A0A087Y3P1_POEFO Loading...

Intraflagellar transport 80 homolog (Chlamydomonas)

AlphaFold DB , UniProt , Accession A0A087Y3P1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 778 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
1M90.1Very high89.8Confident71 Ų7186.8 Ų86.835%0.3543%0.427SS..  0146.90-62.9-168.9-179.100108.9L254 Y262 V298 V299 E300 Q301M1-L254 HydrophobicContact CB-CD2 4.43Å; M1-Y262 HydrophobicContact CB-CD1 3.82Å; M1-Y262 HydrophobicContact CB-CE1 4.18Å; M1-Y262 HydrophobicContact CB-CG 4.21Å; M1-Y262 HydrophobicContact CG-CD1 4.4Å; M1-Y262 HydrophobicContact CG-CE1 4.26Å; M1-Y262 HydrophobicContact SD-CE1 4.46Å; M1-V298 HydrophobicContact CB-CG1 4.46Å; M1-V298 HydrophobicContact SD-CG1 4.18Å; M1-V299 CarbonylContact C-O 3.57Å; M1-V299 WeakPolarHBondContact CA-O 3.46Å; M1-E300 WeakPolarHBondContact CA-O 3.38Å; M1-E300 PolarHBondContact N-O 3.05Å; M1-Q301 HydrophobicContact CE-CB 3.8Å; M1-Q301 HydrophobicContact CE-CG 3.55Å; M1-Q301 HydrophobicContact CG-CB 4.29Å; M1-Q301 HydrophobicContact CG-CG 3.9Å; M1-Q301 HydrophobicContact SD-CG 3.81Å
2R92.2Very high90Very high102 Ų10288.6 Ų88.639%0.38543%0.431SS..EExtended strand (participates in β ladder)trans-148.1166.1170.166171.2172161.5-11.3111.3A263 V299 E300R2-A263 HydrophobicContact CB-CB 3.83Å; R2-V299 HydrophobicContact CG-CG2 3.55Å; R2-V299 PolarHBondContact N-O 3.17Å; R2-V299 PolarHBondContact O-N 3.11Å; R2-E300 WeakPolarHBondContact CD-OE2 3.28Å; R2-E300 HydrophobicContact CG-CB 4.48Å; R2-E300 HydrophobicContact CG-CG 4.46Å; R2-E300 WeakPolarHBondContact CG-OE2 3.24Å; R2-E300 IonicContact CZ-OE1 3.7Å; R2-E300 IonicContact NE-OE1 3.25Å; R2-E300 PolarHBondContact NE-OE1 3.07Å; R2-E300 IonicContact NE-OE2 3.14Å; R2-E300 PolarHBondContact NE-OE2 3.24Å; R2-E300 IonicContact NH2-OE1 3.73Å; R2-E300 PolarHBondContact NH2-OE1 3.09Å
3L92.9Very high90.3Very high1 Ų182 Ų821%0.00540%0.399CS..EExtended strand (participates in β ladder)trans-91.1117.6169-74.4173.4000109.7T5 L252 L254 E265 L284 A296 V298L3-T5 PolarHBondContact O-N 3.22Å; L3-L252 HydrophobicContact CD1-CD2 3.97Å; L3-L252 HydrophobicContact CD1-CG 3.92Å; L3-L254 HydrophobicContact CD1-CB 3.81Å; L3-L254 HydrophobicContact CD2-CD1 4.35Å; L3-L254 HydrophobicContact CD2-CD2 4.36Å; L3-L254 HydrophobicContact CG-CB 3.81Å; L3-L254 HydrophobicContact CG-CD1 4.41Å; L3-L254 HydrophobicContact CG-CD2 4.12Å; L3-L254 HydrophobicContact CG-CG 4.34Å; L3-E265 HydrophobicContact CB-CG 4.17Å; L3-L284 HydrophobicContact CD1-CD2 4.15Å; L3-A296 HydrophobicContact CB-CB 4.17Å; L3-A296 HydrophobicContact CD1-CB 4.5Å; L3-A296 HydrophobicContact CD2-CB 3.93Å; L3-A296 HydrophobicContact CG-CB 4.4Å; L3-V298 HydrophobicContact CD2-CG2 4.16Å
4K93Very high90.4Very high94 Ų9488.9 Ų88.941%0.40943%0.426SS..EExtended strand (participates in β ladder)trans-89.1103.3167.7-178.4169.1176.5-179.10109A296 H297 V299K4-A296 WeakPolarHBondContact O-CA 3.39Å; K4-H297 VanDerWaalsContact CB-CE1 3.45Å; K4-H297 WeakPolarHBondContact CB-CE1 3.32Å; K4-H297 VanDerWaalsContact CG-CE1 3.44Å; K4-H297 WeakPolarHBondContact CG-CE1 3.21Å; K4-H297 PolarHBondContact N-O 3.09Å; K4-H297 PolarHBondContact O-N 3.4Å; K4-H297 VanDerWaalsContact O-N 3.17Å; K4-H297 PolarHBondContact O-ND1 3.27Å; K4-V299 HydrophobicContact CB-CG1 4.28Å; K4-V299 HydrophobicContact CB-CG2 3.87Å
5T92.6Very high90.6Very high47 Ų4790.3 Ų90.329%0.28843%0.432SS..EExtended strand (participates in β ladder)trans-79.9144-179.657.30000112L3 L252 E265 I294 F295 A296L3-T5 PolarHBondContact O-N 3.22Å; T5-L252 HydrophobicContact CG2-CD2 4.35Å; T5-E265 HydrophobicContact CG2-CB 3.99Å; T5-E265 HydrophobicContact CG2-CG 3.99Å; T5-I294 HydrophobicContact CG2-CD1 3.81Å; T5-I294 HydrophobicContact CG2-CG1 4.46Å; T5-F295 CarbonylContact C-O 3.58Å; T5-F295 WeakPolarHBondContact CA-O 3.43Å; T5-A296 HydrophobicContact CG2-CB 4.14Å
6S90.2Very high90.8Very high65 Ų6587.2 Ų87.246%0.45542%0.418SS..EExtended strand (participates in β ladder)trans-129.6126169530000109.2F295S6-F295 PolarHBondContact N-O 2.96Å; S6-F295 PolarHBondContact O-N 3.01Å; S6-F295 VanDerWaalsContact O-N 3.13Å; S6-F295 WeakPolarHBondContact OG-CB 3.46Å; S6-F295 PolarHBondContact OG-O 3.5Å
7L88.6Confident91.1Very high70 Ų7082.1 Ų82.137%0.36639%0.393SS..  trans-126.2135.5179.4-167.372.7000108.3T269 H292 I294L7-T269 HydrophobicContact CD1-CG2 3.77Å; L7-T269 HydrophobicContact CD2-CG2 3.95Å; L7-H292 HydrophobicContact CD1-CB 3.69Å; L7-I294 HydrophobicContact CD1-CB 4.24Å; L7-I294 HydrophobicContact CD1-CG1 4.49Å
8L86.7Confident91.4Very high81 Ų8178.1 Ų78.142%0.42438%0.375SS..  trans-68.4150.7170.7-68-177.9000110.4E10 K12 W40 H292L8-E10 VanDerWaalsContact C-N 3.29Å; L8-E10 WeakPolarHBondContact CB-O 3.48Å; L8-E10 PolarHBondContact O-N 3.07Å; L8-K12 HydrophobicContact CD1-CG 3.95Å; L8-W40 HydrophobicContact CD1-CH2 4.34Å; L8-W40 HydrophobicContact CD1-CZ3 3.74Å; L8-H292 PolarHBondContact O-CE1 2.82Å; L8-H292 PolarHBondContact O-ND1 2.86Å
9K84.6Confident91.6Very high212 Ų21273.9 Ų73.992%0.92236%0.356SS*.SBendtrans-62.6-37.1177.6-71.3-175177.9-178.20112.7
10E86.9Confident91.9Very high154 Ų15470.3 Ų70.372%0.7234%0.338SS*.SBendtrans-122.6142.4178.8-67.6179.4178.400109.5L8L8-E10 VanDerWaalsContact C-N 3.29Å; L8-E10 WeakPolarHBondContact CB-O 3.48Å; L8-E10 PolarHBondContact O-N 3.07Å
11P90.5Very high92Very high58 Ų5867.2 Ų67.238%0.37732%0.324SS..  trans-68.8143.8175.829.2-31.9000109.9H13 G291 H292P11-H13 WeakPolarHBondContact CB-O 3.47Å; P11-G291 WeakPolarHBondContact CB-O 3.48Å; P11-H292 WeakPolarHBondContact CD-NE2 3.2Å; P11-H292 VanDerWaalsContact N-CE1 3.34Å
12K91.6Very high92.2Very high108 Ų10864.8 Ų64.847%0.4731%0.311SS..SBendtrans-86-29.2173.8-69.3-64-169.7-179.10112.3L8 L38 W40L8-K12 HydrophobicContact CD1-CG 3.95Å; K12-L38 HydrophobicContact CB-CD1 3.79Å; K12-W40 HydrophobicContact CB-CH2 3.7Å; K12-W40 HydrophobicContact CB-CZ2 4.16Å; K12-W40 HydrophobicContact CG-CH2 3.63Å; K12-W40 HydrophobicContact CG-CZ2 4.49Å; K12-W40 HydrophobicContact CG-CZ3 4.06Å
13H93.9Very high92Very high3 Ų360.5 Ų60.51%0.01430%0.297CS..SBendtrans-86.1148.6169.6-71.9-72.9000110.3P11 V17 S30 S32 D34 Q36 L38P11-H13 WeakPolarHBondContact CB-O 3.47Å; H13-V17 HydrophobicContact CB-CG2 4.12Å; H13-S30 PolarHBondContact NE2-OG 2.93Å; H13-S32 VanDerWaalsContact CE1-CB 3.5Å; H13-S32 WeakPolarHBondContact CE1-CB 3.28Å; H13-S32 VanDerWaalsContact CG-CB 3.46Å; H13-S32 WeakPolarHBondContact ND1-CB 3.42Å; H13-D34 VanDerWaalsContact CA-OD2 3.3Å; H13-D34 WeakPolarHBondContact CA-OD2 3.15Å; H13-D34 WeakPolarHBondContact CB-OD2 3.41Å; H13-D34 IonicContact CE1-OD1 2.76Å; H13-D34 IonicContact CG-OD2 2.89Å; H13-D34 IonicContact ND1-OD1 2.68Å; H13-D34 PolarHBondContact ND1-OD1 3.18Å; H13-D34 IonicContact ND1-OD2 3.01Å; H13-D34 PolarHBondContact ND1-OD2 3.32Å; H13-Q36 PolarHBondContact CE1-O 3.4Å; H13-L38 VanDerWaalsContact CE1-CG 3.46Å; H13-L38 WeakPolarHBondContact CE1-CG 3.43Å
14K91.5Very high91.7Very high178 Ų17862.6 Ų62.677%0.77431%0.309SS*.SBendtrans-85-32.6178.1-67.3-175.7178.7-176.40112.7D34K14-D34 HydrophobicContact CB-CB 4.32Å; K14-D34 PolarHBondContact N-OD2 2.97Å; K14-D34 VanDerWaalsContact N-OD2 3.07Å
15E93.4Very high91.3Very high111 Ų11158.8 Ų58.852%0.51930%0.296SS..SBendtrans-113.9-178.4-179.4-63.7-62.3160.600110S32 E33 D34 G291E15-S32 PolarHBondContact O-OG 3.18Å; E15-E33 HydrophobicContact CB-CB 4.06Å; E15-D34 HydrophobicContact CB-CB 4.16Å; E15-D34 HydrophobicContact CG-CB 4.2Å; E15-G291 WeakPolarHBondContact O-CA 3.24Å
16L94.3Very high91Very high40 Ų4058.1 Ų58.121%0.20929%0.29CS..  trans-58144.7-179.973.486.5000112.2S32 E33 G289L16-S32 VanDerWaalsContact O-CA 3.3Å; L16-S32 WeakPolarHBondContact O-CA 3.44Å; L16-S32 VanDerWaalsContact O-CB 3.26Å; L16-S32 WeakPolarHBondContact O-CB 3.49Å; L16-S32 PolarHBondContact O-OG 3.46Å; L16-E33 HydrophobicContact CD1-CG 3.72Å; L16-E33 VanDerWaalsContact CD2-CD 3.44Å; L16-E33 HydrophobicContact CD2-CG 4.39Å; L16-E33 WeakPolarHBondContact CD2-OE1 3.49Å; L16-E33 VanDerWaalsContact CD2-OE2 3.25Å; L16-E33 WeakPolarHBondContact CD2-OE2 3.33Å; L16-E33 HydrophobicContact CG-CB 4.3Å; L16-E33 HydrophobicContact CG-CG 3.78Å; L16-E33 WeakPolarHBondContact CG-OE2 3.37Å; L16-E33 PolarHBondContact O-N 3.27Å; L16-E33 VanDerWaalsContact O-N 3.12Å; L16-G289 WeakPolarHBondContact CB-O 3.46Å
17V96.7Very high91.1Very high0 Ų056.5 Ų56.50%028%0.276CS..EExtended strand (participates in β ladder)trans-90.9120.3171.6-169.40000107.6H13 V20 C31 A287 C288 G291 H292 V293H13-V17 HydrophobicContact CB-CG2 4.12Å; V17-V20 HydrophobicContact CG1-CG1 4.26Å; V17-C31 VanDerWaalsContact CG1-O 3.24Å; V17-C31 WeakPolarHBondContact CG1-O 3.22Å; V17-A287 HydrophobicContact CB-CB 4.05Å; V17-A287 HydrophobicContact CG1-CB 3.74Å; V17-A287 WeakPolarHBondContact O-CB 3.25Å; V17-C288 PolarHBondContact N-O 2.84Å; V17-C288 VanDerWaalsContact N-O 3.09Å; V17-G291 WeakPolarHBondContact CG2-O 3.46Å; V17-H292 WeakPolarHBondContact CG2-O 3.28Å; V17-V293 HydrophobicContact CG1-CG2 4.17Å; V17-V293 HydrophobicContact CG2-CG2 4.19Å
18S95.1Very high91.4Very high10 Ų1053.2 Ų53.27%0.0726%0.258CS..EExtended strand (participates in β ladder)trans-87.3-43-175.756.30000112.1C31 P59 N274S18-C31 PolarHBondContact N-O 2.92Å; S18-C31 PolarHBondContact OG-O 3.38Å; S18-P59 WeakPolarHBondContact CB-O 3.49Å; S18-P59 PolarHBondContact OG-O 3.04Å; S18-N274 WeakPolarHBondContact O-CB 3.22Å
19C95.9Very high91.9Very high0 Ų049.4 Ų49.40%024%0.238CC..EExtended strand (participates in β ladder)trans-147.7155.7-177.560.20000114C31 L62 N274C19-C31 PolarHBondContact N-O 3.11Å; C19-C31 PolarHBondContact O-N 3.08Å; C19-L62 HydrophobicContact CB-CB 4.12Å; C19-L62 VanDerWaalsContact SG-CB 3.56Å; C19-N274 HydrophobicContact CB-CB 4.28Å
20V97Very high92.5Very high1 Ų139.3 Ų39.31%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-136.5152.6179.2-73.40000109.6V17 L28 Y29 N274 A276 A285 A287 V293V17-V20 HydrophobicContact CG1-CG1 4.26Å; V20-L28 HydrophobicContact CB-CD1 4.26Å; V20-L28 HydrophobicContact CB-CD2 4.41Å; V20-L28 HydrophobicContact CG1-CD2 4.3Å; V20-Y29 CarbonylContact C-O 3.49Å; V20-Y29 VanDerWaalsContact CA-O 3.25Å; V20-Y29 WeakPolarHBondContact CA-O 3.38Å; V20-N274 HydrophobicContact CG2-CB 4.49Å; V20-N274 PolarHBondContact O-OD1 2.9Å; V20-A276 HydrophobicContact CG2-CB 4.1Å; V20-A285 HydrophobicContact CG2-CB 4.27Å; V20-A287 HydrophobicContact CG1-CB 3.96Å; V20-A287 HydrophobicContact CG2-CB 4.23Å; V20-V293 HydrophobicContact CG1-CG1 4.16Å; V20-V293 HydrophobicContact CG1-CG2 4.4Å
21G95Very high92.9Very high5 Ų532 Ų325%0.05216%0.16CC..EExtended strand (participates in β ladder)trans-161.6138.8173.300000113.6Y29 W64G21-Y29 PolarHBondContact N-O 3.45Å; G21-Y29 PolarHBondContact O-N 3.36Å; G21-W64 PolarHBondContact O-NE1 3.41Å; G21-W64 VanDerWaalsContact O-NE1 3.14Å
22W92.9Very high93.2Very high20 Ų2029.2 Ų29.28%0.07614%0.142CC..EExtended strand (participates in β ladder)trans-86134.4-179.7-65.893.3000111.3T24 A25 L28 L42 A276 Q283 A285 F295W22-T24 VanDerWaalsContact CE3-O 3.24Å; W22-A25 WeakPolarHBondContact CZ3-O 3.47Å; W22-L28 HydrophobicContact CB-CD1 4.46Å; W22-L28 HydrophobicContact CD2-CB 4.17Å; W22-L28 HydrophobicContact CD2-CD1 3.52Å; W22-L28 HydrophobicContact CD2-CG 4.47Å; W22-L28 HydrophobicContact CE3-CB 3.91Å; W22-L28 HydrophobicContact CE3-CD1 4.14Å; W22-L28 HydrophobicContact CG-CD1 3.63Å; W22-L28 HydrophobicContact CH2-CB 4.44Å; W22-L28 HydrophobicContact CZ2-CD1 4.21Å; W22-L28 HydrophobicContact CZ3-CB 4.08Å; W22-L42 HydrophobicContact CH2-CD1 3.78Å; W22-L42 HydrophobicContact CH2-CD2 3.76Å; W22-L42 HydrophobicContact CH2-CG 4.43Å; W22-L42 HydrophobicContact CZ3-CD1 3.63Å; W22-L42 HydrophobicContact CZ3-CD2 4.31Å; W22-A276 VanDerWaalsContact CD1-O 3.25Å; W22-A276 PolarHBondContact NE1-O 3.48Å; W22-Q283 HydrophobicContact CH2-CB 4.22Å; W22-Q283 HydrophobicContact CZ2-CB 4.15Å; W22-A285 HydrophobicContact CZ2-CB 3.83Å; W22-F295 HydrophobicContact CH2-CD1 4.02Å; W22-F295 HydrophobicContact CH2-CE1 4.11Å; W22-F295 HydrophobicContact CZ2-CD1 4.11Å; W22-F295 HydrophobicContact CZ2-CE1 4.34Å
23T89Confident93.3Very high12 Ų1227.5 Ų27.57%0.07414%0.136CC..SBendtrans-97.6-33.8169.7-175.20000111.8E27 Y29 K67T23-E27 HydrophobicContact CG2-CB 3.36Å; T23-E27 HydrophobicContact CG2-CG 4.38Å; T23-E27 WeakPolarHBondContact CG2-O 3.45Å; T23-E27 WeakPolarHBondContact CG2-OE2 3.35Å; T23-E27 PolarHBondContact N-O 2.93Å; T23-Y29 HydrophobicContact CG2-CD2 4.28Å; T23-Y29 HydrophobicContact CG2-CE2 3.81Å; T23-K67 PolarHBondContact O-NZ 3.5Å
24T85.3Confident93.3Very high45 Ų4528.2 Ų28.228%0.27614%0.14SC..SBendtrans-137.6178.1169.666.90000107.8W22 D26 E27W22-T24 VanDerWaalsContact CE3-O 3.24Å; T24-D26 PolarHBondContact O-N 2.91Å; T24-D26 PolarHBondContact OG1-N 3.49Å; T24-E27 WeakPolarHBondContact OG1-CB 3.39Å; T24-E27 PolarHBondContact OG1-N 2.98Å; T24-E27 VanDerWaalsContact OG1-N 3.09Å
25A84.6Confident93.5Very high15 Ų1520.8 Ų20.812%0.12411%0.108CC..SBendtrans-71.7-4.5176.900000114.3W22 D280 Q283W22-A25 WeakPolarHBondContact CZ3-O 3.47Å; A25-D280 WeakPolarHBondContact CB-OD2 3.48Å; A25-Q283 PolarHBondContact O-NE2 3.29Å
26D87.8Confident93.6Very high32 Ų3216.9 Ų16.917%0.1719%0.09CC..SBendtrans-124.4-11.6-178.5-60.1-44.1000113.5T24 N41 L42 L43 R336T24-D26 PolarHBondContact O-N 2.91Å; T24-D26 PolarHBondContact OG1-N 3.49Å; D26-N41 WeakPolarHBondContact O-CA 3.4Å; D26-L42 WeakPolarHBondContact O-CD1 3.32Å; D26-L42 PolarHBondContact O-N 3.48Å; D26-L43 HydrophobicContact CB-CD1 3.8Å; D26-L43 HydrophobicContact CB-CG 3.75Å; D26-R336 IonicContact OD1-CZ 2.8Å; D26-R336 IonicContact OD1-NH1 3.29Å; D26-R336 PolarHBondContact OD1-NH1 3.24Å; D26-R336 IonicContact OD1-NH2 3.64Å
27E91.9Very high93.6Very high32 Ų3215 Ų1515%0.158%0.08CC..EExtended strand (participates in β ladder)trans-114.9117.2177.8-64.5-171.314400110.5T23 T24 K39 W40 K94T23-E27 HydrophobicContact CG2-CB 3.36Å; T23-E27 HydrophobicContact CG2-CG 4.38Å; T23-E27 WeakPolarHBondContact CG2-O 3.45Å; T23-E27 WeakPolarHBondContact CG2-OE2 3.35Å; T23-E27 PolarHBondContact N-O 2.93Å; T24-E27 WeakPolarHBondContact OG1-CB 3.39Å; T24-E27 PolarHBondContact OG1-N 2.98Å; T24-E27 VanDerWaalsContact OG1-N 3.09Å; E27-K39 WeakPolarHBondContact OE1-CE 3.49Å; E27-K39 IonicContact OE1-NZ 3.6Å; E27-K39 PolarHBondContact OE1-NZ 3.23Å; E27-W40 WeakPolarHBondContact CA-O 3.38Å; E27-K94 VanDerWaalsContact OE2-CE 3.23Å; E27-K94 WeakPolarHBondContact OE2-CE 3.49Å; E27-K94 IonicContact OE2-NZ 2.96Å; E27-K94 PolarHBondContact OE2-NZ 3.39Å
28L95.6Very high93.6Very high0 Ų015.5 Ų15.50%08%0.083CC..EExtended strand (participates in β ladder)trans-113.9146.4175.3-177.982000110.4V20 W22 K39 W40 A285 V293 F295V20-L28 HydrophobicContact CB-CD1 4.26Å; V20-L28 HydrophobicContact CB-CD2 4.41Å; V20-L28 HydrophobicContact CG1-CD2 4.3Å; W22-L28 HydrophobicContact CB-CD1 4.46Å; W22-L28 HydrophobicContact CD2-CB 4.17Å; W22-L28 HydrophobicContact CD2-CD1 3.52Å; W22-L28 HydrophobicContact CD2-CG 4.47Å; W22-L28 HydrophobicContact CE3-CB 3.91Å; W22-L28 HydrophobicContact CE3-CD1 4.14Å; W22-L28 HydrophobicContact CG-CD1 3.63Å; W22-L28 HydrophobicContact CH2-CB 4.44Å; W22-L28 HydrophobicContact CZ2-CD1 4.21Å; W22-L28 HydrophobicContact CZ3-CB 4.08Å; L28-K39 CarbonylContact O-C 3.54Å; L28-K39 WeakPolarHBondContact O-CA 3.18Å; L28-W40 HydrophobicContact CB-CB 4.18Å; L28-W40 PolarHBondContact N-O 3.26Å; L28-W40 PolarHBondContact O-N 3.48Å; L28-A285 HydrophobicContact CD1-CB 3.59Å; L28-A285 HydrophobicContact CD2-CB 3.49Å; L28-A285 VanDerWaalsContact CD2-CB 3.49Å; L28-A285 HydrophobicContact CG-CB 4.19Å; L28-V293 HydrophobicContact CD2-CG1 3.68Å; L28-F295 HydrophobicContact CB-CE1 4.09Å; L28-F295 HydrophobicContact CD2-CD1 4.34Å; L28-F295 HydrophobicContact CD2-CE1 3.33Å; L28-F295 HydrophobicContact CD2-CZ 3.56Å; L28-F295 HydrophobicContact CG-CE1 4.26Å
29Y96.3Very high93.7Very high1 Ų117.7 Ų17.70%0.0049%0.091CC..EExtended strand (participates in β ladder)trans-113.7137.3168.4-72.3-117.4000109.6V20 G21 T23 I37 L38 K39 V50 W64 K94V20-Y29 CarbonylContact C-O 3.49Å; V20-Y29 VanDerWaalsContact CA-O 3.25Å; V20-Y29 WeakPolarHBondContact CA-O 3.38Å; G21-Y29 PolarHBondContact N-O 3.45Å; G21-Y29 PolarHBondContact O-N 3.36Å; T23-Y29 HydrophobicContact CG2-CD2 4.28Å; T23-Y29 HydrophobicContact CG2-CE2 3.81Å; Y29-I37 HydrophobicContact CD1-CG2 3.95Å; Y29-L38 VanDerWaalsContact CA-O 3.31Å; Y29-L38 WeakPolarHBondContact CA-O 3.35Å; Y29-K39 HydrophobicContact CE1-CB 4.27Å; Y29-K39 HydrophobicContact CE2-CB 4.49Å; Y29-K39 HydrophobicContact CE2-CD 4.39Å; Y29-K39 HydrophobicContact CE2-CG 4.01Å; Y29-V50 HydrophobicContact CD1-CG2 4.08Å; Y29-V50 HydrophobicContact CE1-CB 4.48Å; Y29-V50 HydrophobicContact CE1-CG1 4.16Å; Y29-V50 HydrophobicContact CE1-CG2 3.67Å; Y29-W64 HydrophobicContact CD1-CZ2 4.15Å; Y29-W64 HydrophobicContact CD2-CH2 4.3Å; Y29-W64 AromaticContact CD2-CZ2 3.47Å; Y29-W64 HydrophobicContact CD2-CZ2 3.47Å; Y29-W64 VanDerWaalsContact CD2-CZ2 3.47Å; Y29-W64 HydrophobicContact CE1-CZ2 4.38Å; Y29-W64 HydrophobicContact CE2-CH2 4.17Å; Y29-W64 AromaticContact CE2-CZ2 3.77Å; Y29-W64 HydrophobicContact CE2-CZ2 3.77Å; Y29-W64 AromaticContact CG-CZ2 3.71Å; Y29-W64 HydrophobicContact CG-CZ2 3.71Å; Y29-K94 WeakPolarHBondContact OH-CG 3.26Å; Y29-K94 PolarHBondContact OH-O 3.22Å
30S96.9Very high93.6Very high0 Ų018.3 Ų18.30%09%0.093CC..EExtended strand (participates in β ladder)trans-121.3144.7171.262.20000110.4H13 I37 L38 W40H13-S30 PolarHBondContact NE2-OG 2.93Å; S30-I37 WeakPolarHBondContact O-CA 3.34Å; S30-L38 PolarHBondContact N-O 3.32Å; S30-L38 PolarHBondContact O-N 3.47Å; S30-W40 PolarHBondContact OG-NE1 3.32Å
31C96.5Very high93.4Very high0 Ų019.9 Ų19.90%010%0.102CC..EExtended strand (participates in β ladder)trans-123.5139.2174.4-54.80000109.1V17 S18 C19 P59 L62 L82V17-C31 VanDerWaalsContact CG1-O 3.24Å; V17-C31 WeakPolarHBondContact CG1-O 3.22Å; S18-C31 PolarHBondContact N-O 2.92Å; S18-C31 PolarHBondContact OG-O 3.38Å; C19-C31 PolarHBondContact N-O 3.11Å; C19-C31 PolarHBondContact O-N 3.08Å; C31-P59 HydrophobicContact CB-CB 3.74Å; C31-P59 HydrophobicContact CB-CG 3.71Å; C31-L62 VanDerWaalsContact SG-CD1 3.55Å; C31-L82 HydrophobicContact CB-CD1 4.34Å
32S95.9Very high93Very high0 Ų020.8 Ų20.80%011%0.105CC..EExtended strand (participates in β ladder)trans-134.6161.4-175.7170.30000110.7H13 E15 L16 D34 H35 Q36 P59H13-S32 VanDerWaalsContact CE1-CB 3.5Å; H13-S32 WeakPolarHBondContact CE1-CB 3.28Å; H13-S32 VanDerWaalsContact CG-CB 3.46Å; H13-S32 WeakPolarHBondContact ND1-CB 3.42Å; E15-S32 PolarHBondContact O-OG 3.18Å; L16-S32 VanDerWaalsContact O-CA 3.3Å; L16-S32 WeakPolarHBondContact O-CA 3.44Å; L16-S32 VanDerWaalsContact O-CB 3.26Å; L16-S32 WeakPolarHBondContact O-CB 3.49Å; L16-S32 PolarHBondContact O-OG 3.46Å; S32-D34 VanDerWaalsContact CB-OD1 3.25Å; S32-D34 WeakPolarHBondContact CB-OD1 3.24Å; S32-D34 PolarHBondContact O-N 2.71Å; S32-D34 PolarHBondContact OG-N 3.2Å; S32-D34 PolarHBondContact OG-OD1 3.21Å; S32-H35 PolarHBondContact O-N 3.47Å; S32-Q36 PolarHBondContact N-O 2.99Å; S32-P59 WeakPolarHBondContact O-CG 3.36Å
33E94.2Very high92.6Very high72 Ų7225.1 Ų25.134%0.33613%0.129SC..THydrogen-bonded Turntrans-66.9-7.8171.8-66-172.4175.200113.3E15 L16 H35 Y58E15-E33 HydrophobicContact CB-CB 4.06Å; L16-E33 HydrophobicContact CD1-CG 3.72Å; L16-E33 VanDerWaalsContact CD2-CD 3.44Å; L16-E33 HydrophobicContact CD2-CG 4.39Å; L16-E33 WeakPolarHBondContact CD2-OE1 3.49Å; L16-E33 VanDerWaalsContact CD2-OE2 3.25Å; L16-E33 WeakPolarHBondContact CD2-OE2 3.33Å; L16-E33 HydrophobicContact CG-CB 4.3Å; L16-E33 HydrophobicContact CG-CG 3.78Å; L16-E33 WeakPolarHBondContact CG-OE2 3.37Å; L16-E33 PolarHBondContact O-N 3.27Å; L16-E33 VanDerWaalsContact O-N 3.12Å; E33-H35 PolarHBondContact O-N 3.35Å; E33-H35 VanDerWaalsContact O-N 3.13Å; E33-Y58 HydrophobicContact CB-CD1 4.24Å; E33-Y58 HydrophobicContact CG-CD1 4.31Å
34D94.4Very high92.5Very high19 Ų1928 Ų2810%0.10214%0.144CC..THydrogen-bonded Turntrans-7510.8168.370.65.1000113.9H13 K14 E15 S32 Q36H13-D34 VanDerWaalsContact CA-OD2 3.3Å; H13-D34 WeakPolarHBondContact CA-OD2 3.15Å; H13-D34 WeakPolarHBondContact CB-OD2 3.41Å; H13-D34 IonicContact CE1-OD1 2.76Å; H13-D34 IonicContact CG-OD2 2.89Å; H13-D34 IonicContact ND1-OD1 2.68Å; H13-D34 PolarHBondContact ND1-OD1 3.18Å; H13-D34 IonicContact ND1-OD2 3.01Å; H13-D34 PolarHBondContact ND1-OD2 3.32Å; K14-D34 HydrophobicContact CB-CB 4.32Å; K14-D34 PolarHBondContact N-OD2 2.97Å; K14-D34 VanDerWaalsContact N-OD2 3.07Å; E15-D34 HydrophobicContact CB-CB 4.16Å; E15-D34 HydrophobicContact CG-CB 4.2Å; S32-D34 VanDerWaalsContact CB-OD1 3.25Å; S32-D34 WeakPolarHBondContact CB-OD1 3.24Å; S32-D34 PolarHBondContact O-N 2.71Å; S32-D34 PolarHBondContact OG-N 3.2Å; S32-D34 PolarHBondContact OG-OD1 3.21Å; D34-Q36 PolarHBondContact O-N 3.48Å; D34-Q36 VanDerWaalsContact OD1-CB 3.26Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.34Å; D34-Q36 PolarHBondContact OD1-N 2.98Å
35H94.3Very high92.4Very high21 Ų2132.3 Ų32.310%0.09717%0.166CC..SBendtrans58.624.3-176.6-53-77.3000113.8S32 E33 R52 L53 D55 I57 Y58S32-H35 PolarHBondContact O-N 3.47Å; E33-H35 PolarHBondContact O-N 3.35Å; E33-H35 VanDerWaalsContact O-N 3.13Å; H35-R52 CarbonylContact O-C 3.56Å; H35-R52 WeakPolarHBondContact O-CA 3.43Å; H35-L53 HydrophobicContact CB-CB 4.26Å; H35-L53 PolarHBondContact O-N 3.06Å; H35-D55 PolarHBondContact CE1-O 3.4Å; H35-I57 PolarHBondContact ND1-O 3.31Å; H35-Y58 AromaticContact CE1-CD1 3.72Å; H35-Y58 AromaticContact CE1-CD2 3.94Å; H35-Y58 AromaticContact CE1-CE1 3.38Å; H35-Y58 WeakPolarHBondContact CE1-CE1 3.47Å; H35-Y58 AromaticContact CE1-CE2 3.6Å; H35-Y58 AromaticContact CE1-CG 3.98Å; H35-Y58 AromaticContact CE1-CZ 3.3Å; H35-Y58 AromaticContact NE2-CE1 3.54Å; H35-Y58 AromaticContact NE2-CZ 3.5Å; H35-Y58 PolarHBondContact NE2-OH 3.18Å
36Q95.3Very high92.7Very high29 Ų2937.5 Ų37.514%0.13619%0.187CC..EExtended strand (participates in β ladder)trans-110.9140.3178.1-61.1177.429.800112.1H13 S32 D34 L38 L49 R52H13-Q36 PolarHBondContact CE1-O 3.4Å; S32-Q36 PolarHBondContact N-O 2.99Å; D34-Q36 PolarHBondContact O-N 3.48Å; D34-Q36 VanDerWaalsContact OD1-CB 3.26Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.34Å; D34-Q36 PolarHBondContact OD1-N 2.98Å; Q36-L38 HydrophobicContact CB-CD2 4.48Å; Q36-L49 HydrophobicContact CB-CD1 3.8Å; Q36-L49 HydrophobicContact CG-CD1 3.93Å; Q36-R52 VanDerWaalsContact NE2-NH2 3.18Å
37I95.8Very high92.8Very high0 Ų038.6 Ų38.60%020%0.195CC..EExtended strand (participates in β ladder)trans-104.8116.4164.5-54.9-172.3000107.8Y29 S30 V50 V51 L53 F80 L82Y29-I37 HydrophobicContact CD1-CG2 3.95Å; S30-I37 WeakPolarHBondContact O-CA 3.34Å; I37-V50 HydrophobicContact CB-CB 4.41Å; I37-V50 HydrophobicContact CG2-CB 4.22Å; I37-V50 HydrophobicContact CG2-CG2 4.41Å; I37-V50 WeakPolarHBondContact O-CB 3.24Å; I37-V50 PolarHBondContact O-N 3.35Å; I37-V51 HydrophobicContact CB-CG1 3.92Å; I37-V51 HydrophobicContact CD1-CG1 3.76Å; I37-V51 HydrophobicContact CG1-CG1 3.93Å; I37-V51 PolarHBondContact N-O 3.37Å; I37-L53 HydrophobicContact CD1-CD1 4.24Å; I37-L53 HydrophobicContact CD1-CD2 4.04Å; I37-L53 HydrophobicContact CD1-CG 4.28Å; I37-L53 HydrophobicContact CG1-CD1 4.16Å; I37-L53 HydrophobicContact CG1-CG 4.22Å; I37-F80 HydrophobicContact CD1-CE2 4.36Å; I37-F80 HydrophobicContact CD1-CZ 4.06Å; I37-L82 HydrophobicContact CD1-CD2 4.21Å
38L96.4Very high92.9Very high12 Ų1238.7 Ų38.76%0.06321%0.205CC..EExtended strand (participates in β ladder)trans-103.9141.8176.5-59.2-177000110.4K12 H13 Y29 S30 Q36 W40 G48 L49K12-L38 HydrophobicContact CB-CD1 3.79Å; H13-L38 VanDerWaalsContact CE1-CG 3.46Å; H13-L38 WeakPolarHBondContact CE1-CG 3.43Å; Y29-L38 VanDerWaalsContact CA-O 3.31Å; Y29-L38 WeakPolarHBondContact CA-O 3.35Å; S30-L38 PolarHBondContact N-O 3.32Å; S30-L38 PolarHBondContact O-N 3.47Å; Q36-L38 HydrophobicContact CB-CD2 4.48Å; L38-W40 HydrophobicContact CD1-CZ2 4.23Å; L38-G48 CarbonylContact C-O 3.49Å; L38-G48 WeakPolarHBondContact CA-O 3.35Å; L38-L49 HydrophobicContact CD2-CB 4.11Å; L38-L49 HydrophobicContact CD2-CD1 3.8Å
39K95.7Very high92.9Very high55 Ų5543.3 Ų43.324%0.23923%0.229CC..EExtended strand (participates in β ladder)trans-102.7131.5169.7177.6-173.6-179.1-173.50109E27 L28 Y29 T47 G48 V50E27-K39 WeakPolarHBondContact OE1-CE 3.49Å; E27-K39 IonicContact OE1-NZ 3.6Å; E27-K39 PolarHBondContact OE1-NZ 3.23Å; L28-K39 CarbonylContact O-C 3.54Å; L28-K39 WeakPolarHBondContact O-CA 3.18Å; Y29-K39 HydrophobicContact CE1-CB 4.27Å; Y29-K39 HydrophobicContact CE2-CB 4.49Å; Y29-K39 HydrophobicContact CE2-CD 4.39Å; Y29-K39 HydrophobicContact CE2-CG 4.01Å; K39-T47 CarbonylContact O-C 3.54Å; K39-T47 WeakPolarHBondContact O-CA 3.46Å; K39-G48 PolarHBondContact N-O 3.14Å; K39-G48 PolarHBondContact O-N 2.97Å; K39-V50 HydrophobicContact CB-CG2 3.43Å; K39-V50 VanDerWaalsContact CB-CG2 3.43Å
40W94.9Very high92.7Very high13 Ų1345 Ų455%0.04924%0.239CC..EExtended strand (participates in β ladder)trans-113.8126.1177.8-49.873.7000108.5L8 K12 E27 L28 S30 L38 T47 V293 F295L8-W40 HydrophobicContact CD1-CH2 4.34Å; L8-W40 HydrophobicContact CD1-CZ3 3.74Å; K12-W40 HydrophobicContact CB-CH2 3.7Å; K12-W40 HydrophobicContact CB-CZ2 4.16Å; K12-W40 HydrophobicContact CG-CH2 3.63Å; K12-W40 HydrophobicContact CG-CZ2 4.49Å; K12-W40 HydrophobicContact CG-CZ3 4.06Å; E27-W40 WeakPolarHBondContact CA-O 3.38Å; L28-W40 HydrophobicContact CB-CB 4.18Å; L28-W40 PolarHBondContact N-O 3.26Å; L28-W40 PolarHBondContact O-N 3.48Å; S30-W40 PolarHBondContact OG-NE1 3.32Å; L38-W40 HydrophobicContact CD1-CZ2 4.23Å; W40-T47 HydrophobicContact CD2-CG2 3.98Å; W40-T47 HydrophobicContact CE3-CG2 3.32Å; W40-T47 HydrophobicContact CH2-CG2 4.39Å; W40-T47 HydrophobicContact CZ3-CG2 3.57Å; W40-V293 HydrophobicContact CH2-CB 4.2Å; W40-V293 HydrophobicContact CH2-CG2 4.2Å; W40-V293 HydrophobicContact CZ2-CB 3.99Å; W40-V293 HydrophobicContact CZ2-CG2 3.57Å; W40-F295 HydrophobicContact CB-CZ 3.87Å; W40-F295 HydrophobicContact CD2-CE2 4.17Å; W40-F295 AromaticContact CD2-CZ 3.85Å; W40-F295 HydrophobicContact CD2-CZ 3.85Å; W40-F295 AromaticContact CE3-CE2 3.73Å; W40-F295 HydrophobicContact CE3-CE2 3.73Å; W40-F295 AromaticContact CE3-CZ 3.85Å; W40-F295 HydrophobicContact CE3-CZ 3.85Å; W40-F295 AromaticContact CG-CZ 3.85Å; W40-F295 HydrophobicContact CG-CZ 3.85Å; W40-F295 HydrophobicContact CZ3-CE2 4.18Å
41N91.8Very high92.6Very high35 Ų3546.7 Ų46.719%0.18725%0.249CC..EExtended strand (participates in β ladder)trans-111.2113.3172.9-178.6-15.2000109.1D26 L43 N44 N45 E46D26-N41 WeakPolarHBondContact O-CA 3.4Å; N41-L43 VanDerWaalsContact C-N 3.34Å; N41-L43 WeakPolarHBondContact OD1-CB 3.28Å; N41-L43 PolarHBondContact OD1-N 2.87Å; N41-N44 WeakPolarHBondContact CB-OD1 3.31Å; N41-N44 PolarHBondContact ND2-OD1 3.44Å; N41-N44 PolarHBondContact O-OD1 3.04Å; N41-N44 PolarHBondContact OD1-OD1 2.96Å; N41-N45 CarbonylContact O-C 3.59Å; N41-N45 WeakPolarHBondContact O-CA 3.35Å; N41-N45 PolarHBondContact O-N 3.26Å; N41-E46 PolarHBondContact N-O 3.45Å; N41-E46 PolarHBondContact O-N 3.14Å
42L87.6Confident92.5Very high23 Ų2354.1 Ų54.112%0.1228%0.278CS..THydrogen-bonded Turntrans-83.9-8.9-175.5-70.684.2000113.6W22 D26 F295W22-L42 HydrophobicContact CH2-CD1 3.78Å; W22-L42 HydrophobicContact CH2-CD2 3.76Å; W22-L42 HydrophobicContact CH2-CG 4.43Å; W22-L42 HydrophobicContact CZ3-CD1 3.63Å; W22-L42 HydrophobicContact CZ3-CD2 4.31Å; D26-L42 WeakPolarHBondContact O-CD1 3.32Å; D26-L42 PolarHBondContact O-N 3.48Å; L42-F295 HydrophobicContact CD1-CD1 4.31Å; L42-F295 HydrophobicContact CD1-CE1 3.76Å; L42-F295 HydrophobicContact CD1-CZ 4.38Å; L42-F295 HydrophobicContact CD2-CD1 3.69Å; L42-F295 HydrophobicContact CD2-CE1 4Å; L42-F295 HydrophobicContact CD2-CG 4.28Å; L42-F295 HydrophobicContact CG-CD1 4.36Å; L42-F295 HydrophobicContact CG-CE1 4.19Å
43L84.1Confident92.4Very high112 Ų11254.3 Ų54.359%0.58628%0.279SS*.THydrogen-bonded Turntrans-75.7-44.4174.8-70.9164.9000111.1D26 N41D26-L43 HydrophobicContact CB-CD1 3.8Å; D26-L43 HydrophobicContact CB-CG 3.75Å; N41-L43 VanDerWaalsContact C-N 3.34Å; N41-L43 WeakPolarHBondContact OD1-CB 3.28Å; N41-L43 PolarHBondContact OD1-N 2.87Å
44N86.4Confident92.3Very high71 Ų7153.8 Ų53.838%0.3828%0.282SS..THydrogen-bonded Turntrans-107.8-1.6-179.565.11.6000113.7N41 E46N41-N44 WeakPolarHBondContact CB-OD1 3.31Å; N41-N44 PolarHBondContact ND2-OD1 3.44Å; N41-N44 PolarHBondContact O-OD1 3.04Å; N41-N44 PolarHBondContact OD1-OD1 2.96Å; N44-E46 HydrophobicContact CB-CG 4.29Å; N44-E46 PolarHBondContact ND2-OE1 2.96Å; N44-E46 PolarHBondContact ND2-OE2 2.99Å; N44-E46 PolarHBondContact O-N 3.46Å; N44-E46 WeakPolarHBondContact OD1-CB 3.4Å; N44-E46 PolarHBondContact OD1-N 3.32Å
45N84.9Confident92.1Very high137 Ų13758.8 Ų58.873%0.73331%0.308SS*.THydrogen-bonded Turntrans58.527.8-175.4-61.9-35.8000113.9N41N41-N45 CarbonylContact O-C 3.59Å; N41-N45 WeakPolarHBondContact O-CA 3.35Å; N41-N45 PolarHBondContact O-N 3.26Å
46E89.2Confident91.8Very high124 Ų12462.1 Ų62.158%0.57933%0.327SS*.EExtended strand (participates in β ladder)trans-87.2141176.6-69.5174.3-17600111.7N41 N44N41-E46 PolarHBondContact N-O 3.45Å; N41-E46 PolarHBondContact O-N 3.14Å; N44-E46 HydrophobicContact CB-CG 4.29Å; N44-E46 PolarHBondContact ND2-OE1 2.96Å; N44-E46 PolarHBondContact ND2-OE2 2.99Å; N44-E46 PolarHBondContact O-N 3.46Å; N44-E46 WeakPolarHBondContact OD1-CB 3.4Å; N44-E46 PolarHBondContact OD1-N 3.32Å
47T91.6Very high91.7Very high54 Ų5461 Ų6133%0.33132%0.322SS..EExtended strand (participates in β ladder)trans-118.9121173.560.50000109K39 W40K39-T47 CarbonylContact O-C 3.54Å; K39-T47 WeakPolarHBondContact O-CA 3.46Å; W40-T47 HydrophobicContact CD2-CG2 3.98Å; W40-T47 HydrophobicContact CE3-CG2 3.32Å; W40-T47 HydrophobicContact CH2-CG2 4.39Å; W40-T47 HydrophobicContact CZ3-CG2 3.57Å
48G92.6Very high91.7Very high35 Ų3565.4 Ų65.436%0.36134%0.339SS..EExtended strand (participates in β ladder)trans-120.5142.218000000112.2L38 K39 V50L38-G48 CarbonylContact C-O 3.49Å; L38-G48 WeakPolarHBondContact CA-O 3.35Å; K39-G48 PolarHBondContact N-O 3.14Å; K39-G48 PolarHBondContact O-N 2.97Å; G48-V50 PolarHBondContact O-N 2.95Å
49L95.1Very high91.7Very high96 Ų9665 Ų6550%0.50334%0.337SS..EExtended strand (participates in β ladder)trans-72.7123.2167.6177.866.7000109.1Q36 L38Q36-L49 HydrophobicContact CB-CD1 3.8Å; Q36-L49 HydrophobicContact CG-CD1 3.93Å; L38-L49 HydrophobicContact CD2-CB 4.11Å; L38-L49 HydrophobicContact CD2-CD1 3.8Å
50V93.7Very high91.7Very high36 Ų3664.2 Ų64.222%0.21834%0.337CS..EExtended strand (participates in β ladder)trans-86.8-54.5177.2-176.60000109.6Y29 I37 K39 G48Y29-V50 HydrophobicContact CD1-CG2 4.08Å; Y29-V50 HydrophobicContact CE1-CB 4.48Å; Y29-V50 HydrophobicContact CE1-CG1 4.16Å; Y29-V50 HydrophobicContact CE1-CG2 3.67Å; I37-V50 HydrophobicContact CB-CB 4.41Å; I37-V50 HydrophobicContact CG2-CB 4.22Å; I37-V50 HydrophobicContact CG2-CG2 4.41Å; I37-V50 WeakPolarHBondContact O-CB 3.24Å; I37-V50 PolarHBondContact O-N 3.35Å; K39-V50 HydrophobicContact CB-CG2 3.43Å; K39-V50 VanDerWaalsContact CB-CG2 3.43Å; G48-V50 PolarHBondContact O-N 2.95Å
51V94.3Very high91.8Very high36 Ų3663.7 Ų63.722%0.21834%0.335CS..EExtended strand (participates in β ladder)trans-155.8147.3-179.464.30000110.1I37 L53I37-V51 HydrophobicContact CB-CG1 3.92Å; I37-V51 HydrophobicContact CD1-CG1 3.76Å; I37-V51 HydrophobicContact CG1-CG1 3.93Å; I37-V51 PolarHBondContact N-O 3.37Å; V51-L53 HydrophobicContact CG1-CD2 4.39Å
52R94.3Very high92Very high157 Ų15762.2 Ų62.259%0.59233%0.327SS*.EExtended strand (participates in β ladder)trans-96.2117.7162.7-177.8172.1-73.9169.5-2.1107.9H35 Q36H35-R52 CarbonylContact O-C 3.56Å; H35-R52 WeakPolarHBondContact O-CA 3.43Å; Q36-R52 VanDerWaalsContact NE2-NH2 3.18Å
53L92.9Very high92.4Very high4 Ų463.9 Ų63.92%0.02133%0.334CS..PPolyproline II helixtrans-68151.4175.7-62.4172.8000109.7H35 I37 V51 I57 P59 L82 I98H35-L53 HydrophobicContact CB-CB 4.26Å; H35-L53 PolarHBondContact O-N 3.06Å; I37-L53 HydrophobicContact CD1-CD1 4.24Å; I37-L53 HydrophobicContact CD1-CD2 4.04Å; I37-L53 HydrophobicContact CD1-CG 4.28Å; I37-L53 HydrophobicContact CG1-CD1 4.16Å; I37-L53 HydrophobicContact CG1-CG 4.22Å; V51-L53 HydrophobicContact CG1-CD2 4.39Å; L53-I57 HydrophobicContact CB-CB 4.35Å; L53-I57 HydrophobicContact CD1-CG2 4.1Å; L53-P59 HydrophobicContact CD1-CG 4.4Å; L53-L82 HydrophobicContact CD1-CD2 3.91Å; L53-L82 HydrophobicContact CD2-CD2 4.4Å; L53-I98 HydrophobicContact CD2-CD1 4.41Å
54P92.2Very high92.8Very high61 Ų6160 Ų6040%0.39631%0.311SS..PPolyproline II helixtrans-49.7145.8163.4-29.536.3000113D56 I57P54-D56 WeakPolarHBondContact CB-OD1 3.38Å; P54-D56 PolarHBondContact O-N 3.28Å; P54-D56 VanDerWaalsContact O-N 3.09Å; P54-I57 HydrophobicContact CB-CD1 4.21Å; P54-I57 HydrophobicContact CB-CG1 4.26Å; P54-I57 HydrophobicContact CG-CD1 4.02Å; P54-I57 PolarHBondContact O-N 2.93Å
55D90.1Very high93Very high123 Ų12357.7 Ų57.766%0.65830%0.298SS*.THydrogen-bonded Turntrans-65.2-12.6-174.9-59.9-23.3000113.7H35 Y58H35-D55 PolarHBondContact CE1-O 3.4Å; D55-Y58 WeakPolarHBondContact O-CE2 3.5Å
56D89.4Confident93Very high92 Ų9252.6 Ų52.649%0.49227%0.273SS..THydrogen-bonded Turntrans-85.7-12.1174.461.7-41.8000113.5P54P54-D56 WeakPolarHBondContact CB-OD1 3.38Å; P54-D56 PolarHBondContact O-N 3.28Å; P54-D56 VanDerWaalsContact O-N 3.09Å
57I92.9Very high92.1Very high6 Ų652.7 Ų52.73%0.03127%0.271CS..  trans-102.7106.6-175.6-56.6-178.3000109.9H35 L53 P54 I98H35-I57 PolarHBondContact ND1-O 3.31Å; L53-I57 HydrophobicContact CB-CB 4.35Å; L53-I57 HydrophobicContact CD1-CG2 4.1Å; P54-I57 HydrophobicContact CB-CD1 4.21Å; P54-I57 HydrophobicContact CB-CG1 4.26Å; P54-I57 HydrophobicContact CG-CD1 4.02Å; P54-I57 PolarHBondContact O-N 2.93Å; I57-I98 HydrophobicContact CD1-CD1 4.23Å
58Y95.8Very high90.4Very high92 Ų9252.3 Ų52.336%0.36127%0.269SS..  trans-103.5113.6169.9-63.1-98.5000109.5E33 H35 D55 S84 T85E33-Y58 HydrophobicContact CB-CD1 4.24Å; E33-Y58 HydrophobicContact CG-CD1 4.31Å; H35-Y58 AromaticContact CE1-CD1 3.72Å; H35-Y58 AromaticContact CE1-CD2 3.94Å; H35-Y58 AromaticContact CE1-CE1 3.38Å; H35-Y58 WeakPolarHBondContact CE1-CE1 3.47Å; H35-Y58 AromaticContact CE1-CE2 3.6Å; H35-Y58 AromaticContact CE1-CG 3.98Å; H35-Y58 AromaticContact CE1-CZ 3.3Å; H35-Y58 AromaticContact NE2-CE1 3.54Å; H35-Y58 AromaticContact NE2-CZ 3.5Å; H35-Y58 PolarHBondContact NE2-OH 3.18Å; D55-Y58 WeakPolarHBondContact O-CE2 3.5Å; Y58-S84 VanDerWaalsContact O-CA 3.25Å; Y58-S84 WeakPolarHBondContact O-CA 3.49Å; Y58-T85 WeakPolarHBondContact CB-OG1 3.34Å; Y58-T85 PolarHBondContact O-N 2.95Å; Y58-T85 VanDerWaalsContact O-N 3.08Å
59P96.3Very high88.3Confident3 Ų354.1 Ų54.12%0.01927%0.273CS..EExtended strand (participates in β ladder)trans-71138.9-176.227.9-33.2000111.5S18 C31 S32 L53 L82 T83S18-P59 WeakPolarHBondContact CB-O 3.49Å; S18-P59 PolarHBondContact OG-O 3.04Å; C31-P59 HydrophobicContact CB-CB 3.74Å; C31-P59 HydrophobicContact CB-CG 3.71Å; S32-P59 WeakPolarHBondContact O-CG 3.36Å; L53-P59 HydrophobicContact CD1-CG 4.4Å; P59-L82 HydrophobicContact CB-CD1 3.72Å; P59-L82 HydrophobicContact CB-CD2 4.23Å; P59-L82 HydrophobicContact CB-CG 4.18Å; P59-T83 CarbonylContact C-O 3.56Å; P59-T83 WeakPolarHBondContact CA-O 3.47Å
60V96.6Very high85.8Confident39 Ų3953.2 Ų53.224%0.23629%0.287CS..EExtended strand (participates in β ladder)trans-113.3-51.4-180-178.50000112T83 T85V60-T83 PolarHBondContact N-O 2.91Å; V60-T85 HydrophobicContact CG2-CG2 3.68Å
61D96.6Very high82.9Confident1 Ų154.4 Ų54.41%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-143.1148.1-179.1-174.535000110.6T83 G112 R113 N274D61-T83 WeakPolarHBondContact CA-OG1 3.19Å; D61-T83 VanDerWaalsContact CB-OG1 3.31Å; D61-T83 WeakPolarHBondContact CB-OG1 3.41Å; D61-T83 PolarHBondContact N-OG1 3.31Å; D61-T83 PolarHBondContact O-N 3.44Å; D61-T83 PolarHBondContact O-OG1 2.88Å; D61-G112 PolarHBondContact OD2-N 2.9Å; D61-G112 VanDerWaalsContact OD2-N 3.09Å; D61-R113 IonicContact OD1-CZ 2.7Å; D61-R113 IonicContact OD1-NH1 3.66Å; D61-R113 PolarHBondContact OD1-NH1 3.18Å; D61-R113 IonicContact OD1-NH2 3.91Å; D61-R113 PolarHBondContact OD1-NH2 3.48Å; D61-R113 VanDerWaalsContact OD1-NH2 3.14Å; D61-R113 IonicContact OD2-CZ 2.97Å; D61-R113 VanDerWaalsContact OD2-CZ 3.25Å; D61-R113 IonicContact OD2-NH1 3.88Å; D61-R113 PolarHBondContact OD2-NH1 3.41Å; D61-R113 IonicContact OD2-NH2 2.7Å; D61-R113 PolarHBondContact OD2-NH2 2.89Å; D61-N274 PolarHBondContact OD1-ND2 2.94Å
62L95.9Very high80.1Confident5 Ų562 Ų623%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-129.4133.1-176.8178.6152.2000109.3C19 C31 F80 A81 L82 R113C19-L62 HydrophobicContact CB-CB 4.12Å; C19-L62 VanDerWaalsContact SG-CB 3.56Å; C31-L62 VanDerWaalsContact SG-CD1 3.55Å; L62-F80 HydrophobicContact CD1-CD2 3.45Å; L62-F80 VanDerWaalsContact CD1-CD2 3.45Å; L62-F80 HydrophobicContact CD1-CE2 3.45Å; L62-F80 VanDerWaalsContact CD1-CE2 3.45Å; L62-F80 HydrophobicContact CD1-CG 4.2Å; L62-F80 HydrophobicContact CD1-CZ 4.22Å; L62-F80 HydrophobicContact CD2-CD2 4.44Å; L62-F80 HydrophobicContact CG-CB 4.47Å; L62-F80 HydrophobicContact CG-CD2 3.63Å; L62-F80 HydrophobicContact CG-CE2 4.15Å; L62-F80 HydrophobicContact CG-CG 4.27Å; L62-A81 WeakPolarHBondContact CA-O 3.41Å; L62-L82 HydrophobicContact CB-CD1 4.2Å; L62-L82 HydrophobicContact CD1-CD1 4.32Å; L62-R113 PolarHBondContact O-NH1 3.19Å
63H95.3Very high77.3Confident58 Ų5865.1 Ų65.127%0.26935%0.348SS..EExtended strand (participates in β ladder)trans-139.5120.1173.3-163-109.1000111.5F80 A81 G112 W114H63-F80 WeakPolarHBondContact O-CA 3.49Å; H63-F80 WeakPolarHBondContact O-CB 3.47Å; H63-A81 PolarHBondContact N-O 3.39Å; H63-A81 PolarHBondContact O-N 3.29Å; H63-G112 VanDerWaalsContact CB-O 3.24Å; H63-G112 WeakPolarHBondContact CB-O 3.36Å; H63-W114 AromaticContact ND1-CD1 3.49Å; H63-W114 AromaticContact ND1-CG 3.89Å; H63-W114 PolarHBondContact ND1-N 3.01Å; H63-W114 VanDerWaalsContact ND1-N 3.12Å
64W93.8Very high74.7Confident29 Ų2972.7 Ų72.711%0.1138%0.384CS..EExtended strand (participates in β ladder)trans-64.3145.1174.2-77.998.2000111G21 Y29 E78 F80 K94G21-W64 PolarHBondContact O-NE1 3.41Å; G21-W64 VanDerWaalsContact O-NE1 3.14Å; Y29-W64 HydrophobicContact CD1-CZ2 4.15Å; Y29-W64 HydrophobicContact CD2-CH2 4.3Å; Y29-W64 AromaticContact CD2-CZ2 3.47Å; Y29-W64 HydrophobicContact CD2-CZ2 3.47Å; Y29-W64 VanDerWaalsContact CD2-CZ2 3.47Å; Y29-W64 HydrophobicContact CE1-CZ2 4.38Å; Y29-W64 HydrophobicContact CE2-CH2 4.17Å; Y29-W64 AromaticContact CE2-CZ2 3.77Å; Y29-W64 HydrophobicContact CE2-CZ2 3.77Å; Y29-W64 AromaticContact CG-CZ2 3.71Å; Y29-W64 HydrophobicContact CG-CZ2 3.71Å; W64-E78 HydrophobicContact CZ3-CB 4.47Å; W64-F80 HydrophobicContact CD2-CB 3.83Å; W64-F80 HydrophobicContact CD2-CD1 4.39Å; W64-F80 HydrophobicContact CD2-CG 4.48Å; W64-F80 HydrophobicContact CE3-CB 3.85Å; W64-F80 HydrophobicContact CE3-CD1 4.15Å; W64-F80 HydrophobicContact CE3-CG 4.48Å; W64-F80 HydrophobicContact CG-CB 4.2Å; W64-F80 AromaticContact CH2-CD1 3.47Å; W64-F80 HydrophobicContact CH2-CD1 3.47Å; W64-F80 VanDerWaalsContact CH2-CD1 3.47Å; W64-F80 HydrophobicContact CH2-CE1 4.01Å; W64-F80 HydrophobicContact CH2-CG 4.42Å; W64-F80 AromaticContact CZ2-CD1 3.72Å; W64-F80 HydrophobicContact CZ2-CD1 3.72Å; W64-F80 HydrophobicContact CZ2-CE1 4.22Å; W64-F80 HydrophobicContact CZ2-CG 4.39Å; W64-F80 HydrophobicContact CZ3-CB 4.27Å; W64-F80 AromaticContact CZ3-CD1 3.7Å; W64-F80 HydrophobicContact CZ3-CD1 3.7Å; W64-F80 HydrophobicContact CZ3-CG 4.46Å; W64-K94 HydrophobicContact CH2-CB 4.28Å; W64-K94 HydrophobicContact CH2-CG 4.23Å; W64-K94 HydrophobicContact CZ3-CB 4.47Å
65F90.6Very high72.3Confident23 Ų2376.9 Ų76.910%0.10141%0.408CS..PPolyproline II helixtrans-62.3130.2169-171.2-89.7000109K67 I79 W114 G118 K135F65-K67 PolarHBondContact O-N 2.61Å; F65-I79 HydrophobicContact CB-CG1 3.88Å; F65-I79 WeakPolarHBondContact CB-O 3.33Å; F65-I79 HydrophobicContact CD2-CD1 4.38Å; F65-I79 HydrophobicContact CD2-CG1 4.34Å; F65-I79 HydrophobicContact CG-CG1 4.26Å; F65-I79 PolarHBondContact N-O 3.24Å; F65-W114 AromaticContact CD2-CD2 3.85Å; F65-W114 HydrophobicContact CD2-CD2 3.85Å; F65-W114 AromaticContact CD2-CE2 3.85Å; F65-W114 AromaticContact CD2-CE3 3.98Å; F65-W114 HydrophobicContact CD2-CE3 3.98Å; F65-W114 HydrophobicContact CD2-CG 4.43Å; F65-W114 HydrophobicContact CD2-CH2 4.16Å; F65-W114 HydrophobicContact CD2-CZ2 4.01Å; F65-W114 HydrophobicContact CD2-CZ3 4.13Å; F65-W114 HydrophobicContact CE2-CD2 4.35Å; F65-W114 HydrophobicContact CE2-CE3 4.01Å; F65-W114 HydrophobicContact CE2-CH2 4.35Å; F65-W114 HydrophobicContact CE2-CZ3 4.02Å; F65-G118 VanDerWaalsContact CE2-O 3.22Å; F65-G118 WeakPolarHBondContact CE2-O 3.28Å; F65-G118 WeakPolarHBondContact CZ-O 3.35Å; F65-K135 HydrophobicContact CE2-CD 3.71Å; F65-K135 HydrophobicContact CE2-CG 4.08Å; F65-K135 HydrophobicContact CZ-CD 3.93Å
66P83.5Confident70.6Confident30 Ų3074.7 Ų74.720%0.19539%0.394CS..PPolyproline II helixtrans-66.4136.7-177.428.7-35.9000109.9T68 W114 N115P66-T68 PolarHBondContact O-N 3.14Å; P66-T68 VanDerWaalsContact O-N 3.12Å; P66-W114 HydrophobicContact CG-CB 4.29Å; P66-N115 WeakPolarHBondContact CG-O 3.4Å
67K71.6Confident69.1Low126 Ų12672.9 Ų72.955%0.54839%0.392SS..  trans-75.8101.4174.3-69.8178.5173.8171.80107.8T23 F65 V69 E78T23-K67 PolarHBondContact O-NZ 3.5Å; F65-K67 PolarHBondContact O-N 2.61Å; K67-V69 PolarHBondContact O-N 3.41Å; K67-V69 VanDerWaalsContact O-N 3.11Å; K67-E78 IonicContact NZ-OE1 2.74Å
68T55.4Low68.6Low47 Ų4776.4 Ų76.429%0.28841%0.408SS..  trans-68.3107.817654.40000109.6P66 G70 D117P66-T68 PolarHBondContact O-N 3.14Å; P66-T68 VanDerWaalsContact O-N 3.12Å; T68-G70 PolarHBondContact O-N 3.04Å; T68-D117 WeakPolarHBondContact CG2-O 3.47Å
69V48.8Very low68.4Low73 Ų7372.3 Ų72.344%0.44239%0.392SS..THydrogen-bonded Turntrans-77.1120.8177.2-163.20000108.9K67 G391 S392K67-V69 PolarHBondContact O-N 3.41Å; K67-V69 VanDerWaalsContact O-N 3.11Å; V69-G391 WeakPolarHBondContact CB-O 3.28Å; V69-G391 VanDerWaalsContact CG1-O 3.28Å; V69-G391 WeakPolarHBondContact CG1-O 3.34Å; V69-S392 VanDerWaalsContact CG1-CA 3.44Å
70G41.8Very low68.3Low77 Ų7772.2 Ų72.279%0.79439%0.392SS*.THydrogen-bonded Turntrans115.6-11.2176.800000116.4T68T68-G70 PolarHBondContact O-N 3.04Å
71A33.5Very low68.3Low61 Ų6170.4 Ų70.450%0.50438%0.381SS..SBendtrans-74.5128.2165.300000108.8K73A71-K73 PolarHBondContact O-N 2.85Å
72K34.2Very low68.3Low195 Ų19570.4 Ų70.485%0.84838%0.381SS*.  trans-40.9140.4170.6-71178.6177.6176.80109.1Q74K72-Q74 PolarHBondContact O-N 3.22Å
73K37Very low68.4Low222 Ų22270.2 Ų70.297%0.96538%0.38SS*.SBendtrans-46.765.3173.9-74.4-179.5171.4179.20113.4A71A71-K73 PolarHBondContact O-N 2.85Å
74Q36.9Very low68.5Low164 Ų16467.4 Ų67.477%0.76637%0.367SS*.  trans-85.3118.6151.3-84.7-179.3-13.900103.5K72 Q76K72-Q74 PolarHBondContact O-N 3.22Å; Q74-Q76 PolarHBondContact O-N 3.18Å
75T41.8Very low68.6Low148 Ų14869 Ų6991%0.90838%0.38SS*.  trans-47.480.7163.922.40000109.2A77T75-A77 PolarHBondContact O-N 2.92Å
76Q55.3Low68.8Low78 Ų7870.2 Ų70.236%0.36439%0.387SS..  trans-66.9126.8169-71.5-173.37.800106Q74 E78Q74-Q76 PolarHBondContact O-N 3.18Å; Q76-E78 PolarHBondContact O-N 3.45Å; Q76-E78 VanDerWaalsContact O-N 3.16Å
77A58.4Low69.4Low54 Ų5468.8 Ų68.845%0.44638%0.379SS..  trans-54.5122.4175.300000108.9T75 I79T75-A77 PolarHBondContact O-N 2.92Å; A77-I79 VanDerWaalsContact C-N 3.33Å; A77-I79 HydrophobicContact CB-CG2 3.97Å; A77-I79 PolarHBondContact O-N 3.4Å
78E81.8Confident70.7Confident79 Ų7965.2 Ų65.237%0.36936%0.363SS..  trans-69.993.2174.8-66.4-169.7135.100107.8W64 K67 Q76 S93 K94W64-E78 HydrophobicContact CZ3-CB 4.47Å; K67-E78 IonicContact NZ-OE1 2.74Å; Q76-E78 PolarHBondContact O-N 3.45Å; Q76-E78 VanDerWaalsContact O-N 3.16Å; E78-S93 CarbonylContact O-C 3.56Å; E78-K94 HydrophobicContact CB-CB 4.08Å; E78-K94 HydrophobicContact CB-CD 4.27Å; E78-K94 PolarHBondContact O-N 2.97Å; E78-K94 WeakPolarHBondContact OE2-CD 3.3Å; E78-K94 IonicContact OE2-NZ 3.57Å; E78-K94 PolarHBondContact OE2-NZ 3.07Å
79I91.3Very high72.7Confident7 Ų763 Ų634%0.03635%0.349CS..EExtended strand (participates in β ladder)trans-112.9154.3-179.965.1174.3000110.6F65 A77 V92 W114F65-I79 HydrophobicContact CB-CG1 3.88Å; F65-I79 WeakPolarHBondContact CB-O 3.33Å; F65-I79 HydrophobicContact CD2-CD1 4.38Å; F65-I79 HydrophobicContact CD2-CG1 4.34Å; F65-I79 HydrophobicContact CG-CG1 4.26Å; F65-I79 PolarHBondContact N-O 3.24Å; A77-I79 VanDerWaalsContact C-N 3.33Å; A77-I79 HydrophobicContact CB-CG2 3.97Å; A77-I79 PolarHBondContact O-N 3.4Å; I79-V92 CarbonylContact C-O 3.56Å; I79-V92 VanDerWaalsContact CA-O 3.26Å; I79-V92 WeakPolarHBondContact CA-O 3.47Å; I79-W114 HydrophobicContact CD1-CZ2 4.43Å
80F93.9Very high75Confident0 Ų059.6 Ų59.60%033%0.328CS..EExtended strand (participates in β ladder)trans-127.8151.9166.360.7-87.1000110.2I37 L62 H63 W64 L82 V92I37-F80 HydrophobicContact CD1-CE2 4.36Å; I37-F80 HydrophobicContact CD1-CZ 4.06Å; L62-F80 HydrophobicContact CD1-CD2 3.45Å; L62-F80 VanDerWaalsContact CD1-CD2 3.45Å; L62-F80 HydrophobicContact CD1-CE2 3.45Å; L62-F80 VanDerWaalsContact CD1-CE2 3.45Å; L62-F80 HydrophobicContact CD1-CG 4.2Å; L62-F80 HydrophobicContact CD1-CZ 4.22Å; L62-F80 HydrophobicContact CD2-CD2 4.44Å; L62-F80 HydrophobicContact CG-CB 4.47Å; L62-F80 HydrophobicContact CG-CD2 3.63Å; L62-F80 HydrophobicContact CG-CE2 4.15Å; L62-F80 HydrophobicContact CG-CG 4.27Å; H63-F80 WeakPolarHBondContact O-CA 3.49Å; H63-F80 WeakPolarHBondContact O-CB 3.47Å; W64-F80 HydrophobicContact CD2-CB 3.83Å; W64-F80 HydrophobicContact CD2-CD1 4.39Å; W64-F80 HydrophobicContact CD2-CG 4.48Å; W64-F80 HydrophobicContact CE3-CB 3.85Å; W64-F80 HydrophobicContact CE3-CD1 4.15Å; W64-F80 HydrophobicContact CE3-CG 4.48Å; W64-F80 HydrophobicContact CG-CB 4.2Å; W64-F80 AromaticContact CH2-CD1 3.47Å; W64-F80 HydrophobicContact CH2-CD1 3.47Å; W64-F80 VanDerWaalsContact CH2-CD1 3.47Å; W64-F80 HydrophobicContact CH2-CE1 4.01Å; W64-F80 HydrophobicContact CH2-CG 4.42Å; W64-F80 AromaticContact CZ2-CD1 3.72Å; W64-F80 HydrophobicContact CZ2-CD1 3.72Å; W64-F80 HydrophobicContact CZ2-CE1 4.22Å; W64-F80 HydrophobicContact CZ2-CG 4.39Å; W64-F80 HydrophobicContact CZ3-CB 4.27Å; W64-F80 AromaticContact CZ3-CD1 3.7Å; W64-F80 HydrophobicContact CZ3-CD1 3.7Å; W64-F80 HydrophobicContact CZ3-CG 4.46Å; F80-L82 HydrophobicContact CD2-CB 4.3Å; F80-L82 HydrophobicContact CE2-CB 4.13Å; F80-L82 HydrophobicContact CE2-CD1 4.47Å; F80-V92 HydrophobicContact CD1-CB 4.33Å; F80-V92 WeakPolarHBondContact CD1-O 3.21Å; F80-V92 HydrophobicContact CD2-CB 4.21Å; F80-V92 HydrophobicContact CE1-CB 3.84Å; F80-V92 HydrophobicContact CE1-CG1 3.86Å; F80-V92 HydrophobicContact CE2-CB 3.71Å; F80-V92 HydrophobicContact CE2-CG1 4.17Å; F80-V92 HydrophobicContact CE2-CG2 4.08Å; F80-V92 HydrophobicContact CZ-CB 3.52Å; F80-V92 HydrophobicContact CZ-CG1 3.52Å; F80-V92 HydrophobicContact CZ-CG2 4.28Å; F80-V92 PolarHBondContact N-O 2.98Å; F80-V92 PolarHBondContact O-N 3.13Å
81A96.1Very high77.5Confident2 Ų256.3 Ų56.32%0.01729%0.293CS..EExtended strand (participates in β ladder)trans-87.5128.116900000108.5L62 H63 H90 L91 W114 L121L62-A81 WeakPolarHBondContact CA-O 3.41Å; H63-A81 PolarHBondContact N-O 3.39Å; H63-A81 PolarHBondContact O-N 3.29Å; A81-H90 WeakPolarHBondContact CA-O 3.3Å; A81-L91 HydrophobicContact CB-CD2 4.27Å; A81-W114 HydrophobicContact CB-CZ2 4.49Å; A81-L121 HydrophobicContact CB-CD1 3.83Å; A81-L121 HydrophobicContact CB-CD2 4.02Å
82L97.2Very high80.4Confident0 Ų053.4 Ų53.40%027%0.269CS..EExtended strand (participates in β ladder)trans-114.2123.4172.4-173.769.8000108.3C31 I37 L53 P59 L62 F80 F89 H90 V92C31-L82 HydrophobicContact CB-CD1 4.34Å; I37-L82 HydrophobicContact CD1-CD2 4.21Å; L53-L82 HydrophobicContact CD1-CD2 3.91Å; L53-L82 HydrophobicContact CD2-CD2 4.4Å; P59-L82 HydrophobicContact CB-CD1 3.72Å; P59-L82 HydrophobicContact CB-CD2 4.23Å; P59-L82 HydrophobicContact CB-CG 4.18Å; L62-L82 HydrophobicContact CB-CD1 4.2Å; L62-L82 HydrophobicContact CD1-CD1 4.32Å; F80-L82 HydrophobicContact CD2-CB 4.3Å; F80-L82 HydrophobicContact CE2-CB 4.13Å; F80-L82 HydrophobicContact CE2-CD1 4.47Å; L82-F89 CarbonylContact O-C 3.56Å; L82-F89 VanDerWaalsContact O-CA 3.28Å; L82-F89 WeakPolarHBondContact O-CA 3.3Å; L82-H90 HydrophobicContact CB-CB 4.4Å; L82-H90 PolarHBondContact N-O 2.96Å; L82-H90 PolarHBondContact O-N 3.46Å; L82-V92 HydrophobicContact CB-CG2 4.18Å
83T97.6Very high83.2Confident1 Ų144.9 Ų44.91%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-96.6147.7176.255.10000110.1P59 V60 D61 F89 V109P59-T83 CarbonylContact C-O 3.56Å; P59-T83 WeakPolarHBondContact CA-O 3.47Å; V60-T83 PolarHBondContact N-O 2.91Å; D61-T83 WeakPolarHBondContact CA-OG1 3.19Å; D61-T83 VanDerWaalsContact CB-OG1 3.31Å; D61-T83 WeakPolarHBondContact CB-OG1 3.41Å; D61-T83 PolarHBondContact N-OG1 3.31Å; D61-T83 PolarHBondContact O-N 3.44Å; D61-T83 PolarHBondContact O-OG1 2.88Å; T83-F89 HydrophobicContact CG2-CB 4.29Å; T83-V109 WeakPolarHBondContact CB-O 3.32Å; T83-V109 HydrophobicContact CG2-CB 4.2Å; T83-V109 HydrophobicContact CG2-CG1 3.55Å; T83-V109 PolarHBondContact OG1-O 3.23Å
84S97.3Very high85.7Confident0 Ų036.1 Ų36.10%020%0.196CC..EExtended strand (participates in β ladder)trans-134.5156.6-170.1168.90000112.3Y58 D86 G87 K88 V109Y58-S84 VanDerWaalsContact O-CA 3.25Å; Y58-S84 WeakPolarHBondContact O-CA 3.49Å; S84-D86 WeakPolarHBondContact CB-OD1 3.32Å; S84-D86 PolarHBondContact O-N 3.06Å; S84-D86 PolarHBondContact OG-N 3.43Å; S84-D86 PolarHBondContact OG-OD1 3.21Å; S84-G87 PolarHBondContact O-N 2.96Å; S84-K88 PolarHBondContact N-O 3.46Å; S84-V109 PolarHBondContact O-N 3.24Å
85T96.9Very high88.2Confident61 Ų6134.7 Ų34.737%0.37419%0.191SC..THydrogen-bonded Turntrans-68.3-21.117761.40000113.7Y58 V60 G87 A108Y58-T85 WeakPolarHBondContact CB-OG1 3.34Å; Y58-T85 PolarHBondContact O-N 2.95Å; Y58-T85 VanDerWaalsContact O-N 3.08Å; V60-T85 HydrophobicContact CG2-CG2 3.68Å; T85-G87 PolarHBondContact O-N 3.47Å; T85-G87 VanDerWaalsContact O-N 3.15Å; T85-A108 WeakPolarHBondContact O-CA 3.44Å
86D95Very high90.4Very high49 Ų4927.8 Ų27.826%0.26215%0.149SC..THydrogen-bonded Turntrans-74.54.5178.877.2-30.4000113.9S84 K88S84-D86 WeakPolarHBondContact CB-OD1 3.32Å; S84-D86 PolarHBondContact O-N 3.06Å; S84-D86 PolarHBondContact OG-N 3.43Å; S84-D86 PolarHBondContact OG-OD1 3.21Å; D86-K88 VanDerWaalsContact C-N 3.31Å; D86-K88 WeakPolarHBondContact OD1-CB 3.34Å; D86-K88 PolarHBondContact OD1-N 3.01Å; D86-K88 VanDerWaalsContact OD1-N 3.1Å; D86-K88 WeakPolarHBondContact OD2-CD 3.11Å; D86-K88 VanDerWaalsContact OD2-CE 3.31Å; D86-K88 WeakPolarHBondContact OD2-CE 3.42Å; D86-K88 WeakPolarHBondContact OD2-CG 3.46Å; D86-K88 IonicContact OD2-NZ 3.84Å; D86-K88 PolarHBondContact OD2-NZ 3.44Å
87G96.4Very high92.2Very high1 Ų133 Ų331%0.0117%0.166CC..SBendtrans819.7-178.700000114.4S84 T85 A104 H105 G107 V109S84-G87 PolarHBondContact O-N 2.96Å; T85-G87 PolarHBondContact O-N 3.47Å; T85-G87 VanDerWaalsContact O-N 3.15Å; G87-A104 PolarHBondContact O-N 3.4Å; G87-H105 PolarHBondContact O-N 2.95Å; G87-G107 WeakPolarHBondContact CA-O 3.48Å; G87-V109 VanDerWaalsContact C-CG2 3.43Å; G87-V109 WeakPolarHBondContact O-CG2 3.19Å
88K97.7Very high93.9Very high50 Ų5033.1 Ų33.122%0.21716%0.158CC..EExtended strand (participates in β ladder)trans-102.9157.3174.4-56.5-176.4-161.1120.70112.2S84 D86 V102 E103 V109S84-K88 PolarHBondContact N-O 3.46Å; D86-K88 VanDerWaalsContact C-N 3.31Å; D86-K88 WeakPolarHBondContact OD1-CB 3.34Å; D86-K88 PolarHBondContact OD1-N 3.01Å; D86-K88 VanDerWaalsContact OD1-N 3.1Å; D86-K88 WeakPolarHBondContact OD2-CD 3.11Å; D86-K88 VanDerWaalsContact OD2-CE 3.31Å; D86-K88 WeakPolarHBondContact OD2-CE 3.42Å; D86-K88 WeakPolarHBondContact OD2-CG 3.46Å; D86-K88 IonicContact OD2-NZ 3.84Å; D86-K88 PolarHBondContact OD2-NZ 3.44Å; K88-V102 WeakPolarHBondContact CA-O 3.4Å; K88-V102 WeakPolarHBondContact CB-O 3.42Å; K88-E103 HydrophobicContact CD-CG 4.28Å; K88-E103 HydrophobicContact CG-CG 4.07Å; K88-V109 WeakPolarHBondContact O-CG2 3.44Å
89F97.4Very high94.4Very high0 Ų034.2 Ų34.20%016%0.163CC..EExtended strand (participates in β ladder)trans-113.1150.5153.571.8-95.1000109.9L82 T83 L91 V102 A104 L121 T123 W133L82-F89 CarbonylContact O-C 3.56Å; L82-F89 VanDerWaalsContact O-CA 3.28Å; L82-F89 WeakPolarHBondContact O-CA 3.3Å; T83-F89 HydrophobicContact CG2-CB 4.29Å; F89-L91 HydrophobicContact CD2-CD2 4.27Å; F89-L91 HydrophobicContact CD2-CG 4.5Å; F89-L91 HydrophobicContact CE2-CD2 4.2Å; F89-L91 HydrophobicContact CE2-CG 4.24Å; F89-V102 HydrophobicContact CD1-CB 4.08Å; F89-V102 HydrophobicContact CD1-CG1 4.43Å; F89-V102 HydrophobicContact CD2-CB 4.42Å; F89-V102 HydrophobicContact CE1-CB 3.52Å; F89-V102 HydrophobicContact CE1-CG1 3.58Å; F89-V102 HydrophobicContact CE1-CG2 4.21Å; F89-V102 HydrophobicContact CE2-CB 3.91Å; F89-V102 HydrophobicContact CE2-CG2 3.8Å; F89-V102 HydrophobicContact CG-CB 4.49Å; F89-V102 HydrophobicContact CZ-CB 3.43Å; F89-V102 VanDerWaalsContact CZ-CB 3.43Å; F89-V102 HydrophobicContact CZ-CG1 3.71Å; F89-V102 HydrophobicContact CZ-CG2 3.57Å; F89-V102 PolarHBondContact N-O 3.45Å; F89-V102 PolarHBondContact O-N 3.47Å; F89-A104 HydrophobicContact CD1-CB 3.6Å; F89-A104 HydrophobicContact CE1-CB 3.98Å; F89-L121 HydrophobicContact CD2-CD2 3.75Å; F89-L121 HydrophobicContact CE2-CD2 3.71Å; F89-L121 HydrophobicContact CG-CD2 4.2Å; F89-L121 HydrophobicContact CZ-CD2 4.12Å; F89-T123 HydrophobicContact CD1-CG2 3.85Å; F89-T123 HydrophobicContact CE1-CG2 4.34Å; F89-T123 HydrophobicContact CG-CG2 4.38Å; F89-W133 AromaticContact CE1-CD2 3.58Å; F89-W133 HydrophobicContact CE1-CD2 3.58Å; F89-W133 AromaticContact CE1-CE2 3.66Å; F89-W133 AromaticContact CE1-CE3 3.94Å; F89-W133 HydrophobicContact CE1-CE3 3.94Å; F89-W133 AromaticContact CE1-CG 3.88Å; F89-W133 HydrophobicContact CE1-CG 3.88Å; F89-W133 HydrophobicContact CE1-CH2 4.44Å; F89-W133 HydrophobicContact CE1-CZ2 4.11Å; F89-W133 HydrophobicContact CE1-CZ3 4.35Å; F89-W133 AromaticContact CE1-NE1 3.91Å; F89-W133 HydrophobicContact CZ-CB 4.31Å; F89-W133 AromaticContact CZ-CD2 3.95Å; F89-W133 HydrophobicContact CZ-CD2 3.95Å; F89-W133 HydrophobicContact CZ-CE3 4.13Å; F89-W133 AromaticContact CZ-CG 4Å; F89-W133 HydrophobicContact CZ-CG 4Å
90H96.6Very high94.5Very high2 Ų237.7 Ų37.71%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-118.9132.7-179.4-53.6-79.9000109.5A81 L82 V92 I98 K100 S101A81-H90 WeakPolarHBondContact CA-O 3.3Å; L82-H90 HydrophobicContact CB-CB 4.4Å; L82-H90 PolarHBondContact N-O 2.96Å; L82-H90 PolarHBondContact O-N 3.46Å; H90-V92 HydrophobicContact CB-CG2 3.92Å; H90-I98 HydrophobicContact CB-CG2 4.28Å; H90-K100 CarbonylContact C-O 3.58Å; H90-K100 VanDerWaalsContact CA-O 3.26Å; H90-K100 WeakPolarHBondContact CA-O 3.44Å; H90-S101 PolarHBondContact CE1-OG 3.01Å; H90-S101 WeakPolarHBondContact ND1-CB 3.38Å; H90-S101 PolarHBondContact ND1-OG 3.33Å
91L95.2Very high94.6Very high8 Ų840.7 Ų40.74%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-91.5113166.7-60.9-175.7000107.4A81 F89 E99 K100 W114 K135A81-L91 HydrophobicContact CB-CD2 4.27Å; F89-L91 HydrophobicContact CD2-CD2 4.27Å; F89-L91 HydrophobicContact CD2-CG 4.5Å; F89-L91 HydrophobicContact CE2-CD2 4.2Å; F89-L91 HydrophobicContact CE2-CG 4.24Å; L91-E99 PolarHBondContact O-N 3.31Å; L91-K100 HydrophobicContact CB-CB 4.19Å; L91-K100 HydrophobicContact CD1-CB 4.23Å; L91-K100 HydrophobicContact CG-CB 4.34Å; L91-K100 PolarHBondContact N-O 3.23Å; L91-K100 PolarHBondContact O-N 3.02Å; L91-W114 HydrophobicContact CD2-CH2 4.28Å; L91-W114 HydrophobicContact CD2-CZ2 3.7Å; L91-K135 WeakPolarHBondContact CD1-O 3.29Å
92V94.4Very high94.7Very high0 Ų041.3 Ų41.30%020%0.202CC..EExtended strand (participates in β ladder)trans-116.2130.2-172.7-170.70000108.8I79 F80 L82 H90 R97 I98I79-V92 CarbonylContact C-O 3.56Å; I79-V92 VanDerWaalsContact CA-O 3.26Å; I79-V92 WeakPolarHBondContact CA-O 3.47Å; F80-V92 HydrophobicContact CD1-CB 4.33Å; F80-V92 WeakPolarHBondContact CD1-O 3.21Å; F80-V92 HydrophobicContact CD2-CB 4.21Å; F80-V92 HydrophobicContact CE1-CB 3.84Å; F80-V92 HydrophobicContact CE1-CG1 3.86Å; F80-V92 HydrophobicContact CE2-CB 3.71Å; F80-V92 HydrophobicContact CE2-CG1 4.17Å; F80-V92 HydrophobicContact CE2-CG2 4.08Å; F80-V92 HydrophobicContact CZ-CB 3.52Å; F80-V92 HydrophobicContact CZ-CG1 3.52Å; F80-V92 HydrophobicContact CZ-CG2 4.28Å; F80-V92 PolarHBondContact N-O 2.98Å; F80-V92 PolarHBondContact O-N 3.13Å; L82-V92 HydrophobicContact CB-CG2 4.18Å; H90-V92 HydrophobicContact CB-CG2 3.92Å; V92-R97 WeakPolarHBondContact CA-O 3.48Å; V92-I98 HydrophobicContact CG2-CG1 4.31Å
93S93.1Very high94.7Very high17 Ų1749 Ų4912%0.11924%0.239CC..EExtended strand (participates in β ladder)trans-72162174.380.90000110.9E78 M95 G96 R97E78-S93 CarbonylContact O-C 3.56Å; S93-M95 PolarHBondContact O-N 3.36Å; S93-M95 PolarHBondContact OG-N 2.94Å; S93-G96 WeakPolarHBondContact O-CA 3.37Å; S93-G96 PolarHBondContact O-N 3.44Å; S93-R97 PolarHBondContact N-O 2.78Å; S93-R97 WeakPolarHBondContact OG-CB 3.31Å; S93-R97 PolarHBondContact OG-N 2.93Å
94K89.8Confident94.6Very high37 Ų3749.1 Ų49.116%0.16124%0.24CC..THydrogen-bonded Turntrans-52.9-27.4174.2-173172178.4171.40114E27 Y29 W64 E78 G96E27-K94 VanDerWaalsContact OE2-CE 3.23Å; E27-K94 WeakPolarHBondContact OE2-CE 3.49Å; E27-K94 IonicContact OE2-NZ 2.96Å; E27-K94 PolarHBondContact OE2-NZ 3.39Å; Y29-K94 WeakPolarHBondContact OH-CG 3.26Å; Y29-K94 PolarHBondContact OH-O 3.22Å; W64-K94 HydrophobicContact CH2-CB 4.28Å; W64-K94 HydrophobicContact CH2-CG 4.23Å; W64-K94 HydrophobicContact CZ3-CB 4.47Å; E78-K94 HydrophobicContact CB-CB 4.08Å; E78-K94 HydrophobicContact CB-CD 4.27Å; E78-K94 PolarHBondContact O-N 2.97Å; E78-K94 WeakPolarHBondContact OE2-CD 3.3Å; E78-K94 IonicContact OE2-NZ 3.57Å; E78-K94 PolarHBondContact OE2-NZ 3.07Å; K94-G96 PolarHBondContact O-N 3.46Å
95M89.2Confident94.6Very high134 Ų13450 Ų5066%0.6624%0.243SC*.THydrogen-bonded Turntrans-857.9176.8-59-63.884.800113.5S93 R97S93-M95 PolarHBondContact O-N 3.36Å; S93-M95 PolarHBondContact OG-N 2.94Å; M95-R97 VanDerWaalsContact C-N 3.29Å; M95-R97 PolarHBondContact O-N 3.14Å
96G88.6Confident94.6Very high4 Ų456 Ų564%0.04126%0.264CS..SBendtrans79.46.8179.700000114.4S93 K94 I98S93-G96 WeakPolarHBondContact O-CA 3.37Å; S93-G96 PolarHBondContact O-N 3.44Å; K94-G96 PolarHBondContact O-N 3.46Å; G96-I98 PolarHBondContact O-N 2.83Å
97R92.4Very high94.6Very high188 Ų18855.2 Ų55.271%0.70927%0.268SS*.  trans-75.7122.7176.3-177.3-178.2176.6177.10109.2V92 S93 M95 E99V92-R97 WeakPolarHBondContact CA-O 3.48Å; S93-R97 PolarHBondContact N-O 2.78Å; S93-R97 WeakPolarHBondContact OG-CB 3.31Å; S93-R97 PolarHBondContact OG-N 2.93Å; M95-R97 VanDerWaalsContact C-N 3.29Å; M95-R97 PolarHBondContact O-N 3.14Å; R97-E99 PolarHBondContact O-N 3.44Å; R97-E99 VanDerWaalsContact O-N 3.16Å
98I93.5Very high94.7Very high55 Ų5555.3 Ų55.328%0.28227%0.269SS..EExtended strand (participates in β ladder)trans-70.3108.5169.4-57.3174.6000107.9L53 I57 H90 V92 G96 S101L53-I98 HydrophobicContact CD2-CD1 4.41Å; I57-I98 HydrophobicContact CD1-CD1 4.23Å; H90-I98 HydrophobicContact CB-CG2 4.28Å; V92-I98 HydrophobicContact CG2-CG1 4.31Å; G96-I98 PolarHBondContact O-N 2.83Å; I98-S101 WeakPolarHBondContact CG2-OG 3.42Å
99E92.6Very high94.7Very high102 Ų10253 Ų5348%0.47726%0.258SS..EExtended strand (participates in β ladder)trans-80.6-36177.2-61.2-166.8167.100111.4L91 R97L91-E99 PolarHBondContact O-N 3.31Å; R97-E99 PolarHBondContact O-N 3.44Å; R97-E99 VanDerWaalsContact O-N 3.16Å
100K93.6Very high94.7Very high80 Ų8054.2 Ų54.235%0.34827%0.265SS..EExtended strand (participates in β ladder)trans-150.7142.7178.4-160.8178.6-171.5-168.20111.1H90 L91 V102 S136 G137H90-K100 CarbonylContact C-O 3.58Å; H90-K100 VanDerWaalsContact CA-O 3.26Å; H90-K100 WeakPolarHBondContact CA-O 3.44Å; L91-K100 HydrophobicContact CB-CB 4.19Å; L91-K100 HydrophobicContact CD1-CB 4.23Å; L91-K100 HydrophobicContact CG-CB 4.34Å; L91-K100 PolarHBondContact N-O 3.23Å; L91-K100 PolarHBondContact O-N 3.02Å; K100-V102 HydrophobicContact CD-CG2 3.73Å; K100-V102 HydrophobicContact CG-CG2 3.91Å; K100-S136 VanDerWaalsContact CD-O 3.26Å; K100-S136 WeakPolarHBondContact CD-O 3.41Å; K100-S136 WeakPolarHBondContact CE-O 3.44Å; K100-S136 PolarHBondContact NZ-O 2.86Å; K100-G137 VanDerWaalsContact NZ-C 3.34Å; K100-G137 PolarHBondContact NZ-O 3.09Å
101S96.1Very high94.7Very high63 Ų6354.3 Ų54.344%0.44127%0.266SS..EExtended strand (participates in β ladder)trans-119.2133.6166.2-56.90000108.4H90 I98H90-S101 PolarHBondContact CE1-OG 3.01Å; H90-S101 WeakPolarHBondContact ND1-CB 3.38Å; H90-S101 PolarHBondContact ND1-OG 3.33Å; I98-S101 WeakPolarHBondContact CG2-OG 3.42Å
102V97.6Very high94.8Very high15 Ų1554 Ų549%0.09127%0.265CS..EExtended strand (participates in β ladder)trans-131.3123.5-176.4-179.20000109.4K88 F89 K100 A104 W133K88-V102 WeakPolarHBondContact CA-O 3.4Å; K88-V102 WeakPolarHBondContact CB-O 3.42Å; F89-V102 HydrophobicContact CD1-CB 4.08Å; F89-V102 HydrophobicContact CD1-CG1 4.43Å; F89-V102 HydrophobicContact CD2-CB 4.42Å; F89-V102 HydrophobicContact CE1-CB 3.52Å; F89-V102 HydrophobicContact CE1-CG1 3.58Å; F89-V102 HydrophobicContact CE1-CG2 4.21Å; F89-V102 HydrophobicContact CE2-CB 3.91Å; F89-V102 HydrophobicContact CE2-CG2 3.8Å; F89-V102 HydrophobicContact CG-CB 4.49Å; F89-V102 HydrophobicContact CZ-CB 3.43Å; F89-V102 VanDerWaalsContact CZ-CB 3.43Å; F89-V102 HydrophobicContact CZ-CG1 3.71Å; F89-V102 HydrophobicContact CZ-CG2 3.57Å; F89-V102 PolarHBondContact N-O 3.45Å; F89-V102 PolarHBondContact O-N 3.47Å; K100-V102 HydrophobicContact CD-CG2 3.73Å; K100-V102 HydrophobicContact CG-CG2 3.91Å; V102-A104 PolarHBondContact O-N 3.42Å; V102-W133 HydrophobicContact CG1-CE3 3.96Å; V102-W133 HydrophobicContact CG1-CH2 3.98Å; V102-W133 HydrophobicContact CG1-CZ3 3.5Å; V102-W133 VanDerWaalsContact CG1-CZ3 3.5Å
103E97.1Very high95Very high163 Ų16356.1 Ų56.176%0.76227%0.273SS*.EExtended strand (participates in β ladder)trans-67.6109.4169.2-69.5-180-175.500109.8K88K88-E103 HydrophobicContact CD-CG 4.28Å; K88-E103 HydrophobicContact CG-CG 4.07Å
104A96.7Very high95.1Very high3 Ų355.7 Ų55.73%0.02527%0.268CS..  trans-109.4-41.4-169.500000112.4G87 F89 V102 V109 K131 W133G87-A104 PolarHBondContact O-N 3.4Å; F89-A104 HydrophobicContact CD1-CB 3.6Å; F89-A104 HydrophobicContact CE1-CB 3.98Å; V102-A104 PolarHBondContact O-N 3.42Å; A104-V109 HydrophobicContact CB-CG2 4.22Å; A104-K131 WeakPolarHBondContact O-CD 3.5Å; A104-K131 WeakPolarHBondContact O-CE 3.45Å; A104-K131 PolarHBondContact O-NZ 2.86Å; A104-W133 HydrophobicContact CB-CH2 4.04Å; A104-W133 HydrophobicContact CB-CZ2 3.5Å
105H97.6Very high95.2Very high17 Ų1754.1 Ų54.18%0.07926%0.262CS..  trans-138159.7-172.2-68.5-86.2000112G87 V109 T123 D127 Q129G87-H105 PolarHBondContact O-N 2.95Å; H105-V109 HydrophobicContact CB-CG2 4.21Å; H105-T123 PolarHBondContact NE2-OG1 3.43Å; H105-D127 WeakPolarHBondContact CA-OD2 3.23Å; H105-D127 WeakPolarHBondContact CB-OD2 3.5Å; H105-D127 IonicContact CE1-OD1 3.03Å; H105-D127 IonicContact CG-OD1 3.19Å; H105-D127 IonicContact CG-OD2 2.76Å; H105-D127 IonicContact ND1-OD1 3.65Å; H105-D127 PolarHBondContact ND1-OD1 2.99Å; H105-D127 IonicContact ND1-OD2 3.82Å; H105-D127 PolarHBondContact ND1-OD2 2.79Å; H105-Q129 PolarHBondContact CE1-O 3.39Å
106K96Very high95.1Very high188 Ų18851.1 Ų51.182%0.81724%0.244SC*.SBendtrans-9296.4170-67.9-175.7178.8-176.20109D127K106-D127 HydrophobicContact CB-CB 4.28Å; K106-D127 PolarHBondContact N-OD2 3.37Å; K106-D127 WeakPolarHBondContact O-CB 3.37Å
107G95.8Very high94.8Very high32 Ų3254.4 Ų54.433%0.3326%0.261SS..SBendtrans102.3-177.4-166.600000111G87G87-G107 WeakPolarHBondContact CA-O 3.48Å
108A97.3Very high94.6Very high4 Ų445.7 Ų45.73%0.03323%0.229CC..  trans-61.1144-168.100000113.1T85 L110 G125 E126T85-A108 WeakPolarHBondContact O-CA 3.44Å; A108-L110 HydrophobicContact CB-CD2 3.99Å; A108-G125 VanDerWaalsContact O-CA 3.28Å; A108-G125 WeakPolarHBondContact O-CA 3.43Å; A108-E126 HydrophobicContact CB-CG 3.89Å; A108-E126 WeakPolarHBondContact CB-OE1 3.4Å; A108-E126 PolarHBondContact N-OE2 2.9Å; A108-E126 PolarHBondContact O-N 2.89Å
109V98.3Very high94.4Very high0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-87105.8166.3-169.30000107.5T83 S84 G87 K88 A104 H105 T123 A124T83-V109 WeakPolarHBondContact CB-O 3.32Å; T83-V109 HydrophobicContact CG2-CB 4.2Å; T83-V109 HydrophobicContact CG2-CG1 3.55Å; T83-V109 PolarHBondContact OG1-O 3.23Å; S84-V109 PolarHBondContact O-N 3.24Å; G87-V109 VanDerWaalsContact C-CG2 3.43Å; G87-V109 WeakPolarHBondContact O-CG2 3.19Å; K88-V109 WeakPolarHBondContact O-CG2 3.44Å; A104-V109 HydrophobicContact CB-CG2 4.22Å; H105-V109 HydrophobicContact CB-CG2 4.21Å; V109-T123 HydrophobicContact CG1-CG2 4.33Å; V109-A124 CarbonylContact C-O 3.58Å
110L97.8Very high94.5Very high27 Ų2741.3 Ų41.314%0.14121%0.212CC..EExtended strand (participates in β ladder)trans-83.6-24.9-169.9-62.8178.8000113.9A108 A124 E126 P149 Y151A108-L110 HydrophobicContact CB-CD2 3.99Å; L110-A124 PolarHBondContact N-O 3.49Å; L110-E126 HydrophobicContact CD1-CG 3.75Å; L110-E126 HydrophobicContact CD2-CG 3.86Å; L110-E126 HydrophobicContact CG-CG 3.84Å; L110-P149 HydrophobicContact CD1-CB 4.13Å; L110-Y151 HydrophobicContact CD1-CD1 4.03Å; L110-Y151 HydrophobicContact CD1-CE1 4.4Å
111A97.2Very high94.7Very high3 Ų337.6 Ų37.63%0.02520%0.196CC..EExtended strand (participates in β ladder)trans-150.5145.1178.400000112T123 A124 V153A111-T123 WeakPolarHBondContact O-CA 3.02Å; A111-A124 HydrophobicContact CB-CB 4.37Å; A111-A124 PolarHBondContact N-O 3.27Å; A111-A124 PolarHBondContact O-N 3.41Å; A111-V153 HydrophobicContact CB-CG2 3.92Å
112G97.1Very high94.7Very high2 Ų234.6 Ų34.62%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-138.6120.617700000111D61 H63 L122D61-G112 PolarHBondContact OD2-N 2.9Å; D61-G112 VanDerWaalsContact OD2-N 3.09Å; H63-G112 VanDerWaalsContact CB-O 3.24Å; H63-G112 WeakPolarHBondContact CB-O 3.36Å; G112-L122 CarbonylContact C-O 3.43Å; G112-L122 WeakPolarHBondContact CA-O 3.49Å
113R96.8Very high94.8Very high45 Ų4533.9 Ų33.917%0.1717%0.171CC..EExtended strand (participates in β ladder)trans-136.7121.1-177.7-67.2-67.2176.9-110.73.6112D61 L62 L122 V153 W155D61-R113 IonicContact OD1-CZ 2.7Å; D61-R113 IonicContact OD1-NH1 3.66Å; D61-R113 PolarHBondContact OD1-NH1 3.18Å; D61-R113 IonicContact OD1-NH2 3.91Å; D61-R113 PolarHBondContact OD1-NH2 3.48Å; D61-R113 VanDerWaalsContact OD1-NH2 3.14Å; D61-R113 IonicContact OD2-CZ 2.97Å; D61-R113 VanDerWaalsContact OD2-CZ 3.25Å; D61-R113 IonicContact OD2-NH1 3.88Å; D61-R113 PolarHBondContact OD2-NH1 3.41Å; D61-R113 IonicContact OD2-NH2 2.7Å; D61-R113 PolarHBondContact OD2-NH2 2.89Å; L62-R113 PolarHBondContact O-NH1 3.19Å; R113-L122 PolarHBondContact N-O 3.35Å; R113-L122 WeakPolarHBondContact O-CB 3.32Å; R113-L122 PolarHBondContact O-N 2.97Å; R113-V153 HydrophobicContact CG-CG2 4.31Å; R113-W155 PolarHBondContact O-NE1 2.9Å
114W95.4Very high94.8Very high7 Ų726.1 Ų26.13%0.02714%0.135CC..EExtended strand (participates in β ladder)trans-68.6141.7166.5-68.3104.7000109.1H63 F65 P66 I79 A81 L91 A120 L121 K135H63-W114 AromaticContact ND1-CD1 3.49Å; H63-W114 AromaticContact ND1-CG 3.89Å; H63-W114 PolarHBondContact ND1-N 3.01Å; H63-W114 VanDerWaalsContact ND1-N 3.12Å; F65-W114 AromaticContact CD2-CD2 3.85Å; F65-W114 HydrophobicContact CD2-CD2 3.85Å; F65-W114 AromaticContact CD2-CE2 3.85Å; F65-W114 AromaticContact CD2-CE3 3.98Å; F65-W114 HydrophobicContact CD2-CE3 3.98Å; F65-W114 HydrophobicContact CD2-CG 4.43Å; F65-W114 HydrophobicContact CD2-CH2 4.16Å; F65-W114 HydrophobicContact CD2-CZ2 4.01Å; F65-W114 HydrophobicContact CD2-CZ3 4.13Å; F65-W114 HydrophobicContact CE2-CD2 4.35Å; F65-W114 HydrophobicContact CE2-CE3 4.01Å; F65-W114 HydrophobicContact CE2-CH2 4.35Å; F65-W114 HydrophobicContact CE2-CZ3 4.02Å; P66-W114 HydrophobicContact CG-CB 4.29Å; I79-W114 HydrophobicContact CD1-CZ2 4.43Å; A81-W114 HydrophobicContact CB-CZ2 4.49Å; L91-W114 HydrophobicContact CD2-CH2 4.28Å; L91-W114 HydrophobicContact CD2-CZ2 3.7Å; W114-A120 WeakPolarHBondContact CA-O 3.47Å; W114-L121 HydrophobicContact CD2-CB 4.18Å; W114-L121 HydrophobicContact CD2-CD1 3.98Å; W114-L121 HydrophobicContact CE3-CB 3.83Å; W114-L121 HydrophobicContact CE3-CD1 4.48Å; W114-L121 HydrophobicContact CG-CD1 4.14Å; W114-L121 HydrophobicContact CH2-CB 4.05Å; W114-L121 HydrophobicContact CZ2-CB 4.4Å; W114-L121 HydrophobicContact CZ2-CD2 4.44Å; W114-L121 HydrophobicContact CZ3-CB 3.76Å; W114-K135 HydrophobicContact CH2-CB 4.36Å; W114-K135 HydrophobicContact CH2-CG 4.23Å; W114-K135 HydrophobicContact CZ3-CB 4.18Å; W114-K135 HydrophobicContact CZ3-CG 4.38Å
115N92.6Very high94.8Very high5 Ų526 Ų263%0.02713%0.134CC..  trans-73.2163.2168.269.2-19.1000110.8P66 D117 G118 T119 A120 W155P66-N115 WeakPolarHBondContact CG-O 3.4Å; N115-D117 VanDerWaalsContact C-N 3.26Å; N115-D117 PolarHBondContact ND2-OD1 3.14Å; N115-D117 PolarHBondContact O-N 3.33Å; N115-D117 PolarHBondContact OD1-OD1 2.98Å; N115-G118 PolarHBondContact O-N 3.4Å; N115-G118 PolarHBondContact OD1-N 3.45Å; N115-T119 PolarHBondContact ND2-OG1 3.42Å; N115-T119 PolarHBondContact OD1-N 3.49Å; N115-A120 PolarHBondContact N-O 3.21Å; N115-A120 PolarHBondContact OD1-N 2.98Å; N115-A120 PolarHBondContact OD1-O 3.15Å; N115-W155 VanDerWaalsContact CA-CD1 3.47Å; N115-W155 HydrophobicContact CB-CD2 3.56Å; N115-W155 VanDerWaalsContact CB-CE2 3.49Å; N115-W155 HydrophobicContact CB-CE3 4.04Å; N115-W155 HydrophobicContact CB-CG 3.84Å; N115-W155 HydrophobicContact CB-CH2 4.35Å; N115-W155 HydrophobicContact CB-CZ2 3.91Å; N115-W155 HydrophobicContact CB-CZ3 4.41Å
116Y87.1Confident94.8Very high71 Ų7129.8 Ų29.828%0.27815%0.152SC..THydrogen-bonded Turntrans-65.3-26.5-169.1-60.6-73.9000114W155 G156 S159 W196Y116-W155 HydrophobicContact CD2-CB 4.35Å; Y116-W155 HydrophobicContact CE2-CB 3.91Å; Y116-W155 PolarHBondContact OH-O 3.38Å; Y116-G156 VanDerWaalsContact CE2-O 3.28Å; Y116-G156 WeakPolarHBondContact CE2-O 3.35Å; Y116-S159 PolarHBondContact N-OG 2.81Å; Y116-W196 PolarHBondContact OH-O 3.42Å
117D82.3Confident94.8Very high73 Ų7322.5 Ų22.539%0.3912%0.121SC..THydrogen-bonded Turntrans-86.7-3.9176.6733.8000113.9T68 N115 T119T68-D117 WeakPolarHBondContact CG2-O 3.47Å; N115-D117 VanDerWaalsContact C-N 3.26Å; N115-D117 PolarHBondContact ND2-OD1 3.14Å; N115-D117 PolarHBondContact O-N 3.33Å; N115-D117 PolarHBondContact OD1-OD1 2.98Å; D117-T119 HydrophobicContact CB-CG2 4.3Å; D117-T119 VanDerWaalsContact CG-CG2 3.44Å; D117-T119 VanDerWaalsContact CG-OG1 3.28Å; D117-T119 PolarHBondContact O-N 2.93Å; D117-T119 VanDerWaalsContact OD1-CB 3.29Å; D117-T119 WeakPolarHBondContact OD1-CB 3.4Å; D117-T119 WeakPolarHBondContact OD1-CG2 3.31Å; D117-T119 PolarHBondContact OD1-N 3.42Å; D117-T119 PolarHBondContact OD1-OG1 3.13Å; D117-T119 WeakPolarHBondContact OD2-CG2 3.46Å; D117-T119 PolarHBondContact OD2-OG1 2.99Å; D117-T119 VanDerWaalsContact OD2-OG1 3.11Å
118G87.9Confident94.9Very high5 Ų521 Ų215%0.05211%0.106CC..SBendtrans68.414.2-179.800000114.7F65 N115F65-G118 VanDerWaalsContact CE2-O 3.22Å; F65-G118 WeakPolarHBondContact CE2-O 3.28Å; F65-G118 WeakPolarHBondContact CZ-O 3.35Å; N115-G118 PolarHBondContact O-N 3.4Å; N115-G118 PolarHBondContact OD1-N 3.45Å
119T90.3Very high94.9Very high61 Ų6123.1 Ų23.137%0.37412%0.115SC..SBendtrans-85.8-20.3-178.768.40000113.3N115 D117 R140N115-T119 PolarHBondContact ND2-OG1 3.42Å; N115-T119 PolarHBondContact OD1-N 3.49Å; D117-T119 HydrophobicContact CB-CG2 4.3Å; D117-T119 VanDerWaalsContact CG-CG2 3.44Å; D117-T119 VanDerWaalsContact CG-OG1 3.28Å; D117-T119 PolarHBondContact O-N 2.93Å; D117-T119 VanDerWaalsContact OD1-CB 3.29Å; D117-T119 WeakPolarHBondContact OD1-CB 3.4Å; D117-T119 WeakPolarHBondContact OD1-CG2 3.31Å; D117-T119 PolarHBondContact OD1-N 3.42Å; D117-T119 PolarHBondContact OD1-OG1 3.13Å; D117-T119 WeakPolarHBondContact OD2-CG2 3.46Å; D117-T119 PolarHBondContact OD2-OG1 2.99Å; D117-T119 VanDerWaalsContact OD2-OG1 3.11Å; T119-R140 PolarHBondContact O-NH1 2.7Å; T119-R140 PolarHBondContact O-NH2 2.94Å
120A94.3Very high94.9Very high4 Ų423.1 Ų23.13%0.03312%0.115CC..EExtended strand (participates in β ladder)trans-141.4144-176.500000113.5W114 N115 I132 W133 W155W114-A120 WeakPolarHBondContact CA-O 3.47Å; N115-A120 PolarHBondContact N-O 3.21Å; N115-A120 PolarHBondContact OD1-N 2.98Å; N115-A120 PolarHBondContact OD1-O 3.15Å; A120-I132 HydrophobicContact CB-CG2 3.85Å; A120-W133 CarbonylContact C-O 3.59Å; A120-W133 VanDerWaalsContact CA-O 3.27Å; A120-W133 WeakPolarHBondContact CA-O 3.32Å; A120-W155 HydrophobicContact CB-CH2 4.33Å; A120-W155 HydrophobicContact CB-CZ2 4.2Å
121L96.8Very high94.9Very high2 Ų223.1 Ų23.11%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-107.6129.4169.6176.267.7000108.9A81 F89 W114 T123 I132 W133A81-L121 HydrophobicContact CB-CD1 3.83Å; A81-L121 HydrophobicContact CB-CD2 4.02Å; F89-L121 HydrophobicContact CD2-CD2 3.75Å; F89-L121 HydrophobicContact CE2-CD2 3.71Å; F89-L121 HydrophobicContact CG-CD2 4.2Å; F89-L121 HydrophobicContact CZ-CD2 4.12Å; W114-L121 HydrophobicContact CD2-CB 4.18Å; W114-L121 HydrophobicContact CD2-CD1 3.98Å; W114-L121 HydrophobicContact CE3-CB 3.83Å; W114-L121 HydrophobicContact CE3-CD1 4.48Å; W114-L121 HydrophobicContact CG-CD1 4.14Å; W114-L121 HydrophobicContact CH2-CB 4.05Å; W114-L121 HydrophobicContact CZ2-CB 4.4Å; W114-L121 HydrophobicContact CZ2-CD2 4.44Å; W114-L121 HydrophobicContact CZ3-CB 3.76Å; L121-T123 HydrophobicContact CD2-CG2 4.28Å; L121-T123 HydrophobicContact CG-CG2 4.25Å; L121-I132 CarbonylContact O-C 3.5Å; L121-I132 WeakPolarHBondContact O-CA 3.18Å; L121-W133 HydrophobicContact CB-CB 4.3Å; L121-W133 PolarHBondContact N-O 2.92Å; L121-W133 PolarHBondContact O-N 3.37Å
122L97.8Very high94.9Very high0 Ų023.4 Ų23.40%012%0.115CC..EExtended strand (participates in β ladder)trans-96.5132.1171.9-170.669.8000109.4G112 R113 I130 K131 I132 V153 W155 V162G112-L122 CarbonylContact C-O 3.43Å; G112-L122 WeakPolarHBondContact CA-O 3.49Å; R113-L122 PolarHBondContact N-O 3.35Å; R113-L122 WeakPolarHBondContact O-CB 3.32Å; R113-L122 PolarHBondContact O-N 2.97Å; L122-I130 HydrophobicContact CD1-CG2 3.41Å; L122-I130 VanDerWaalsContact CD1-CG2 3.41Å; L122-I130 HydrophobicContact CG-CG2 4.04Å; L122-K131 WeakPolarHBondContact CA-O 3.38Å; L122-I132 HydrophobicContact CD1-CG1 3.89Å; L122-V153 HydrophobicContact CD2-CB 3.59Å; L122-V153 HydrophobicContact CD2-CG1 4.23Å; L122-V153 HydrophobicContact CD2-CG2 3.58Å; L122-V153 HydrophobicContact CG-CB 4.44Å; L122-V153 HydrophobicContact CG-CG2 4.07Å; L122-W155 HydrophobicContact CB-CZ2 3.73Å; L122-W155 HydrophobicContact CD1-CZ2 4.3Å; L122-W155 HydrophobicContact CG-CZ2 4.46Å; L122-V162 HydrophobicContact CD1-CG1 4.21Å; L122-V162 HydrophobicContact CD1-CG2 4.12Å; L122-V162 HydrophobicContact CD2-CB 4.38Å; L122-V162 HydrophobicContact CD2-CG1 3.43Å; L122-V162 VanDerWaalsContact CD2-CG1 3.43Å; L122-V162 HydrophobicContact CD2-CG2 4.06Å; L122-V162 HydrophobicContact CG-CG1 4.46Å
123T98.4Very high95Very high0 Ų023.9 Ų23.90%012%0.116CC..EExtended strand (participates in β ladder)trans-124.8146.7170.566.30000111.1F89 H105 V109 A111 L121 I130 K131 W133F89-T123 HydrophobicContact CD1-CG2 3.85Å; F89-T123 HydrophobicContact CE1-CG2 4.34Å; F89-T123 HydrophobicContact CG-CG2 4.38Å; H105-T123 PolarHBondContact NE2-OG1 3.43Å; V109-T123 HydrophobicContact CG1-CG2 4.33Å; A111-T123 WeakPolarHBondContact O-CA 3.02Å; L121-T123 HydrophobicContact CD2-CG2 4.28Å; L121-T123 HydrophobicContact CG-CG2 4.25Å; T123-I130 CarbonylContact O-C 3.52Å; T123-I130 WeakPolarHBondContact O-CA 3.42Å; T123-K131 PolarHBondContact N-O 3.26Å; T123-K131 PolarHBondContact O-N 2.95Å; T123-W133 PolarHBondContact OG1-NE1 3.28Å
124A98Very high94.8Very high0 Ų022.4 Ų22.40%011%0.112CC..EExtended strand (participates in β ladder)trans-129.8138.3176.200000110V109 L110 A111 I130 V150 V153V109-A124 CarbonylContact C-O 3.58Å; L110-A124 PolarHBondContact N-O 3.49Å; A111-A124 HydrophobicContact CB-CB 4.37Å; A111-A124 PolarHBondContact N-O 3.27Å; A111-A124 PolarHBondContact O-N 3.41Å; A124-I130 HydrophobicContact CB-CG1 4.44Å; A124-V150 HydrophobicContact CB-CB 3.83Å; A124-V150 HydrophobicContact CB-CG1 3.56Å; A124-V153 HydrophobicContact CB-CG1 3.56Å; A124-V153 HydrophobicContact CB-CG2 4.36Å
125G97.3Very high94.4Very high0 Ų025.7 Ų25.70%013%0.127CC..EExtended strand (participates in β ladder)trans-124166.2-174.100000114.8A108 D127 G128 Q129 V150A108-G125 VanDerWaalsContact O-CA 3.28Å; A108-G125 WeakPolarHBondContact O-CA 3.43Å; G125-D127 PolarHBondContact O-N 3.44Å; G125-G128 PolarHBondContact O-N 3.39Å; G125-G128 VanDerWaalsContact O-N 3.09Å; G125-Q129 PolarHBondContact N-O 2.57Å; G125-Q129 VanDerWaalsContact N-O 3.17Å; G125-V150 PolarHBondContact O-N 3.34Å
126E96.7Very high94.2Very high97 Ų9729.2 Ų29.245%0.45315%0.152SC..THydrogen-bonded Turntrans-61.2-27.9168.6-73.4179162.700112.7A108 L110 G128A108-E126 HydrophobicContact CB-CG 3.89Å; A108-E126 WeakPolarHBondContact CB-OE1 3.4Å; A108-E126 PolarHBondContact N-OE2 2.9Å; A108-E126 PolarHBondContact O-N 2.89Å; L110-E126 HydrophobicContact CD1-CG 3.75Å; L110-E126 HydrophobicContact CD2-CG 3.86Å; L110-E126 HydrophobicContact CG-CG 3.84Å; E126-G128 PolarHBondContact O-N 2.97Å; E126-G128 VanDerWaalsContact O-N 3.07Å
127D96.9Very high94.3Very high35 Ų3526 Ų2619%0.18714%0.141CC..THydrogen-bonded Turntrans-65.7-3.1172.462.311.4000114.1H105 K106 G125 Q129H105-D127 WeakPolarHBondContact CA-OD2 3.23Å; H105-D127 WeakPolarHBondContact CB-OD2 3.5Å; H105-D127 IonicContact CE1-OD1 3.03Å; H105-D127 IonicContact CG-OD1 3.19Å; H105-D127 IonicContact CG-OD2 2.76Å; H105-D127 IonicContact ND1-OD1 3.65Å; H105-D127 PolarHBondContact ND1-OD1 2.99Å; H105-D127 IonicContact ND1-OD2 3.82Å; H105-D127 PolarHBondContact ND1-OD2 2.79Å; K106-D127 HydrophobicContact CB-CB 4.28Å; K106-D127 PolarHBondContact N-OD2 3.37Å; K106-D127 WeakPolarHBondContact O-CB 3.37Å; G125-D127 PolarHBondContact O-N 3.44Å; D127-Q129 PolarHBondContact O-N 3.43Å; D127-Q129 VanDerWaalsContact OD1-CB 3.32Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.25Å; D127-Q129 PolarHBondContact OD1-N 3.14Å
128G96.5Very high94.9Very high0 Ų028.9 Ų28.90%015%0.153CC..SBendtrans70.516.2-179.100000113.7G125 E126 Q146 C148G125-G128 PolarHBondContact O-N 3.39Å; G125-G128 VanDerWaalsContact O-N 3.09Å; E126-G128 PolarHBondContact O-N 2.97Å; E126-G128 VanDerWaalsContact O-N 3.07Å; G128-Q146 WeakPolarHBondContact CA-O 3.23Å; G128-Q146 WeakPolarHBondContact O-CG 3.42Å; G128-Q146 PolarHBondContact O-N 2.98Å; G128-C148 WeakPolarHBondContact CA-O 3.18Å
129Q97.9Very high95.4Very high49 Ų4932.1 Ų32.123%0.22917%0.169CC..EExtended strand (participates in β ladder)trans-91.3148.2172.6-58.7-173.23.600110.9H105 G125 D127 T142 V144 T145H105-Q129 PolarHBondContact CE1-O 3.39Å; G125-Q129 PolarHBondContact N-O 2.57Å; G125-Q129 VanDerWaalsContact N-O 3.17Å; D127-Q129 PolarHBondContact O-N 3.43Å; D127-Q129 VanDerWaalsContact OD1-CB 3.32Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.25Å; D127-Q129 PolarHBondContact OD1-N 3.14Å; Q129-T142 HydrophobicContact CB-CG2 4.48Å; Q129-V144 WeakPolarHBondContact CA-O 3.37Å; Q129-T145 HydrophobicContact CG-CG2 4.18Å
130I98.1Very high95.7Very high0 Ų035.9 Ų35.90%018%0.177CC..EExtended strand (participates in β ladder)trans-121.8123.2168.2-57.7177.9000107.3L122 T123 A124 T142 L143 V144 V150 V153 Y164L122-I130 HydrophobicContact CD1-CG2 3.41Å; L122-I130 VanDerWaalsContact CD1-CG2 3.41Å; L122-I130 HydrophobicContact CG-CG2 4.04Å; T123-I130 CarbonylContact O-C 3.52Å; T123-I130 WeakPolarHBondContact O-CA 3.42Å; A124-I130 HydrophobicContact CB-CG1 4.44Å; I130-T142 CarbonylContact O-C 3.58Å; I130-L143 HydrophobicContact CG2-CB 4.43Å; I130-L143 HydrophobicContact CG2-CD2 4.45Å; I130-L143 PolarHBondContact O-N 3.34Å; I130-V144 HydrophobicContact CB-CB 4.02Å; I130-V144 HydrophobicContact CB-CG2 4.42Å; I130-V144 HydrophobicContact CD1-CB 4.03Å; I130-V144 HydrophobicContact CD1-CG2 4.08Å; I130-V144 HydrophobicContact CG1-CB 4.09Å; I130-V144 PolarHBondContact N-O 3.22Å; I130-V144 PolarHBondContact O-N 3.44Å; I130-V150 HydrophobicContact CD1-CG1 3.98Å; I130-V150 HydrophobicContact CD1-CG2 4.1Å; I130-V150 HydrophobicContact CG1-CB 4.47Å; I130-V150 HydrophobicContact CG1-CG1 4.17Å; I130-V150 HydrophobicContact CG1-CG2 3.95Å; I130-V153 HydrophobicContact CD1-CG1 4.24Å; I130-Y164 VanDerWaalsContact CD1-CB 3.44Å; I130-Y164 HydrophobicContact CD1-CD1 3.77Å; I130-Y164 HydrophobicContact CD1-CD2 3.45Å; I130-Y164 VanDerWaalsContact CD1-CD2 3.45Å; I130-Y164 HydrophobicContact CD1-CE1 4.35Å; I130-Y164 HydrophobicContact CD1-CE2 4.06Å; I130-Y164 HydrophobicContact CD1-CG 3.27Å
131K98.2Very high95.7Very high27 Ų2738 Ų3812%0.11719%0.191CC..EExtended strand (participates in β ladder)trans-122.6144.9-174.5-71.7176.5-176.7168.40111.1A104 L122 T123 W133 L139 S141 T142A104-K131 WeakPolarHBondContact O-CD 3.5Å; A104-K131 WeakPolarHBondContact O-CE 3.45Å; A104-K131 PolarHBondContact O-NZ 2.86Å; L122-K131 WeakPolarHBondContact CA-O 3.38Å; T123-K131 PolarHBondContact N-O 3.26Å; T123-K131 PolarHBondContact O-N 2.95Å; K131-W133 HydrophobicContact CB-CZ2 3.84Å; K131-W133 HydrophobicContact CD-CH2 4.21Å; K131-W133 HydrophobicContact CD-CZ2 3.56Å; K131-W133 HydrophobicContact CG-CZ2 4.32Å; K131-L139 HydrophobicContact CB-CD1 3.77Å; K131-L139 HydrophobicContact CD-CD1 3.94Å; K131-L139 HydrophobicContact CG-CD1 3.93Å; K131-S141 WeakPolarHBondContact CA-O 3.4Å; K131-T142 HydrophobicContact CG-CG2 4.21Å
132I97.8Very high95.7Very high9 Ų940.9 Ų40.95%0.04621%0.209CC..EExtended strand (participates in β ladder)trans-110.9129.1175.7-56.1178.4000108A120 L121 L122 R140 S141 L143 W155 L175A120-I132 HydrophobicContact CB-CG2 3.85Å; L121-I132 CarbonylContact O-C 3.5Å; L121-I132 WeakPolarHBondContact O-CA 3.18Å; L122-I132 HydrophobicContact CD1-CG1 3.89Å; I132-R140 HydrophobicContact CG2-CB 4.38Å; I132-R140 WeakPolarHBondContact O-CA 3.24Å; I132-R140 WeakPolarHBondContact O-CB 3.06Å; I132-R140 PolarHBondContact O-N 2.84Å; I132-S141 PolarHBondContact N-O 3.45Å; I132-S141 PolarHBondContact O-N 3.13Å; I132-L143 HydrophobicContact CD1-CB 4.28Å; I132-L143 HydrophobicContact CD1-CD1 4.41Å; I132-L143 HydrophobicContact CD1-CD2 4.32Å; I132-L143 HydrophobicContact CG1-CB 4.37Å; I132-W155 HydrophobicContact CD1-CH2 4.26Å; I132-W155 HydrophobicContact CG2-CH2 4.49Å; I132-L175 HydrophobicContact CD1-CD1 4.47Å; I132-L175 HydrophobicContact CD1-CD2 3.37Å
133W97.4Very high95.6Very high12 Ų1241.9 Ų41.95%0.04521%0.214CC..EExtended strand (participates in β ladder)trans-119.3150.2-177.4-49.384.4000110.3F89 V102 A104 A120 L121 T123 K131 M138 L139F89-W133 AromaticContact CE1-CD2 3.58Å; F89-W133 HydrophobicContact CE1-CD2 3.58Å; F89-W133 AromaticContact CE1-CE2 3.66Å; F89-W133 AromaticContact CE1-CE3 3.94Å; F89-W133 HydrophobicContact CE1-CE3 3.94Å; F89-W133 AromaticContact CE1-CG 3.88Å; F89-W133 HydrophobicContact CE1-CG 3.88Å; F89-W133 HydrophobicContact CE1-CH2 4.44Å; F89-W133 HydrophobicContact CE1-CZ2 4.11Å; F89-W133 HydrophobicContact CE1-CZ3 4.35Å; F89-W133 AromaticContact CE1-NE1 3.91Å; F89-W133 HydrophobicContact CZ-CB 4.31Å; F89-W133 AromaticContact CZ-CD2 3.95Å; F89-W133 HydrophobicContact CZ-CD2 3.95Å; F89-W133 HydrophobicContact CZ-CE3 4.13Å; F89-W133 AromaticContact CZ-CG 4Å; F89-W133 HydrophobicContact CZ-CG 4Å; V102-W133 HydrophobicContact CG1-CE3 3.96Å; V102-W133 HydrophobicContact CG1-CH2 3.98Å; V102-W133 HydrophobicContact CG1-CZ3 3.5Å; V102-W133 VanDerWaalsContact CG1-CZ3 3.5Å; A104-W133 HydrophobicContact CB-CH2 4.04Å; A104-W133 HydrophobicContact CB-CZ2 3.5Å; A120-W133 CarbonylContact C-O 3.59Å; A120-W133 VanDerWaalsContact CA-O 3.27Å; A120-W133 WeakPolarHBondContact CA-O 3.32Å; L121-W133 HydrophobicContact CB-CB 4.3Å; L121-W133 PolarHBondContact N-O 2.92Å; L121-W133 PolarHBondContact O-N 3.37Å; T123-W133 PolarHBondContact OG1-NE1 3.28Å; K131-W133 HydrophobicContact CB-CZ2 3.84Å; K131-W133 HydrophobicContact CD-CH2 4.21Å; K131-W133 HydrophobicContact CD-CZ2 3.56Å; K131-W133 HydrophobicContact CG-CZ2 4.32Å; W133-M138 CarbonylContact C-O 3.59Å; W133-M138 VanDerWaalsContact CA-O 3.25Å; W133-M138 WeakPolarHBondContact CA-O 3.43Å; W133-L139 HydrophobicContact CD2-CD1 4.07Å; W133-L139 HydrophobicContact CE3-CB 3.81Å; W133-L139 HydrophobicContact CE3-CD1 4.09Å; W133-L139 HydrophobicContact CH2-CB 4.21Å; W133-L139 HydrophobicContact CH2-CD1 3.94Å; W133-L139 HydrophobicContact CZ2-CD1 3.92Å; W133-L139 HydrophobicContact CZ3-CB 3.6Å; W133-L139 HydrophobicContact CZ3-CD1 4.03Å; W133-L139 HydrophobicContact CZ3-CG 4.34Å
134S93.8Very high95.4Very high13 Ų1342.5 Ų42.59%0.09122%0.218CC..EExtended strand (participates in β ladder)trans-70.1164.8166.469.90000110.7S136 G137 M138S134-S136 PolarHBondContact O-N 3.34Å; S134-S136 PolarHBondContact OG-N 3.22Å; S134-S136 PolarHBondContact OG-OG 3.15Å; S134-G137 WeakPolarHBondContact O-CA 3.5Å; S134-G137 PolarHBondContact O-N 3.48Å; S134-G137 PolarHBondContact OG-N 3.35Å; S134-M138 PolarHBondContact N-O 2.66Å; S134-M138 WeakPolarHBondContact OG-CB 3.36Å; S134-M138 PolarHBondContact OG-N 2.94Å; S134-M138 PolarHBondContact OG-O 3.38Å
135K87.2Confident95.2Very high76 Ų7647.2 Ų47.233%0.3325%0.247SC..THydrogen-bonded Turntrans-54.1-32.4168.7-178.2176-179166.70113.5F65 L91 W114 G137F65-K135 HydrophobicContact CE2-CD 3.71Å; F65-K135 HydrophobicContact CE2-CG 4.08Å; F65-K135 HydrophobicContact CZ-CD 3.93Å; L91-K135 WeakPolarHBondContact CD1-O 3.29Å; W114-K135 HydrophobicContact CH2-CB 4.36Å; W114-K135 HydrophobicContact CH2-CG 4.23Å; W114-K135 HydrophobicContact CZ3-CB 4.18Å; W114-K135 HydrophobicContact CZ3-CG 4.38Å; K135-G137 PolarHBondContact O-N 2.87Å
136S87.6Confident94.9Very high79 Ų7948.7 Ų48.755%0.55225%0.254SS*.THydrogen-bonded Turntrans-77.41.3176.258.80000113.5K100 S134K100-S136 VanDerWaalsContact CD-O 3.26Å; K100-S136 WeakPolarHBondContact CD-O 3.41Å; K100-S136 WeakPolarHBondContact CE-O 3.44Å; K100-S136 PolarHBondContact NZ-O 2.86Å; S134-S136 PolarHBondContact O-N 3.34Å; S134-S136 PolarHBondContact OG-N 3.22Å; S134-S136 PolarHBondContact OG-OG 3.15Å
137G89.8Confident94.5Very high5 Ų547.9 Ų47.95%0.05227%0.272CS..SBendtrans72.233.2-17800000113.5K100 S134 K135K100-G137 VanDerWaalsContact NZ-C 3.34Å; K100-G137 PolarHBondContact NZ-O 3.09Å; S134-G137 WeakPolarHBondContact O-CA 3.5Å; S134-G137 PolarHBondContact O-N 3.48Å; S134-G137 PolarHBondContact OG-N 3.35Å; K135-G137 PolarHBondContact O-N 2.87Å
138M95.3Very high94.4Very high132 Ų13246.9 Ų46.965%0.6527%0.267SS*.  trans-95.8134.6171.2-177.6-179.3173.600109.1W133 S134 R140W133-M138 CarbonylContact C-O 3.59Å; W133-M138 VanDerWaalsContact CA-O 3.25Å; W133-M138 WeakPolarHBondContact CA-O 3.43Å; S134-M138 PolarHBondContact N-O 2.66Å; S134-M138 WeakPolarHBondContact OG-CB 3.36Å; S134-M138 PolarHBondContact OG-N 2.94Å; S134-M138 PolarHBondContact OG-O 3.38Å; M138-R140 PolarHBondContact O-N 3.38Å
139L97.6Very high94.4Very high73 Ų7349 Ų4938%0.38228%0.281SS..EExtended strand (participates in β ladder)trans-65.4117.7176.2-176.662.4000109.6K131 W133 S141K131-L139 HydrophobicContact CB-CD1 3.77Å; K131-L139 HydrophobicContact CD-CD1 3.94Å; K131-L139 HydrophobicContact CG-CD1 3.93Å; W133-L139 HydrophobicContact CD2-CD1 4.07Å; W133-L139 HydrophobicContact CE3-CB 3.81Å; W133-L139 HydrophobicContact CE3-CD1 4.09Å; W133-L139 HydrophobicContact CH2-CB 4.21Å; W133-L139 HydrophobicContact CH2-CD1 3.94Å; W133-L139 HydrophobicContact CZ2-CD1 3.92Å; W133-L139 HydrophobicContact CZ3-CB 3.6Å; W133-L139 HydrophobicContact CZ3-CD1 4.03Å; W133-L139 HydrophobicContact CZ3-CG 4.34Å; L139-S141 WeakPolarHBondContact CD1-O 3.37Å
140R95.8Very high94.4Very high141 Ų14146.7 Ų46.753%0.53227%0.27SS..EExtended strand (participates in β ladder)trans-86.3-46.2173.5-69.9-176.2173.5-179.34.3111T119 I132 M138T119-R140 PolarHBondContact O-NH1 2.7Å; T119-R140 PolarHBondContact O-NH2 2.94Å; I132-R140 HydrophobicContact CG2-CB 4.38Å; I132-R140 WeakPolarHBondContact O-CA 3.24Å; I132-R140 WeakPolarHBondContact O-CB 3.06Å; I132-R140 PolarHBondContact O-N 2.84Å; M138-R140 PolarHBondContact O-N 3.38Å
141S95.4Very high94.4Very high48 Ų4850.6 Ų50.634%0.33629%0.286SS..EExtended strand (participates in β ladder)trans-161153.5179.861.70000112.1K131 I132 L139K131-S141 WeakPolarHBondContact CA-O 3.4Å; I132-S141 PolarHBondContact N-O 3.45Å; I132-S141 PolarHBondContact O-N 3.13Å; L139-S141 WeakPolarHBondContact CD1-O 3.37Å
142T96.4Very high94.4Very high63 Ų6349.5 Ų49.539%0.38728%0.281SS..EExtended strand (participates in β ladder)trans-94.4104.9161.2-58.40000107Q129 I130 K131Q129-T142 HydrophobicContact CB-CG2 4.48Å; I130-T142 CarbonylContact O-C 3.58Å; K131-T142 HydrophobicContact CG-CG2 4.21Å
143L95.1Very high94.4Very high21 Ų2149.1 Ų49.111%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-73.6-44.3-173.3-176.267.5000111.2I130 I132 V162 K173 L175I130-L143 HydrophobicContact CG2-CB 4.43Å; I130-L143 HydrophobicContact CG2-CD2 4.45Å; I130-L143 PolarHBondContact O-N 3.34Å; I132-L143 HydrophobicContact CD1-CB 4.28Å; I132-L143 HydrophobicContact CD1-CD1 4.41Å; I132-L143 HydrophobicContact CD1-CD2 4.32Å; I132-L143 HydrophobicContact CG1-CB 4.37Å; L143-V162 HydrophobicContact CD2-CB 3.79Å; L143-V162 HydrophobicContact CD2-CG1 4.14Å; L143-V162 HydrophobicContact CD2-CG2 3.74Å; L143-K173 HydrophobicContact CD1-CD 4.08Å; L143-K173 HydrophobicContact CD1-CG 4.24Å; L143-K173 HydrophobicContact CD2-CD 4.46Å; L143-K173 HydrophobicContact CD2-CG 4.47Å; L143-K173 HydrophobicContact CG-CD 3.94Å; L143-K173 HydrophobicContact CG-CG 4.34Å; L143-K173 VanDerWaalsContact O-CE 3.32Å; L143-K173 WeakPolarHBondContact O-CE 3.48Å; L143-K173 PolarHBondContact O-NZ 3.12Å; L143-L175 HydrophobicContact CD1-CD2 3.74Å; L143-L175 HydrophobicContact CD2-CD2 4.05Å
144V94.4Very high94.4Very high12 Ų1248.8 Ų48.87%0.07328%0.279CS..EExtended strand (participates in β ladder)trans-134.1146-178.5-177.60000109.4Q129 I130 Q146 Y164 K173Q129-V144 WeakPolarHBondContact CA-O 3.37Å; I130-V144 HydrophobicContact CB-CB 4.02Å; I130-V144 HydrophobicContact CB-CG2 4.42Å; I130-V144 HydrophobicContact CD1-CB 4.03Å; I130-V144 HydrophobicContact CD1-CG2 4.08Å; I130-V144 HydrophobicContact CG1-CB 4.09Å; I130-V144 PolarHBondContact N-O 3.22Å; I130-V144 PolarHBondContact O-N 3.44Å; V144-Q146 HydrophobicContact CG1-CB 4.42Å; V144-Q146 HydrophobicContact CG1-CG 4.37Å; V144-Y164 HydrophobicContact CG1-CE2 4.1Å; V144-Y164 HydrophobicContact CG2-CE1 3.88Å; V144-Y164 HydrophobicContact CG2-CE2 4.45Å; V144-K173 HydrophobicContact CG2-CD 3.58Å
145T94.4Very high94.5Very high99 Ų9948.5 Ų48.561%0.60728%0.276SS*.EExtended strand (participates in β ladder)trans-134.8108.9166.1-570000107Q129Q129-T145 HydrophobicContact CG-CG2 4.18Å
146Q90.7Very high94.8Very high31 Ų3144.9 Ų44.915%0.14526%0.26CS..  trans-124.1158.1175.860.8174.616.700110.3G128 V144 C148 V150 T165 S166G128-Q146 WeakPolarHBondContact CA-O 3.23Å; G128-Q146 WeakPolarHBondContact O-CG 3.42Å; G128-Q146 PolarHBondContact O-N 2.98Å; V144-Q146 HydrophobicContact CG1-CB 4.42Å; V144-Q146 HydrophobicContact CG1-CG 4.37Å; Q146-C148 PolarHBondContact NE2-O 3.17Å; Q146-C148 PolarHBondContact O-N 3.47Å; Q146-V150 HydrophobicContact CG-CG2 4.3Å; Q146-T165 PolarHBondContact NE2-O 3.46Å; Q146-S166 PolarHBondContact OE1-OG 3.32Å
147G89.4Confident94.9Very high81 Ų8141.8 Ų41.884%0.83524%0.239SC*.SBendtrans-84.627.8-178.200000114.6
148C94.6Very high94.7Very high13 Ų1346.2 Ų46.29%0.08826%0.261CS..SBendtrans-149.1150178.756.40000112.1G128 Q146 R167G128-C148 WeakPolarHBondContact CA-O 3.18Å; Q146-C148 PolarHBondContact NE2-O 3.17Å; Q146-C148 PolarHBondContact O-N 3.47Å; C148-R167 HydrophobicContact CB-CG 4.22Å
149P96.6Very high94.4Very high46 Ų4640.5 Ų40.530%0.29923%0.234SC..  trans-53.1142.1178.6-27.935.4000113L110 Y151L110-P149 HydrophobicContact CD1-CB 4.13Å; P149-Y151 HydrophobicContact CB-CE1 4.49Å; P149-Y151 HydrophobicContact CB-CE2 4.39Å
150V97.9Very high94.2Very high0 Ų039.3 Ų39.30%023%0.228CC..  trans-106.3100.9172.2179.90000107.7A124 G125 I130 Q146 V153A124-V150 HydrophobicContact CB-CB 3.83Å; A124-V150 HydrophobicContact CB-CG1 3.56Å; G125-V150 PolarHBondContact O-N 3.34Å; I130-V150 HydrophobicContact CD1-CG1 3.98Å; I130-V150 HydrophobicContact CD1-CG2 4.1Å; I130-V150 HydrophobicContact CG1-CB 4.47Å; I130-V150 HydrophobicContact CG1-CG1 4.17Å; I130-V150 HydrophobicContact CG1-CG2 3.95Å; Q146-V150 HydrophobicContact CG-CG2 4.3Å; V150-V153 HydrophobicContact CG1-CG1 3.69Å
151Y97.5Very high94.1Very high82 Ų8236.2 Ų36.232%0.32222%0.216SC..  trans-72.7-30.4-174.5-68.2-71.9000113.7L110 P149 T165 L190L110-Y151 HydrophobicContact CD1-CD1 4.03Å; L110-Y151 HydrophobicContact CD1-CE1 4.4Å; P149-Y151 HydrophobicContact CB-CE1 4.49Å; P149-Y151 HydrophobicContact CB-CE2 4.39Å; Y151-T165 PolarHBondContact N-OG1 3.44Å; Y151-L190 HydrophobicContact CE2-CD1 4.16Å
152S97.8Very high94.2Very high3 Ų333.9 Ų33.92%0.02120%0.2CC..  trans-155.4147.3-173.5-170.60000111.6T165 V194S152-T165 PolarHBondContact N-OG1 2.95Å; S152-T165 VanDerWaalsContact N-OG1 3.1Å; S152-T165 PolarHBondContact O-N 2.88Å; S152-T165 PolarHBondContact O-OG1 3.04Å; S152-T165 VanDerWaalsContact O-OG1 3.06Å; S152-V194 WeakPolarHBondContact OG-CG2 3.48Å; S152-V194 PolarHBondContact OG-N 2.94Å; S152-V194 PolarHBondContact OG-O 3.48Å
153V97.9Very high94.3Very high1 Ų130.9 Ų30.91%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-140.3152.8179.9-63.80000110.6A111 R113 L122 A124 I130 V150 L163A111-V153 HydrophobicContact CB-CG2 3.92Å; R113-V153 HydrophobicContact CG-CG2 4.31Å; L122-V153 HydrophobicContact CD2-CB 3.59Å; L122-V153 HydrophobicContact CD2-CG1 4.23Å; L122-V153 HydrophobicContact CD2-CG2 3.58Å; L122-V153 HydrophobicContact CG-CB 4.44Å; L122-V153 HydrophobicContact CG-CG2 4.07Å; A124-V153 HydrophobicContact CB-CG1 3.56Å; A124-V153 HydrophobicContact CB-CG2 4.36Å; I130-V153 HydrophobicContact CD1-CG1 4.24Å; V150-V153 HydrophobicContact CG1-CG1 3.69Å; V153-L163 CarbonylContact C-O 3.58Å; V153-L163 VanDerWaalsContact CA-O 3.25Å; V153-L163 WeakPolarHBondContact CA-O 3.42Å
154A97.4Very high94.4Very high6 Ų630.6 Ų30.65%0.0518%0.18CC..EExtended strand (participates in β ladder)trans-144.6152.917300000110.8V162 L163 V194 W196A154-V162 WeakPolarHBondContact O-CA 3.45Å; A154-L163 HydrophobicContact CB-CB 4.42Å; A154-L163 PolarHBondContact N-O 3.09Å; A154-L163 PolarHBondContact O-N 3.35Å; A154-V194 HydrophobicContact CB-CG2 4.48Å; A154-W196 HydrophobicContact CB-CB 3.92Å
155W96.7Very high94.6Very high6 Ų630 Ų302%0.02318%0.176CC..EExtended strand (participates in β ladder)trans-86.7143.2171.9-74.3100.3000110.1R113 N115 Y116 A120 L122 I132 S159 V162 L175R113-W155 PolarHBondContact O-NE1 2.9Å; N115-W155 VanDerWaalsContact CA-CD1 3.47Å; N115-W155 HydrophobicContact CB-CD2 3.56Å; N115-W155 VanDerWaalsContact CB-CE2 3.49Å; N115-W155 HydrophobicContact CB-CE3 4.04Å; N115-W155 HydrophobicContact CB-CG 3.84Å; N115-W155 HydrophobicContact CB-CH2 4.35Å; N115-W155 HydrophobicContact CB-CZ2 3.91Å; N115-W155 HydrophobicContact CB-CZ3 4.41Å; Y116-W155 HydrophobicContact CD2-CB 4.35Å; Y116-W155 HydrophobicContact CE2-CB 3.91Å; Y116-W155 PolarHBondContact OH-O 3.38Å; A120-W155 HydrophobicContact CB-CH2 4.33Å; A120-W155 HydrophobicContact CB-CZ2 4.2Å; L122-W155 HydrophobicContact CB-CZ2 3.73Å; L122-W155 HydrophobicContact CD1-CZ2 4.3Å; L122-W155 HydrophobicContact CG-CZ2 4.46Å; I132-W155 HydrophobicContact CD1-CH2 4.26Å; I132-W155 HydrophobicContact CG2-CH2 4.49Å; W155-S159 WeakPolarHBondContact CZ3-O 3.39Å; W155-V162 HydrophobicContact CD2-CG2 4.36Å; W155-V162 HydrophobicContact CE3-CG2 3.82Å; W155-V162 HydrophobicContact CH2-CG2 4.13Å; W155-V162 HydrophobicContact CZ3-CG2 3.69Å; W155-L175 HydrophobicContact CH2-CD1 4.3Å; W155-L175 HydrophobicContact CZ3-CD1 3.89Å; W155-L175 HydrophobicContact CZ3-CG 4.44Å
156G93.1Very high94.7Very high0 Ų026 Ų260%015%0.152CC..  trans-70.6160.5166.300000111.5Y116 D158 S159 R161Y116-G156 VanDerWaalsContact CE2-O 3.28Å; Y116-G156 WeakPolarHBondContact CE2-O 3.35Å; G156-D158 PolarHBondContact O-N 2.65Å; G156-S159 PolarHBondContact O-N 3.19Å; G156-R161 PolarHBondContact N-O 3.37Å
157P88.5Confident94.9Very high15 Ų1532 Ų3210%0.09717%0.173CC..THydrogen-bonded Turntrans-52.3-34.7-173.3-28.133.8000115.1D201 R413P157-D201 WeakPolarHBondContact CD-OD1 3.31Å; P157-D201 HydrophobicContact CG-CB 4.22Å; P157-D201 VanDerWaalsContact CG-OD1 3.25Å; P157-D201 WeakPolarHBondContact CG-OD1 3.17Å; P157-R413 PolarHBondContact O-NH2 2.9Å
158D85.6Confident95.3Very high98 Ų9834.5 Ų34.552%0.52416%0.157SC..THydrogen-bonded Turntrans-923.6-178.7-60-41.4000113.6G156 D160G156-D158 PolarHBondContact O-N 2.65Å; D158-D160 PolarHBondContact O-N 2.92Å; D158-D160 VanDerWaalsContact O-N 3.12Å
159S90.5Very high95.5Very high11 Ų1137.5 Ų37.58%0.07717%0.17CC..SBendtrans58.218.2-175.5-55.30000114.4Y116 W155 G156Y116-S159 PolarHBondContact N-OG 2.81Å; W155-S159 WeakPolarHBondContact CZ3-O 3.39Å; G156-S159 PolarHBondContact O-N 3.19Å
160D91.6Very high95.5Very high49 Ų4935.3 Ų35.326%0.26216%0.156SC..SBendtrans-100.8-9179.676.6-33.3000113D158 L175D158-D160 PolarHBondContact O-N 2.92Å; D158-D160 VanDerWaalsContact O-N 3.12Å; D160-L175 WeakPolarHBondContact O-CB 3.48Å; D160-L175 WeakPolarHBondContact O-CG 3.47Å; D160-L175 PolarHBondContact O-N 3.38Å
161R94.4Very high95.5Very high75 Ų7535.7 Ų35.728%0.28316%0.158SC..EExtended strand (participates in β ladder)trans-131.6149.8-178.4-67.2169.1-160.4-163.17.3110.6G156 I172 P174 W196G156-R161 PolarHBondContact N-O 3.37Å; R161-I172 HydrophobicContact CB-CG2 4.09Å; R161-I172 HydrophobicContact CG-CG2 4.36Å; R161-P174 HydrophobicContact CG-CB 4.35Å; R161-P174 HydrophobicContact CG-CG 4.49Å; R161-W196 HydrophobicContact CB-CH2 4.2Å; R161-W196 HydrophobicContact CB-CZ3 4.23Å
162V97.1Very high95.6Very high0 Ų031.8 Ų31.80%014%0.143CC..EExtended strand (participates in β ladder)trans-124.1124175.7172.90000109.1L122 L143 A154 W155 I172 K173 L175L122-V162 HydrophobicContact CD1-CG1 4.21Å; L122-V162 HydrophobicContact CD1-CG2 4.12Å; L122-V162 HydrophobicContact CD2-CB 4.38Å; L122-V162 HydrophobicContact CD2-CG1 3.43Å; L122-V162 VanDerWaalsContact CD2-CG1 3.43Å; L122-V162 HydrophobicContact CD2-CG2 4.06Å; L122-V162 HydrophobicContact CG-CG1 4.46Å; L143-V162 HydrophobicContact CD2-CB 3.79Å; L143-V162 HydrophobicContact CD2-CG1 4.14Å; L143-V162 HydrophobicContact CD2-CG2 3.74Å; A154-V162 WeakPolarHBondContact O-CA 3.45Å; W155-V162 HydrophobicContact CD2-CG2 4.36Å; W155-V162 HydrophobicContact CE3-CG2 3.82Å; W155-V162 HydrophobicContact CH2-CG2 4.13Å; W155-V162 HydrophobicContact CZ3-CG2 3.69Å; V162-I172 CarbonylContact O-C 3.52Å; V162-I172 WeakPolarHBondContact O-CA 3.35Å; V162-K173 PolarHBondContact N-O 3.38Å; V162-K173 PolarHBondContact O-N 3.47Å; V162-L175 HydrophobicContact CG2-CD2 4.24Å
163L98.3Very high95.5Very high0 Ų034.5 Ų34.50%015%0.154CC..EExtended strand (participates in β ladder)trans-89.9135.8166.9174.470000109.1V153 A154 L170 I171 I172 W184 V194 W196 I203V153-L163 CarbonylContact C-O 3.58Å; V153-L163 VanDerWaalsContact CA-O 3.25Å; V153-L163 WeakPolarHBondContact CA-O 3.42Å; A154-L163 HydrophobicContact CB-CB 4.42Å; A154-L163 PolarHBondContact N-O 3.09Å; A154-L163 PolarHBondContact O-N 3.35Å; L163-L170 HydrophobicContact CD1-CB 4.1Å; L163-L170 HydrophobicContact CD1-CD2 4.34Å; L163-I171 WeakPolarHBondContact CA-O 3.42Å; L163-I172 HydrophobicContact CB-CG1 4.45Å; L163-I172 HydrophobicContact CD1-CG1 3.74Å; L163-W184 HydrophobicContact CD1-CH2 4.15Å; L163-V194 HydrophobicContact CD2-CB 3.95Å; L163-V194 HydrophobicContact CD2-CG1 4.41Å; L163-V194 HydrophobicContact CD2-CG2 4.12Å; L163-V194 HydrophobicContact CG-CG2 4.33Å; L163-W196 HydrophobicContact CB-CE3 3.58Å; L163-W196 HydrophobicContact CB-CZ3 3.91Å; L163-W196 HydrophobicContact CD2-CE3 4.42Å; L163-I203 HydrophobicContact CD1-CD1 4.41Å; L163-I203 HydrophobicContact CD2-CB 4.37Å; L163-I203 HydrophobicContact CD2-CD1 4.16Å; L163-I203 HydrophobicContact CD2-CG1 4.12Å; L163-I203 HydrophobicContact CD2-CG2 3.4Å; L163-I203 VanDerWaalsContact CD2-CG2 3.4Å
164Y98.1Very high95.3Very high15 Ų1535 Ų356%0.05916%0.157CC..EExtended strand (participates in β ladder)trans-147.5161.1174.167.4-82.8000112.9I130 V144 I171 K173I130-Y164 VanDerWaalsContact CD1-CB 3.44Å; I130-Y164 HydrophobicContact CD1-CD1 3.77Å; I130-Y164 HydrophobicContact CD1-CD2 3.45Å; I130-Y164 VanDerWaalsContact CD1-CD2 3.45Å; I130-Y164 HydrophobicContact CD1-CE1 4.35Å; I130-Y164 HydrophobicContact CD1-CE2 4.06Å; I130-Y164 HydrophobicContact CD1-CG 3.27Å; V144-Y164 HydrophobicContact CG1-CE2 4.1Å; V144-Y164 HydrophobicContact CG2-CE1 3.88Å; V144-Y164 HydrophobicContact CG2-CE2 4.45Å; Y164-I171 HydrophobicContact CD1-CB 4.13Å; Y164-I171 HydrophobicContact CD1-CG2 4.47Å; Y164-I171 VanDerWaalsContact CD1-O 3.23Å; Y164-I171 WeakPolarHBondContact CD1-O 3.36Å; Y164-I171 HydrophobicContact CD2-CB 4.44Å; Y164-I171 HydrophobicContact CE1-CB 3.56Å; Y164-I171 HydrophobicContact CE1-CG2 3.53Å; Y164-I171 HydrophobicContact CE2-CB 3.95Å; Y164-I171 HydrophobicContact CE2-CD1 3.81Å; Y164-I171 HydrophobicContact CE2-CG1 4.27Å; Y164-I171 HydrophobicContact CE2-CG2 4.46Å; Y164-I171 VanDerWaalsContact CZ-CB 3.47Å; Y164-I171 PolarHBondContact N-O 2.83Å; Y164-I171 PolarHBondContact O-N 3.39Å; Y164-I171 WeakPolarHBondContact OH-CD1 3.28Å; Y164-I171 VanDerWaalsContact OH-CG2 3.31Å; Y164-I171 WeakPolarHBondContact OH-CG2 3.32Å; Y164-K173 HydrophobicContact CE1-CB 3.94Å
165T97.7Very high95Very high0 Ų037.9 Ų37.90%017%0.171CC..EExtended strand (participates in β ladder)trans-88.2137.317949.30000111.4Q146 Y151 S152 L170 V191 V194Q146-T165 PolarHBondContact NE2-O 3.46Å; Y151-T165 PolarHBondContact N-OG1 3.44Å; S152-T165 PolarHBondContact N-OG1 2.95Å; S152-T165 VanDerWaalsContact N-OG1 3.1Å; S152-T165 PolarHBondContact O-N 2.88Å; S152-T165 PolarHBondContact O-OG1 3.04Å; S152-T165 VanDerWaalsContact O-OG1 3.06Å; T165-L170 HydrophobicContact CG2-CD2 4.04Å; T165-V191 HydrophobicContact CG2-CB 3.79Å; T165-V191 HydrophobicContact CG2-CG1 3.59Å; T165-V194 HydrophobicContact CG2-CG1 3.56Å; T165-V194 HydrophobicContact CG2-CG2 4.34Å
166S96.6Very high94.7Very high14 Ų1443.1 Ų43.110%0.09820%0.196CC..EExtended strand (participates in β ladder)trans-14094.3172.7-168.50000110Q146 R168 Q169Q146-S166 PolarHBondContact OE1-OG 3.32Å; S166-R168 PolarHBondContact O-N 3.12Å; S166-Q169 PolarHBondContact N-O 2.85Å; S166-Q169 WeakPolarHBondContact O-CB 3.38Å; S166-Q169 PolarHBondContact O-N 3.41Å
167R96.2Very high94Very high156 Ų15649.6 Ų49.659%0.58924%0.238SC*.THydrogen-bonded Turntrans51.9-106-172.3-59175.2-179.9-110.20.1111.5C148 L190 V191C148-R167 HydrophobicContact CB-CG 4.22Å; R167-L190 HydrophobicContact CB-CD2 4.04Å; R167-L190 HydrophobicContact CG-CD2 4.42Å; R167-L190 CarbonylContact O-C 3.41Å; R167-L190 WeakPolarHBondContact O-CA 3.37Å; R167-V191 PolarHBondContact O-N 3.35Å
168R97.7Very high93.7Very high134 Ų13454 Ų5451%0.50627%0.27SS..THydrogen-bonded Turntrans-95.4-0.5-178.6-54.1-165.8178.8175.4-1.4113.4S166 A186 H187 D188 G189S166-R168 PolarHBondContact O-N 3.12Å; R168-A186 PolarHBondContact O-N 3.36Å; R168-H187 WeakPolarHBondContact CB-O 3.33Å; R168-H187 PolarHBondContact O-N 3.3Å; R168-H187 VanDerWaalsContact O-N 3.16Å; R168-D188 WeakPolarHBondContact CD-O 3.18Å; R168-D188 PolarHBondContact NE-O 2.84Å; R168-D188 VanDerWaalsContact NE-O 3.16Å; R168-D188 PolarHBondContact NH1-O 2.9Å; R168-G189 WeakPolarHBondContact CA-O 3.45Å; R168-G189 WeakPolarHBondContact CG-O 3.49Å
169Q97.8Very high93.9Very high76 Ų7652.2 Ų52.236%0.35526%0.262SS..EExtended strand (participates in β ladder)trans-110.4154.7-172.5-63.9178.9-29.400111.5S166 W184S166-Q169 PolarHBondContact N-O 2.85Å; S166-Q169 WeakPolarHBondContact O-CB 3.38Å; S166-Q169 PolarHBondContact O-N 3.41Å; Q169-W184 VanDerWaalsContact CA-O 3.22Å; Q169-W184 WeakPolarHBondContact CA-O 3.4Å; Q169-W184 WeakPolarHBondContact CB-O 3.47Å
170L98.2Very high93.9Very high0 Ų060.5 Ų60.50%030%0.297CS..EExtended strand (participates in β ladder)trans-109.7140.8164-69.6178000109.1L163 T165 Q183 W184 A186 V191 V194 I203L163-L170 HydrophobicContact CD1-CB 4.1Å; L163-L170 HydrophobicContact CD1-CD2 4.34Å; T165-L170 HydrophobicContact CG2-CD2 4.04Å; L170-Q183 VanDerWaalsContact O-CA 3.27Å; L170-Q183 WeakPolarHBondContact O-CA 3.47Å; L170-W184 HydrophobicContact CB-CD2 4.13Å; L170-W184 HydrophobicContact CB-CE3 4.41Å; L170-W184 HydrophobicContact CB-CH2 3.91Å; L170-W184 HydrophobicContact CB-CZ2 3.59Å; L170-W184 HydrophobicContact CB-CZ3 4.31Å; L170-W184 HydrophobicContact CD1-CH2 4.46Å; L170-W184 HydrophobicContact CD1-CZ2 3.58Å; L170-W184 HydrophobicContact CG-CZ2 4.24Å; L170-W184 PolarHBondContact N-O 2.93Å; L170-W184 PolarHBondContact O-N 2.93Å; L170-A186 HydrophobicContact CB-CB 4.21Å; L170-A186 HydrophobicContact CD1-CB 3.59Å; L170-A186 HydrophobicContact CG-CB 3.5Å; L170-A186 VanDerWaalsContact CG-CB 3.5Å; L170-V191 HydrophobicContact CD2-CG1 4.02Å; L170-V194 HydrophobicContact CD2-CG1 3.35Å; L170-I203 HydrophobicContact CD1-CG2 4.44Å
171I98Very high94.1Very high8 Ų861.8 Ų61.84%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-132.1124.9-179.7-51.6180000108.5L163 Y164 V181 I182 Q183L163-I171 WeakPolarHBondContact CA-O 3.42Å; Y164-I171 HydrophobicContact CD1-CB 4.13Å; Y164-I171 HydrophobicContact CD1-CG2 4.47Å; Y164-I171 VanDerWaalsContact CD1-O 3.23Å; Y164-I171 WeakPolarHBondContact CD1-O 3.36Å; Y164-I171 HydrophobicContact CD2-CB 4.44Å; Y164-I171 HydrophobicContact CE1-CB 3.56Å; Y164-I171 HydrophobicContact CE1-CG2 3.53Å; Y164-I171 HydrophobicContact CE2-CB 3.95Å; Y164-I171 HydrophobicContact CE2-CD1 3.81Å; Y164-I171 HydrophobicContact CE2-CG1 4.27Å; Y164-I171 HydrophobicContact CE2-CG2 4.46Å; Y164-I171 VanDerWaalsContact CZ-CB 3.47Å; Y164-I171 PolarHBondContact N-O 2.83Å; Y164-I171 PolarHBondContact O-N 3.39Å; Y164-I171 WeakPolarHBondContact OH-CD1 3.28Å; Y164-I171 VanDerWaalsContact OH-CG2 3.31Å; Y164-I171 WeakPolarHBondContact OH-CG2 3.32Å; I171-V181 HydrophobicContact CG2-CG1 3.42Å; I171-V181 VanDerWaalsContact CG2-CG1 3.42Å; I171-I182 CarbonylContact C-O 3.58Å; I171-I182 WeakPolarHBondContact CA-O 3.41Å; I171-Q183 HydrophobicContact CB-CB 4.37Å; I171-Q183 HydrophobicContact CG1-CB 3.85Å; I171-Q183 HydrophobicContact CG2-CB 4.24Å
172I97.8Very high94.2Very high1 Ų160.5 Ų60.51%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-98.7117167.9-61.7170000107.5R161 V162 L163 V181 I182 W184 W196 I203 S217R161-I172 HydrophobicContact CB-CG2 4.09Å; R161-I172 HydrophobicContact CG-CG2 4.36Å; V162-I172 CarbonylContact O-C 3.52Å; V162-I172 WeakPolarHBondContact O-CA 3.35Å; L163-I172 HydrophobicContact CB-CG1 4.45Å; L163-I172 HydrophobicContact CD1-CG1 3.74Å; I172-V181 WeakPolarHBondContact O-CG1 3.13Å; I172-I182 HydrophobicContact CB-CB 4.31Å; I172-I182 PolarHBondContact N-O 3.44Å; I172-I182 PolarHBondContact O-N 3.26Å; I172-W184 HydrophobicContact CD1-CH2 3.74Å; I172-W184 HydrophobicContact CD1-CZ3 3.77Å; I172-W184 HydrophobicContact CG1-CH2 3.96Å; I172-W184 HydrophobicContact CG1-CZ3 3.89Å; I172-W196 HydrophobicContact CD1-CH2 3.84Å; I172-W196 HydrophobicContact CD1-CZ2 4.48Å; I172-W196 HydrophobicContact CD1-CZ3 4.17Å; I172-W196 HydrophobicContact CG1-CH2 4.21Å; I172-W196 HydrophobicContact CG1-CZ3 4.07Å; I172-W196 HydrophobicContact CG2-CH2 3.92Å; I172-W196 HydrophobicContact CG2-CZ3 4.01Å; I172-I203 HydrophobicContact CD1-CD1 3.72Å; I172-I203 HydrophobicContact CG1-CD1 4.42Å; I172-S217 WeakPolarHBondContact CD1-O 3.31Å
173K95.7Very high94.1Very high59 Ų5966.2 Ų66.226%0.25733%0.331SS..EExtended strand (participates in β ladder)trans-110.4114174.7-178.3161-178.4167.70110.5L143 V144 V162 Y164 V181L143-K173 HydrophobicContact CD1-CD 4.08Å; L143-K173 HydrophobicContact CD1-CG 4.24Å; L143-K173 HydrophobicContact CD2-CD 4.46Å; L143-K173 HydrophobicContact CD2-CG 4.47Å; L143-K173 HydrophobicContact CG-CD 3.94Å; L143-K173 HydrophobicContact CG-CG 4.34Å; L143-K173 VanDerWaalsContact O-CE 3.32Å; L143-K173 WeakPolarHBondContact O-CE 3.48Å; L143-K173 PolarHBondContact O-NZ 3.12Å; V144-K173 HydrophobicContact CG2-CD 3.58Å; V162-K173 PolarHBondContact N-O 3.38Å; V162-K173 PolarHBondContact O-N 3.47Å; Y164-K173 HydrophobicContact CE1-CB 3.94Å; K173-V181 HydrophobicContact CG-CG2 4.39Å
174P94.4Very high94.1Very high11 Ų1167.6 Ų67.67%0.07134%0.337CS..EExtended strand (participates in β ladder)trans-62.6147.3167.2-19.932.4000111.5R161 Q176 T179R161-P174 HydrophobicContact CG-CB 4.35Å; R161-P174 HydrophobicContact CG-CG 4.49Å; P174-Q176 VanDerWaalsContact C-N 3.32Å; P174-T179 HydrophobicContact CB-CG2 3.94Å; P174-T179 HydrophobicContact CG-CG2 3.52Å
175L91.7Very high94.1Very high67 Ų6772.7 Ų72.735%0.35136%0.359SS..SBendtrans-73.6-27.7171.9-65.3-170.4000112I132 L143 W155 D160 V162 P177I132-L175 HydrophobicContact CD1-CD1 4.47Å; I132-L175 HydrophobicContact CD1-CD2 3.37Å; L143-L175 HydrophobicContact CD1-CD2 3.74Å; L143-L175 HydrophobicContact CD2-CD2 4.05Å; W155-L175 HydrophobicContact CH2-CD1 4.3Å; W155-L175 HydrophobicContact CZ3-CD1 3.89Å; W155-L175 HydrophobicContact CZ3-CG 4.44Å; D160-L175 WeakPolarHBondContact O-CB 3.48Å; D160-L175 WeakPolarHBondContact O-CG 3.47Å; D160-L175 PolarHBondContact O-N 3.38Å; V162-L175 HydrophobicContact CG2-CD2 4.24Å; L175-P177 WeakPolarHBondContact O-CD 3.47Å
176Q89.5Confident94.1Very high116 Ų11672.8 Ų72.854%0.54236%0.359SS..SBendtrans-76.7122.7175.2-67.2-173.2500110.6P174 S178 T179P174-Q176 VanDerWaalsContact C-N 3.32Å; Q176-S178 VanDerWaalsContact C-N 3.25Å; Q176-S178 PolarHBondContact O-N 2.8Å; Q176-T179 PolarHBondContact O-N 3.1Å
177P79.4Confident94.2Very high137 Ų13772.1 Ų72.189%0.8936%0.355SS*.THydrogen-bonded Turntrans-62.6-24.9-174.5-25.434.5000115.5L175 T179L175-P177 WeakPolarHBondContact O-CD 3.47Å; P177-T179 VanDerWaalsContact C-N 3.33Å
178S81.3Confident94.3Very high108 Ų10868.7 Ų68.776%0.75535%0.348SS*.THydrogen-bonded Turntrans-78.1-16.5-177.647.70000113.8Q176Q176-S178 VanDerWaalsContact C-N 3.25Å; Q176-S178 PolarHBondContact O-N 2.8Å
179T89.3Confident94.2Very high60 Ų6062.7 Ų62.737%0.36833%0.328SS..SBendtrans-88.4135.5-174.9-52.10000110.4P174 Q176 P177P174-T179 HydrophobicContact CB-CG2 3.94Å; P174-T179 HydrophobicContact CG-CG2 3.52Å; Q176-T179 PolarHBondContact O-N 3.1Å; P177-T179 VanDerWaalsContact C-N 3.33Å
180K92Very high94.2Very high184 Ų18461.2 Ų61.280%0.832%0.322SS*.PPolyproline II helixtrans-64.8138.5-177.4-67.5-177.9179.9178.60111.3
181V94.8Very high94.2Very high76 Ų7661.2 Ų61.246%0.46132%0.322SS..PPolyproline II helixtrans-72.9133.7169.3177.10000108.8I171 I172 K173I171-V181 HydrophobicContact CG2-CG1 3.42Å; I171-V181 VanDerWaalsContact CG2-CG1 3.42Å; I172-V181 WeakPolarHBondContact O-CG1 3.13Å; K173-V181 HydrophobicContact CG-CG2 4.39Å
182I96.2Very high94.2Very high48 Ų4862.5 Ų62.525%0.24633%0.329CS..EExtended strand (participates in β ladder)trans-104.1131.3174.6-55.8174.3000107.3I171 I172 W184I171-I182 CarbonylContact C-O 3.58Å; I171-I182 WeakPolarHBondContact CA-O 3.41Å; I172-I182 HydrophobicContact CB-CB 4.31Å; I172-I182 PolarHBondContact N-O 3.44Å; I172-I182 PolarHBondContact O-N 3.26Å; I182-W184 HydrophobicContact CG2-CE3 3.96Å; I182-W184 HydrophobicContact CG2-CZ3 3.98Å
183Q96.6Very high94.2Very high120 Ų12063.6 Ų63.656%0.56133%0.334SS*.EExtended strand (participates in β ladder)trans-144.2143.1176.263.9-179.36.900110.8L170 I171L170-Q183 VanDerWaalsContact O-CA 3.27Å; L170-Q183 WeakPolarHBondContact O-CA 3.47Å; I171-Q183 HydrophobicContact CB-CB 4.37Å; I171-Q183 HydrophobicContact CG1-CB 3.85Å; I171-Q183 HydrophobicContact CG2-CB 4.24Å
184W98.3Very high94.4Very high30 Ų3061 Ų6111%0.11432%0.323CS..EExtended strand (participates in β ladder)trans-148.7157.6177.866103000111.1L163 Q169 L170 I172 I182 A186 I203 W215L163-W184 HydrophobicContact CD1-CH2 4.15Å; Q169-W184 VanDerWaalsContact CA-O 3.22Å; Q169-W184 WeakPolarHBondContact CA-O 3.4Å; Q169-W184 WeakPolarHBondContact CB-O 3.47Å; L170-W184 HydrophobicContact CB-CD2 4.13Å; L170-W184 HydrophobicContact CB-CE3 4.41Å; L170-W184 HydrophobicContact CB-CH2 3.91Å; L170-W184 HydrophobicContact CB-CZ2 3.59Å; L170-W184 HydrophobicContact CB-CZ3 4.31Å; L170-W184 HydrophobicContact CD1-CH2 4.46Å; L170-W184 HydrophobicContact CD1-CZ2 3.58Å; L170-W184 HydrophobicContact CG-CZ2 4.24Å; L170-W184 PolarHBondContact N-O 2.93Å; L170-W184 PolarHBondContact O-N 2.93Å; I172-W184 HydrophobicContact CD1-CH2 3.74Å; I172-W184 HydrophobicContact CD1-CZ3 3.77Å; I172-W184 HydrophobicContact CG1-CH2 3.96Å; I172-W184 HydrophobicContact CG1-CZ3 3.89Å; I182-W184 HydrophobicContact CG2-CE3 3.96Å; I182-W184 HydrophobicContact CG2-CZ3 3.98Å; W184-A186 PolarHBondContact O-N 3.24Å; W184-I203 HydrophobicContact CH2-CD1 4.14Å; W184-W215 AromaticContact CD1-CE3 3.79Å; W184-W215 AromaticContact CD1-CH2 3.83Å; W184-W215 AromaticContact CD1-CZ3 3.47Å; W184-W215 VanDerWaalsContact CD1-CZ3 3.47Å; W184-W215 HydrophobicContact CZ2-CB 4.44Å; W184-W215 HydrophobicContact CZ2-CD2 4.46Å; W184-W215 HydrophobicContact CZ2-CG 4.33Å; W184-W215 AromaticContact NE1-CD2 3.48Å; W184-W215 AromaticContact NE1-CE2 3.79Å; W184-W215 AromaticContact NE1-CE3 3.23Å; W184-W215 AromaticContact NE1-CH2 3.71Å; W184-W215 AromaticContact NE1-CZ2 3.89Å; W184-W215 AromaticContact NE1-CZ3 3.36Å
185K98.1Very high94.5Very high122 Ų12262.1 Ų62.153%0.5333%0.328SS..EExtended strand (participates in β ladder)trans-75.1110.8170.6-176.6-174.6173.3-165.10108.2H187 D188K185-H187 WeakPolarHBondContact CE-O 3.4Å; K185-D188 WeakPolarHBondContact CE-OD1 3.13Å; K185-D188 IonicContact NZ-OD1 2.77Å; K185-D188 PolarHBondContact NZ-OD1 3.36Å
186A97.7Very high94.8Very high1 Ų159.1 Ų59.11%0.00831%0.312CS..  trans-90.6-43.1-176.900000112.1R168 L170 W184 V191 K213 W215R168-A186 PolarHBondContact O-N 3.36Å; L170-A186 HydrophobicContact CB-CB 4.21Å; L170-A186 HydrophobicContact CD1-CB 3.59Å; L170-A186 HydrophobicContact CG-CB 3.5Å; L170-A186 VanDerWaalsContact CG-CB 3.5Å; W184-A186 PolarHBondContact O-N 3.24Å; A186-V191 HydrophobicContact CB-CG2 4.34Å; A186-K213 VanDerWaalsContact O-CD 3.28Å; A186-K213 WeakPolarHBondContact O-CD 3.41Å; A186-K213 WeakPolarHBondContact O-CE 3.35Å; A186-K213 PolarHBondContact O-NZ 2.73Å; A186-W215 HydrophobicContact CB-CH2 4.15Å; A186-W215 HydrophobicContact CB-CZ2 3.68Å; A186-W215 WeakPolarHBondContact O-CZ2 3.48Å
187H98.3Very high95Very high1 Ų153.9 Ų53.91%0.00529%0.288CS..  trans-131.3165.6-173.8-73.1-94.7000112.1R168 K185 V191 S205 D209 K211R168-H187 WeakPolarHBondContact CB-O 3.33Å; R168-H187 PolarHBondContact O-N 3.3Å; R168-H187 VanDerWaalsContact O-N 3.16Å; K185-H187 WeakPolarHBondContact CE-O 3.4Å; H187-V191 HydrophobicContact CB-CG2 4.09Å; H187-S205 PolarHBondContact CD2-OG 2.99Å; H187-S205 WeakPolarHBondContact NE2-CB 3.35Å; H187-S205 PolarHBondContact NE2-OG 3.19Å; H187-D209 WeakPolarHBondContact CA-OD2 3.39Å; H187-D209 VanDerWaalsContact CB-OD2 3.28Å; H187-D209 WeakPolarHBondContact CB-OD2 3.37Å; H187-D209 IonicContact CE1-OD1 3.52Å; H187-D209 IonicContact CG-OD1 3.14Å; H187-D209 IonicContact CG-OD2 3.25Å; H187-D209 IonicContact ND1-OD1 3.43Å; H187-D209 PolarHBondContact ND1-OD1 2.92Å; H187-D209 IonicContact ND1-OD2 2.84Å; H187-D209 PolarHBondContact ND1-OD2 2.92Å; H187-K211 PolarHBondContact CE1-O 2.8Å; H187-K211 VanDerWaalsContact CE1-O 3.24Å
188D97.4Very high95.5Very high84 Ų8448.4 Ų48.445%0.44925%0.253SS..SBendtrans-90.8-7.4173.1-70.7-50.7000113.1R168 K185 D209R168-D188 WeakPolarHBondContact CD-O 3.18Å; R168-D188 PolarHBondContact NE-O 2.84Å; R168-D188 VanDerWaalsContact NE-O 3.16Å; R168-D188 PolarHBondContact NH1-O 2.9Å; K185-D188 WeakPolarHBondContact CE-OD1 3.13Å; K185-D188 IonicContact NZ-OD1 2.77Å; K185-D188 PolarHBondContact NZ-OD1 3.36Å; D188-D209 HydrophobicContact CB-CB 4.22Å; D188-D209 PolarHBondContact N-OD2 3.24Å
189G96.8Very high95.9Very high8 Ų843.6 Ų43.68%0.08222%0.219CC..SBendtrans-124.6-173.3171.200000112R168R168-G189 WeakPolarHBondContact CA-O 3.45Å; R168-G189 WeakPolarHBondContact CG-O 3.49Å
190L97.7Very high96Very high44 Ų4442.4 Ų42.423%0.2321%0.211CC..  trans-61.5138.8175.1-63.1174.9000110.4Y151 R167 L192 G207 E208Y151-L190 HydrophobicContact CE2-CD1 4.16Å; R167-L190 HydrophobicContact CB-CD2 4.04Å; R167-L190 HydrophobicContact CG-CD2 4.42Å; R167-L190 CarbonylContact O-C 3.41Å; R167-L190 WeakPolarHBondContact O-CA 3.37Å; L190-L192 HydrophobicContact CB-CD2 4.33Å; L190-G207 CarbonylContact O-C 3.52Å; L190-G207 WeakPolarHBondContact O-CA 3.44Å; L190-E208 HydrophobicContact CB-CG 4.08Å; L190-E208 WeakPolarHBondContact CB-OE2 3.5Å; L190-E208 VanDerWaalsContact CG-OE2 3.29Å; L190-E208 WeakPolarHBondContact CG-OE2 3.29Å; L190-E208 PolarHBondContact N-OE2 3.34Å; L190-E208 PolarHBondContact O-N 3.48Å
191V98.4Very high96Very high0 Ų036.2 Ų36.20%019%0.186CC..EExtended strand (participates in β ladder)trans-83.8117.6170.2-168.60000108.1T165 R167 L170 A186 H187 V194T165-V191 HydrophobicContact CG2-CB 3.79Å; T165-V191 HydrophobicContact CG2-CG1 3.59Å; R167-V191 PolarHBondContact O-N 3.35Å; L170-V191 HydrophobicContact CD2-CG1 4.02Å; A186-V191 HydrophobicContact CB-CG2 4.34Å; H187-V191 HydrophobicContact CB-CG2 4.09Å; V191-V194 HydrophobicContact CG1-CG1 4.02Å
192L97.9Very high96Very high35 Ų3533.9 Ų33.918%0.18317%0.171CC..EExtended strand (participates in β ladder)trans-96.5-34.6-172.2-61.5178.3000112.2L190 G206 E208 P231 T233L190-L192 HydrophobicContact CB-CD2 4.33Å; L192-G206 PolarHBondContact N-O 2.67Å; L192-E208 HydrophobicContact CD1-CG 3.98Å; L192-E208 HydrophobicContact CD2-CG 4.18Å; L192-E208 HydrophobicContact CG-CG 4.17Å; L192-P231 HydrophobicContact CD1-CB 4.08Å; L192-T233 HydrophobicContact CD1-CG2 4.39Å
193K98Very high96.1Very high24 Ų2431.6 Ų31.610%0.10416%0.159CC..EExtended strand (participates in β ladder)trans-142.1143.5-178.9-148.279.7175-170.30111.3S205 G206 L235K193-S205 WeakPolarHBondContact O-CA 3.41Å; K193-G206 PolarHBondContact N-O 2.98Å; K193-G206 PolarHBondContact O-N 2.98Å; K193-L235 HydrophobicContact CB-CB 4.49Å; K193-L235 HydrophobicContact CB-CD1 4.47Å; K193-L235 HydrophobicContact CG-CB 4.48Å
194V98.3Very high96.2Very high6 Ų625.9 Ų25.94%0.03613%0.133CC..EExtended strand (participates in β ladder)trans-133.1156.2169.5-62.60000110.5S152 A154 L163 T165 L170 V191 L204S152-V194 WeakPolarHBondContact OG-CG2 3.48Å; S152-V194 PolarHBondContact OG-N 2.94Å; S152-V194 PolarHBondContact OG-O 3.48Å; A154-V194 HydrophobicContact CB-CG2 4.48Å; L163-V194 HydrophobicContact CD2-CB 3.95Å; L163-V194 HydrophobicContact CD2-CG1 4.41Å; L163-V194 HydrophobicContact CD2-CG2 4.12Å; L163-V194 HydrophobicContact CG-CG2 4.33Å; T165-V194 HydrophobicContact CG2-CG1 3.56Å; T165-V194 HydrophobicContact CG2-CG2 4.34Å; L170-V194 HydrophobicContact CD2-CG1 3.35Å; V191-V194 HydrophobicContact CG1-CG1 4.02Å; V194-L204 VanDerWaalsContact CA-O 3.25Å; V194-L204 WeakPolarHBondContact CA-O 3.44Å
195D97.8Very high96.2Very high34 Ų3424.5 Ų24.518%0.18213%0.127CC..EExtended strand (participates in β ladder)trans-147.4150.8167.6-159.85.8000109.6I203 L204 S236 W237D195-I203 WeakPolarHBondContact O-CA 3.49Å; D195-L204 PolarHBondContact N-O 3.45Å; D195-L204 VanDerWaalsContact N-O 3.14Å; D195-L204 PolarHBondContact O-N 3.49Å; D195-S236 WeakPolarHBondContact OD2-CA 3.38Å; D195-W237 PolarHBondContact OD2-N 2.82Å
196W97.1Very high96.2Very high3 Ų318.7 Ų18.71%0.01110%0.102CC..EExtended strand (participates in β ladder)trans-132.8121.1179.2-164-14000108.3Y116 A154 R161 L163 I172 D201 I203Y116-W196 PolarHBondContact OH-O 3.42Å; A154-W196 HydrophobicContact CB-CB 3.92Å; R161-W196 HydrophobicContact CB-CH2 4.2Å; R161-W196 HydrophobicContact CB-CZ3 4.23Å; L163-W196 HydrophobicContact CB-CE3 3.58Å; L163-W196 HydrophobicContact CB-CZ3 3.91Å; L163-W196 HydrophobicContact CD2-CE3 4.42Å; I172-W196 HydrophobicContact CD1-CH2 3.84Å; I172-W196 HydrophobicContact CD1-CZ2 4.48Å; I172-W196 HydrophobicContact CD1-CZ3 4.17Å; I172-W196 HydrophobicContact CG1-CH2 4.21Å; I172-W196 HydrophobicContact CG1-CZ3 4.07Å; I172-W196 HydrophobicContact CG2-CH2 3.92Å; I172-W196 HydrophobicContact CG2-CZ3 4.01Å; W196-D201 WeakPolarHBondContact CZ2-OD1 3.33Å; W196-D201 PolarHBondContact NE1-O 3.27Å; W196-D201 PolarHBondContact NE1-OD1 2.96Å; W196-I203 HydrophobicContact CB-CG1 4.31Å; W196-I203 HydrophobicContact CD2-CD1 3.98Å; W196-I203 HydrophobicContact CD2-CG1 3.72Å; W196-I203 HydrophobicContact CE3-CD1 4.28Å; W196-I203 HydrophobicContact CE3-CG1 4.41Å; W196-I203 HydrophobicContact CG-CD1 4.44Å; W196-I203 HydrophobicContact CG-CG1 3.66Å; W196-I203 HydrophobicContact CH2-CD1 4.46Å; W196-I203 HydrophobicContact CZ2-CD1 4.19Å
197N94.7Very high96.2Very high7 Ų718.6 Ų18.64%0.03710%0.102CC..  trans-84.7134.5-177.2-176.9-86.1000111.5V199 N200 D201 L202 W237 A238 G241N197-V199 WeakPolarHBondContact OD1-CA 3.26Å; N197-V199 VanDerWaalsContact OD1-CB 3.26Å; N197-V199 WeakPolarHBondContact OD1-CB 3.25Å; N197-V199 PolarHBondContact OD1-N 3.32Å; N197-N200 VanDerWaalsContact CB-OD1 3.28Å; N197-N200 WeakPolarHBondContact CB-OD1 3.34Å; N197-N200 PolarHBondContact OD1-N 3.12Å; N197-N200 PolarHBondContact OD1-OD1 2.73Å; N197-D201 WeakPolarHBondContact O-CA 3.28Å; N197-D201 PolarHBondContact O-N 3.17Å; N197-L202 PolarHBondContact N-O 3.48Å; N197-W237 HydrophobicContact CB-CB 4.23Å; N197-W237 HydrophobicContact CB-CD2 3.8Å; N197-W237 HydrophobicContact CB-CE3 4.45Å; N197-W237 HydrophobicContact CB-CG 3.67Å; N197-A238 PolarHBondContact ND2-O 3.02Å; N197-G241 VanDerWaalsContact ND2-CA 3.26Å; N197-G241 WeakPolarHBondContact ND2-CA 3.49Å
198S89.4Confident96.2Very high22 Ų2223 Ų2315%0.15412%0.122CC..THydrogen-bonded Turntrans-78.8-16-178.851.80000114.8
199V89.6Confident96.2Very high7 Ų720.1 Ų20.14%0.04211%0.107CC..THydrogen-bonded Turntrans-91-49.2-176.1-175.30000111.1N197 P239N197-V199 WeakPolarHBondContact OD1-CA 3.26Å; N197-V199 VanDerWaalsContact OD1-CB 3.26Å; N197-V199 WeakPolarHBondContact OD1-CB 3.25Å; N197-V199 PolarHBondContact OD1-N 3.32Å; V199-P239 VanDerWaalsContact CG2-O 3.28Å; V199-P239 WeakPolarHBondContact CG2-O 3.4Å
200N90.3Very high96.2Very high35 Ų3520.7 Ų20.719%0.18711%0.109CC..THydrogen-bonded Turntrans-105-3.8-172.771.121000114.4N197 L202 G241N197-N200 VanDerWaalsContact CB-OD1 3.28Å; N197-N200 WeakPolarHBondContact CB-OD1 3.34Å; N197-N200 PolarHBondContact OD1-N 3.12Å; N197-N200 PolarHBondContact OD1-OD1 2.73Å; N200-L202 HydrophobicContact CB-CG 4.34Å; N200-L202 PolarHBondContact O-N 3.3Å; N200-L202 WeakPolarHBondContact OD1-CB 3.5Å; N200-L202 WeakPolarHBondContact OD1-CG 3.3Å; N200-L202 PolarHBondContact OD1-N 2.96Å; N200-G241 PolarHBondContact ND2-O 3.31Å
201D92.1Very high96.2Very high53 Ų5321.4 Ų21.428%0.28311%0.11SC..  trans58.222.3-178.2-164.135.8000114.9P157 W196 N197 S217P157-D201 WeakPolarHBondContact CD-OD1 3.31Å; P157-D201 HydrophobicContact CG-CB 4.22Å; P157-D201 VanDerWaalsContact CG-OD1 3.25Å; P157-D201 WeakPolarHBondContact CG-OD1 3.17Å; W196-D201 WeakPolarHBondContact CZ2-OD1 3.33Å; W196-D201 PolarHBondContact NE1-O 3.27Å; W196-D201 PolarHBondContact NE1-OD1 2.96Å; N197-D201 WeakPolarHBondContact O-CA 3.28Å; N197-D201 PolarHBondContact O-N 3.17Å; D201-S217 WeakPolarHBondContact OD2-CB 3.16Å; D201-S217 PolarHBondContact OD2-OG 3.49Å
202L95.8Very high96.2Very high28 Ų2821.5 Ų21.515%0.14711%0.111CC..  trans-91.7145.1177-59.2-178.5000112.3N197 N200 V214 L222 W237 K257N197-L202 PolarHBondContact N-O 3.48Å; N200-L202 HydrophobicContact CB-CG 4.34Å; N200-L202 PolarHBondContact O-N 3.3Å; N200-L202 WeakPolarHBondContact OD1-CB 3.5Å; N200-L202 WeakPolarHBondContact OD1-CG 3.3Å; N200-L202 PolarHBondContact OD1-N 2.96Å; L202-V214 HydrophobicContact CB-CG1 4.4Å; L202-V214 HydrophobicContact CD1-CG1 4.29Å; L202-L222 HydrophobicContact CD2-CD1 3.52Å; L202-W237 HydrophobicContact CB-CH2 4.13Å; L202-W237 HydrophobicContact CB-CZ2 3.62Å; L202-W237 HydrophobicContact CD1-CH2 4.11Å; L202-W237 HydrophobicContact CD1-CZ2 4.42Å; L202-W237 PolarHBondContact O-NE1 3.41Å; L202-K257 HydrophobicContact CD1-CB 4.44Å
203I98.4Very high96.2Very high0 Ų020.9 Ų20.90%011%0.107CC..EExtended strand (participates in β ladder)trans-108.3136.8179.9-66169.2000109.9L163 L170 I172 W184 D195 W196 V214 W215L163-I203 HydrophobicContact CD1-CD1 4.41Å; L163-I203 HydrophobicContact CD2-CB 4.37Å; L163-I203 HydrophobicContact CD2-CD1 4.16Å; L163-I203 HydrophobicContact CD2-CG1 4.12Å; L163-I203 HydrophobicContact CD2-CG2 3.4Å; L163-I203 VanDerWaalsContact CD2-CG2 3.4Å; L170-I203 HydrophobicContact CD1-CG2 4.44Å; I172-I203 HydrophobicContact CD1-CD1 3.72Å; I172-I203 HydrophobicContact CG1-CD1 4.42Å; W184-I203 HydrophobicContact CH2-CD1 4.14Å; D195-I203 WeakPolarHBondContact O-CA 3.49Å; W196-I203 HydrophobicContact CB-CG1 4.31Å; W196-I203 HydrophobicContact CD2-CD1 3.98Å; W196-I203 HydrophobicContact CD2-CG1 3.72Å; W196-I203 HydrophobicContact CE3-CD1 4.28Å; W196-I203 HydrophobicContact CE3-CG1 4.41Å; W196-I203 HydrophobicContact CG-CD1 4.44Å; W196-I203 HydrophobicContact CG-CG1 3.66Å; W196-I203 HydrophobicContact CH2-CD1 4.46Å; W196-I203 HydrophobicContact CZ2-CD1 4.19Å; I203-V214 CarbonylContact O-C 3.53Å; I203-V214 WeakPolarHBondContact O-CA 3.4Å; I203-W215 HydrophobicContact CB-CB 4.19Å; I203-W215 PolarHBondContact N-O 3Å; I203-W215 PolarHBondContact O-N 3.04Å
204L98.3Very high96.2Very high0 Ų019.8 Ų19.80%010%0.102CC..EExtended strand (participates in β ladder)trans-108.2144.4169.5-66.4173000110.9V194 D195 K213 V214 L235 W237 F244V194-L204 VanDerWaalsContact CA-O 3.25Å; V194-L204 WeakPolarHBondContact CA-O 3.44Å; D195-L204 PolarHBondContact N-O 3.45Å; D195-L204 VanDerWaalsContact N-O 3.14Å; D195-L204 PolarHBondContact O-N 3.49Å; L204-K213 WeakPolarHBondContact CA-O 3.48Å; L204-V214 HydrophobicContact CD2-CB 4.38Å; L204-V214 HydrophobicContact CD2-CG1 4.38Å; L204-V214 HydrophobicContact CD2-CG2 3.75Å; L204-L235 HydrophobicContact CB-CD1 4.45Å; L204-W237 HydrophobicContact CD1-CD2 3.66Å; L204-W237 HydrophobicContact CD1-CE3 4.42Å; L204-W237 HydrophobicContact CD1-CG 3.79Å; L204-W237 HydrophobicContact CD1-CZ2 3.91Å; L204-W237 HydrophobicContact CD2-CH2 4.38Å; L204-W237 HydrophobicContact CD2-CZ2 3.74Å; L204-W237 HydrophobicContact CG-CD2 4.2Å; L204-W237 HydrophobicContact CG-CG 4.5Å; L204-W237 HydrophobicContact CG-CZ2 3.58Å; L204-W237 VanDerWaalsContact CG-NE1 3.32Å; L204-F244 HydrophobicContact CD1-CB 3.51Å; L204-F244 HydrophobicContact CD1-CD1 4.03Å; L204-F244 HydrophobicContact CD1-CD2 3.64Å; L204-F244 HydrophobicContact CD1-CE2 4.29Å; L204-F244 HydrophobicContact CD1-CG 3.48Å; L204-F244 VanDerWaalsContact CD1-CG 3.48Å; L204-F244 HydrophobicContact CD2-CD1 3.94Å; L204-F244 HydrophobicContact CD2-CD2 4.02Å; L204-F244 HydrophobicContact CD2-CE1 3.72Å; L204-F244 HydrophobicContact CD2-CE2 3.83Å; L204-F244 HydrophobicContact CD2-CG 4.07Å; L204-F244 HydrophobicContact CD2-CZ 3.67Å; L204-F244 HydrophobicContact CG-CD2 4.49Å; L204-F244 HydrophobicContact CG-CG 4.42Å
205S98.6Very high96.2Very high0 Ų020 Ų200%010%0.102CC..EExtended strand (participates in β ladder)trans-144.1148.8169.969.20000112.3H187 K193 Y212 K213 W215H187-S205 PolarHBondContact CD2-OG 2.99Å; H187-S205 WeakPolarHBondContact NE2-CB 3.35Å; H187-S205 PolarHBondContact NE2-OG 3.19Å; K193-S205 WeakPolarHBondContact O-CA 3.41Å; S205-Y212 CarbonylContact O-C 3.53Å; S205-Y212 WeakPolarHBondContact O-CA 3.38Å; S205-K213 PolarHBondContact N-O 2.79Å; S205-K213 PolarHBondContact O-N 2.85Å; S205-W215 PolarHBondContact OG-NE1 3.38Å
206G98.1Very high96Very high0 Ų020 Ų200%010%0.102CC..EExtended strand (participates in β ladder)trans-146.1145.2179.800000110.2L192 K193 K211 L235L192-G206 PolarHBondContact N-O 2.67Å; K193-G206 PolarHBondContact N-O 2.98Å; K193-G206 PolarHBondContact O-N 2.98Å; G206-K211 WeakPolarHBondContact CA-O 3.38Å; G206-L235 VanDerWaalsContact CA-CD1 3.48Å
207G97.2Very high95.8Very high0 Ų020.1 Ų20.10%010%0.103CC..EExtended strand (participates in β ladder)trans-152.8-171.9-172.800000115.5L190 D209 C210 K211 I232L190-G207 CarbonylContact O-C 3.52Å; L190-G207 WeakPolarHBondContact O-CA 3.44Å; G207-D209 PolarHBondContact O-N 3.36Å; G207-C210 PolarHBondContact O-N 3.17Å; G207-K211 PolarHBondContact N-O 3.31Å; G207-I232 PolarHBondContact O-N 3.39Å
208E98Very high95.7Very high93 Ų9325 Ų2544%0.43513%0.125SC..THydrogen-bonded Turntrans-71.5-11.3179.1-66.8-179.415300114.1L190 L192 C210L190-E208 HydrophobicContact CB-CG 4.08Å; L190-E208 WeakPolarHBondContact CB-OE2 3.5Å; L190-E208 VanDerWaalsContact CG-OE2 3.29Å; L190-E208 WeakPolarHBondContact CG-OE2 3.29Å; L190-E208 PolarHBondContact N-OE2 3.34Å; L190-E208 PolarHBondContact O-N 3.48Å; L192-E208 HydrophobicContact CD1-CG 3.98Å; L192-E208 HydrophobicContact CD2-CG 4.18Å; L192-E208 HydrophobicContact CG-CG 4.17Å; E208-C210 PolarHBondContact O-N 2.91Å
209D97.5Very high95.9Very high23 Ų2324.6 Ų24.612%0.12312%0.124CC..THydrogen-bonded Turntrans-77.312169.967.2-5.5000112.8H187 D188 G207 K211H187-D209 WeakPolarHBondContact CA-OD2 3.39Å; H187-D209 VanDerWaalsContact CB-OD2 3.28Å; H187-D209 WeakPolarHBondContact CB-OD2 3.37Å; H187-D209 IonicContact CE1-OD1 3.52Å; H187-D209 IonicContact CG-OD1 3.14Å; H187-D209 IonicContact CG-OD2 3.25Å; H187-D209 IonicContact ND1-OD1 3.43Å; H187-D209 PolarHBondContact ND1-OD1 2.92Å; H187-D209 IonicContact ND1-OD2 2.84Å; H187-D209 PolarHBondContact ND1-OD2 2.92Å; D188-D209 HydrophobicContact CB-CB 4.22Å; D188-D209 PolarHBondContact N-OD2 3.24Å; G207-D209 PolarHBondContact O-N 3.36Å; D209-K211 PolarHBondContact O-N 3.1Å; D209-K211 VanDerWaalsContact O-N 3.12Å; D209-K211 PolarHBondContact OD1-N 3.48Å
210C97.8Very high96.1Very high20 Ų2032.1 Ų32.114%0.13515%0.151CC..SBendtrans56.624.8178.8-52.80000113.6G207 E208 Q228 Y230G207-C210 PolarHBondContact O-N 3.17Å; E208-C210 PolarHBondContact O-N 2.91Å; C210-Q228 HydrophobicContact CB-CB 4.42Å; C210-Q228 WeakPolarHBondContact CB-O 3.44Å; C210-Q228 WeakPolarHBondContact O-CB 3.14Å; C210-Q228 PolarHBondContact O-N 3.41Å; C210-Y230 WeakPolarHBondContact CB-O 3.33Å; C210-Y230 PolarHBondContact SG-O 2.85Å
211K98.1Very high96.4Very high59 Ų5934.1 Ų34.126%0.25716%0.162SC..  trans-118.1150.8178.6-68.3173.2-173.8176.60110.8H187 G206 G207 D209 S225 I232H187-K211 PolarHBondContact CE1-O 2.8Å; H187-K211 VanDerWaalsContact CE1-O 3.24Å; G206-K211 WeakPolarHBondContact CA-O 3.38Å; G207-K211 PolarHBondContact N-O 3.31Å; D209-K211 PolarHBondContact O-N 3.1Å; D209-K211 VanDerWaalsContact O-N 3.12Å; D209-K211 PolarHBondContact OD1-N 3.48Å; K211-S225 WeakPolarHBondContact CA-OG 3.28Å; K211-I232 WeakPolarHBondContact O-CG1 3.13Å
212Y98.2Very high96.4Very high3 Ų335.7 Ų35.71%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-110.1150.815968.4-91.8000109.4S205 S225 F244 V246 C255 G259S205-Y212 CarbonylContact O-C 3.53Å; S205-Y212 WeakPolarHBondContact O-CA 3.38Å; Y212-S225 VanDerWaalsContact CD1-CB 3.45Å; Y212-S225 WeakPolarHBondContact CD1-OG 3.46Å; Y212-S225 PolarHBondContact N-OG 3.01Å; Y212-S225 WeakPolarHBondContact O-CB 3.26Å; Y212-S225 PolarHBondContact O-N 2.94Å; Y212-S225 PolarHBondContact O-OG 2.86Å; Y212-F244 AromaticContact CD2-CE2 3.87Å; Y212-F244 HydrophobicContact CD2-CE2 3.87Å; Y212-F244 AromaticContact CD2-CZ 4Å; Y212-F244 HydrophobicContact CD2-CZ 4Å; Y212-F244 AromaticContact CE2-CE2 3.92Å; Y212-F244 HydrophobicContact CE2-CE2 3.92Å; Y212-F244 AromaticContact CE2-CZ 3.79Å; Y212-F244 HydrophobicContact CE2-CZ 3.79Å; Y212-V246 HydrophobicContact CD1-CB 4.42Å; Y212-V246 HydrophobicContact CD1-CG1 3.92Å; Y212-V246 HydrophobicContact CD1-CG2 3.92Å; Y212-V246 HydrophobicContact CD2-CG2 4.25Å; Y212-V246 HydrophobicContact CE1-CG2 4.19Å; Y212-V246 HydrophobicContact CG-CG1 4.31Å; Y212-V246 HydrophobicContact CG-CG2 3.94Å; Y212-C255 PolarHBondContact OH-SG 2.87Å; Y212-G259 WeakPolarHBondContact CE2-O 3.1Å; Y212-G259 PolarHBondContact OH-O 3.35Å
213K98.3Very high96.3Very high22 Ų2236.5 Ų36.510%0.09617%0.172CC..EExtended strand (participates in β ladder)trans-137.8147.9-177.4-65.7179.9179.9-178.70110.8A186 L204 S205 W215 L221 H223 S224A186-K213 VanDerWaalsContact O-CD 3.28Å; A186-K213 WeakPolarHBondContact O-CD 3.41Å; A186-K213 WeakPolarHBondContact O-CE 3.35Å; A186-K213 PolarHBondContact O-NZ 2.73Å; L204-K213 WeakPolarHBondContact CA-O 3.48Å; S205-K213 PolarHBondContact N-O 2.79Å; S205-K213 PolarHBondContact O-N 2.85Å; K213-W215 HydrophobicContact CB-CZ2 3.65Å; K213-W215 HydrophobicContact CD-CH2 3.88Å; K213-W215 HydrophobicContact CD-CZ2 3.37Å; K213-W215 HydrophobicContact CG-CZ2 4.14Å; K213-L221 HydrophobicContact CB-CD1 3.92Å; K213-L221 HydrophobicContact CD-CD1 3.98Å; K213-L221 HydrophobicContact CG-CD1 4.11Å; K213-H223 CarbonylContact C-O 3.56Å; K213-H223 VanDerWaalsContact CA-O 3.23Å; K213-H223 WeakPolarHBondContact CA-O 3.41Å; K213-S224 WeakPolarHBondContact CE-OG 3.38Å
214V97.9Very high96.2Very high1 Ų138.7 Ų38.71%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-112.8134.5175.1-168.90000108.5L202 I203 L204 L222 H223 F244L202-V214 HydrophobicContact CB-CG1 4.4Å; L202-V214 HydrophobicContact CD1-CG1 4.29Å; I203-V214 CarbonylContact O-C 3.53Å; I203-V214 WeakPolarHBondContact O-CA 3.4Å; L204-V214 HydrophobicContact CD2-CB 4.38Å; L204-V214 HydrophobicContact CD2-CG1 4.38Å; L204-V214 HydrophobicContact CD2-CG2 3.75Å; V214-L222 PolarHBondContact O-N 3.49Å; V214-H223 HydrophobicContact CB-CB 4.03Å; V214-H223 HydrophobicContact CG2-CB 3.97Å; V214-H223 PolarHBondContact N-O 2.92Å; V214-H223 PolarHBondContact O-N 3.25Å; V214-F244 HydrophobicContact CG2-CE1 4.03Å; V214-F244 HydrophobicContact CG2-CZ 3.95Å
215W97.7Very high96.1Very high11 Ų1139 Ų394%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-133.2156.9-176.2-41.580.6000111.1W184 A186 I203 S205 K213 R220 L221W184-W215 AromaticContact CD1-CE3 3.79Å; W184-W215 AromaticContact CD1-CH2 3.83Å; W184-W215 AromaticContact CD1-CZ3 3.47Å; W184-W215 VanDerWaalsContact CD1-CZ3 3.47Å; W184-W215 HydrophobicContact CZ2-CB 4.44Å; W184-W215 HydrophobicContact CZ2-CD2 4.46Å; W184-W215 HydrophobicContact CZ2-CG 4.33Å; W184-W215 AromaticContact NE1-CD2 3.48Å; W184-W215 AromaticContact NE1-CE2 3.79Å; W184-W215 AromaticContact NE1-CE3 3.23Å; W184-W215 AromaticContact NE1-CH2 3.71Å; W184-W215 AromaticContact NE1-CZ2 3.89Å; W184-W215 AromaticContact NE1-CZ3 3.36Å; A186-W215 HydrophobicContact CB-CH2 4.15Å; A186-W215 HydrophobicContact CB-CZ2 3.68Å; A186-W215 WeakPolarHBondContact O-CZ2 3.48Å; I203-W215 HydrophobicContact CB-CB 4.19Å; I203-W215 PolarHBondContact N-O 3Å; I203-W215 PolarHBondContact O-N 3.04Å; S205-W215 PolarHBondContact OG-NE1 3.38Å; K213-W215 HydrophobicContact CB-CZ2 3.65Å; K213-W215 HydrophobicContact CD-CH2 3.88Å; K213-W215 HydrophobicContact CD-CZ2 3.37Å; K213-W215 HydrophobicContact CG-CZ2 4.14Å; W215-R220 VanDerWaalsContact CA-O 3.25Å; W215-R220 WeakPolarHBondContact CA-O 3.49Å; W215-L221 HydrophobicContact CD2-CD1 4.1Å; W215-L221 HydrophobicContact CE3-CB 3.86Å; W215-L221 HydrophobicContact CE3-CD1 3.92Å; W215-L221 HydrophobicContact CH2-CB 4.38Å; W215-L221 HydrophobicContact CH2-CD1 3.78Å; W215-L221 HydrophobicContact CZ2-CD1 3.98Å; W215-L221 HydrophobicContact CZ3-CB 3.63Å; W215-L221 HydrophobicContact CZ3-CD1 3.76Å; W215-L221 HydrophobicContact CZ3-CG 4.24Å
216D93.6Very high95.9Very high32 Ų3244 Ų4417%0.17122%0.221CC..  trans-81.2171.3161.27114.5000111.4F218 G219 R220 L222D216-F218 PolarHBondContact O-N 3.25Å; D216-F218 VanDerWaalsContact O-N 3.12Å; D216-F218 WeakPolarHBondContact OD1-CA 3.44Å; D216-F218 WeakPolarHBondContact OD1-CB 3.1Å; D216-F218 PolarHBondContact OD1-N 3.47Å; D216-G219 PolarHBondContact O-N 3.09Å; D216-G219 VanDerWaalsContact O-N 3.1Å; D216-G219 PolarHBondContact OD1-N 3.13Å; D216-R220 VanDerWaalsContact CG-CB 3.47Å; D216-R220 PolarHBondContact N-O 3.24Å; D216-R220 VanDerWaalsContact N-O 3.14Å; D216-R220 WeakPolarHBondContact OD1-CB 3.32Å; D216-R220 PolarHBondContact OD1-N 3.45Å; D216-R220 WeakPolarHBondContact OD2-CB 3.49Å; D216-L222 HydrophobicContact CB-CD1 4.36Å
217S92Very high95.7Very high6 Ų647.7 Ų47.74%0.04225%0.246CC..THydrogen-bonded Turntrans-68.8-2.917856.90000114.7I172 D201I172-S217 WeakPolarHBondContact CD1-O 3.31Å; D201-S217 WeakPolarHBondContact OD2-CB 3.16Å; D201-S217 PolarHBondContact OD2-OG 3.49Å
218F92.7Very high95.5Very high111 Ų11148.7 Ų48.749%0.48725%0.251SS..THydrogen-bonded Turntrans-100.6-3.2173.9-55.6-75.5000112.8D216D216-F218 PolarHBondContact O-N 3.25Å; D216-F218 VanDerWaalsContact O-N 3.12Å; D216-F218 WeakPolarHBondContact OD1-CA 3.44Å; D216-F218 WeakPolarHBondContact OD1-CB 3.1Å; D216-F218 PolarHBondContact OD1-N 3.47Å
219G93.7Very high95.3Very high13 Ų1350.6 Ų50.613%0.13426%0.264CS..  trans84.814.7-179.400000114.4D216D216-G219 PolarHBondContact O-N 3.09Å; D216-G219 VanDerWaalsContact O-N 3.1Å; D216-G219 PolarHBondContact OD1-N 3.13Å
220R94.3Very high95.3Very high164 Ų16454.8 Ų54.862%0.61928%0.279SS*.  trans-73.6132170.6-171.5-176.1172.2178.7-2.4109.2W215 D216 L222W215-R220 VanDerWaalsContact CA-O 3.25Å; W215-R220 WeakPolarHBondContact CA-O 3.49Å; D216-R220 VanDerWaalsContact CG-CB 3.47Å; D216-R220 PolarHBondContact N-O 3.24Å; D216-R220 VanDerWaalsContact N-O 3.14Å; D216-R220 WeakPolarHBondContact OD1-CB 3.32Å; D216-R220 PolarHBondContact OD1-N 3.45Å; D216-R220 WeakPolarHBondContact OD2-CB 3.49Å; R220-L222 PolarHBondContact O-N 3.03Å
221L95.8Very high95.3Very high78 Ų7856.1 Ų56.141%0.40829%0.287SS..EExtended strand (participates in β ladder)trans-72.6119.8173.9-17763.4000109.9K213 W215 H223K213-L221 HydrophobicContact CB-CD1 3.92Å; K213-L221 HydrophobicContact CD-CD1 3.98Å; K213-L221 HydrophobicContact CG-CD1 4.11Å; W215-L221 HydrophobicContact CD2-CD1 4.1Å; W215-L221 HydrophobicContact CE3-CB 3.86Å; W215-L221 HydrophobicContact CE3-CD1 3.92Å; W215-L221 HydrophobicContact CH2-CB 4.38Å; W215-L221 HydrophobicContact CH2-CD1 3.78Å; W215-L221 HydrophobicContact CZ2-CD1 3.98Å; W215-L221 HydrophobicContact CZ3-CB 3.63Å; W215-L221 HydrophobicContact CZ3-CD1 3.76Å; W215-L221 HydrophobicContact CZ3-CG 4.24Å; L221-H223 WeakPolarHBondContact CD1-O 3.37Å
222L92.3Very high95.3Very high86 Ų8653.3 Ų53.345%0.4528%0.275SS..EExtended strand (participates in β ladder)trans-95.8-40.2174.1-58.8179000111.2L202 V214 D216 R220L202-L222 HydrophobicContact CD2-CD1 3.52Å; V214-L222 PolarHBondContact O-N 3.49Å; D216-L222 HydrophobicContact CB-CD1 4.36Å; R220-L222 PolarHBondContact O-N 3.03Å
223H94.3Very high95.2Very high44 Ų4454.3 Ų54.320%0.20428%0.282CS..EExtended strand (participates in β ladder)trans-147.2143.2179.4-177.588.7000111.7K213 V214 L221 T258 G259K213-H223 CarbonylContact C-O 3.56Å; K213-H223 VanDerWaalsContact CA-O 3.23Å; K213-H223 WeakPolarHBondContact CA-O 3.41Å; V214-H223 HydrophobicContact CB-CB 4.03Å; V214-H223 HydrophobicContact CG2-CB 3.97Å; V214-H223 PolarHBondContact N-O 2.92Å; V214-H223 PolarHBondContact O-N 3.25Å; L221-H223 WeakPolarHBondContact CD1-O 3.37Å; H223-T258 VanDerWaalsContact CB-O 3.31Å; H223-T258 WeakPolarHBondContact CB-O 3.41Å; H223-G259 PolarHBondContact NE2-O 3.28Å
224S95.4Very high95.2Very high47 Ų4753.3 Ų53.333%0.32928%0.277SS..EExtended strand (participates in β ladder)trans-130127.4168179.20000109.8K213K213-S224 WeakPolarHBondContact CE-OG 3.38Å
225S95.9Very high95.1Very high6 Ų653.5 Ų53.54%0.04228%0.279CS..PPolyproline II helixtrans-66.4160.5175.1810000111.5K211 Y212K211-S225 WeakPolarHBondContact CA-OG 3.28Å; Y212-S225 VanDerWaalsContact CD1-CB 3.45Å; Y212-S225 WeakPolarHBondContact CD1-OG 3.46Å; Y212-S225 PolarHBondContact N-OG 3.01Å; Y212-S225 WeakPolarHBondContact O-CB 3.26Å; Y212-S225 PolarHBondContact O-N 2.94Å; Y212-S225 PolarHBondContact O-OG 2.86Å
226T94.1Very high95.1Very high106 Ų10653.8 Ų53.865%0.6528%0.282SS*.PPolyproline II helixtrans-62.2154.6159.153.10000109.9Q228T226-Q228 PolarHBondContact O-N 3.43Å
227S94.1Very high95.3Very high76 Ų7652.8 Ų52.853%0.53128%0.276SS..PPolyproline II helixtrans-63.2127.5174.6-169.30000109.2
228Q93.1Very high95.4Very high21 Ų2152.5 Ų52.510%0.09827%0.274CS..PPolyproline II helixtrans-85.7173.2170.3-57.4-169.129.100110.2C210 T226 Y230 I232C210-Q228 HydrophobicContact CB-CB 4.42Å; C210-Q228 WeakPolarHBondContact CB-O 3.44Å; C210-Q228 WeakPolarHBondContact O-CB 3.14Å; C210-Q228 PolarHBondContact O-N 3.41Å; T226-Q228 PolarHBondContact O-N 3.43Å; Q228-Y230 VanDerWaalsContact C-N 3.26Å; Q228-Y230 PolarHBondContact O-N 3.25Å; Q228-I232 HydrophobicContact CB-CD1 4.45Å; Q228-I232 HydrophobicContact CG-CD1 4.22Å
229D94.3Very high95.3Very high134 Ų13450 Ų5072%0.71727%0.268SS*.SBendtrans-69.8-25.6-179.4-59.2-32.2000112.4
230Y97Very high95Very high111 Ų11151.2 Ų51.244%0.43527%0.272SS..SBendtrans-138158.7-173.5-61.8-83.7000112.5C210 Q228 F249C210-Y230 WeakPolarHBondContact CB-O 3.33Å; C210-Y230 PolarHBondContact SG-O 2.85Å; Q228-Y230 VanDerWaalsContact C-N 3.26Å; Q228-Y230 PolarHBondContact O-N 3.25Å; Y230-F249 HydrophobicContact CD1-CB 3.93Å; Y230-F249 HydrophobicContact CD1-CD1 4.16Å; Y230-F249 HydrophobicContact CD1-CG 4.21Å; Y230-F249 HydrophobicContact CD2-CB 3.77Å; Y230-F249 AromaticContact CD2-CD1 3.9Å; Y230-F249 HydrophobicContact CD2-CD1 3.9Å; Y230-F249 HydrophobicContact CD2-CG 4.28Å; Y230-F249 AromaticContact CE1-CD1 3.91Å; Y230-F249 HydrophobicContact CE1-CD1 3.91Å; Y230-F249 HydrophobicContact CE1-CE1 4.46Å; Y230-F249 HydrophobicContact CE1-CG 4.37Å; Y230-F249 HydrophobicContact CE2-CB 4.42Å; Y230-F249 AromaticContact CE2-CD1 3.67Å; Y230-F249 HydrophobicContact CE2-CD1 3.67Å; Y230-F249 HydrophobicContact CE2-CE1 4.46Å; Y230-F249 HydrophobicContact CE2-CG 4.46Å; Y230-F249 HydrophobicContact CG-CB 3.51Å; Y230-F249 HydrophobicContact CG-CD1 4.16Å; Y230-F249 HydrophobicContact CG-CG 4.17Å; Y230-F249 AromaticContact CZ-CD1 3.67Å
231P97.8Very high94.9Very high47 Ų4743.5 Ų43.531%0.30524%0.243SC..  trans-53.2144.1175.2-31.238.6000113.5L192 T233 S248L192-P231 HydrophobicContact CD1-CB 4.08Å; P231-T233 PolarHBondContact O-N 3.13Å; P231-S248 WeakPolarHBondContact O-CB 3.3Å
232I98.2Very high94.7Very high0 Ų042.7 Ų42.70%024%0.237CC..  trans-82.2105.4174-53.8-52.2000108.8G207 K211 Q228 L235 V246G207-I232 PolarHBondContact O-N 3.39Å; K211-I232 WeakPolarHBondContact O-CG1 3.13Å; Q228-I232 HydrophobicContact CB-CD1 4.45Å; Q228-I232 HydrophobicContact CG-CD1 4.22Å; I232-L235 HydrophobicContact CG2-CD1 4.17Å; I232-L235 HydrophobicContact CG2-CD2 3.99Å; I232-L235 HydrophobicContact CG2-CG 3.86Å; I232-V246 HydrophobicContact CD1-CG1 3.98Å; I232-V246 HydrophobicContact CG1-CG1 4.46Å; I232-V246 HydrophobicContact CG2-CG1 3.58Å
233T97.1Very high94.8Very high25 Ų2539.2 Ų39.215%0.15322%0.22CC..  trans-93.7-22.1-174.448.90000113.2L192 P231 G247 V272L192-T233 HydrophobicContact CD1-CG2 4.39Å; P231-T233 PolarHBondContact O-N 3.13Å; T233-G247 PolarHBondContact N-O 2.86Å; T233-V272 WeakPolarHBondContact CB-O 3.1Å; T233-V272 PolarHBondContact OG1-O 3.43Å
234S96.9Very high95Very high0 Ų037.1 Ų37.10%021%0.21CC..EExtended strand (participates in β ladder)trans-146145.2179.255.60000113.1G247 V272S234-G247 PolarHBondContact N-O 3.11Å; S234-G247 PolarHBondContact O-N 3.28Å; S234-G247 WeakPolarHBondContact OG-CA 3.45Å; S234-V272 VanDerWaalsContact CB-O 3.26Å; S234-V272 WeakPolarHBondContact CB-O 3.34Å; S234-V272 WeakPolarHBondContact OG-CG1 3.36Å; S234-V272 PolarHBondContact OG-O 3.39Å
235L97.7Very high95.1Very high6 Ų634.9 Ų34.93%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-146.9143.1179-70.5165.5000107.8K193 L204 G206 I232 A245 V246K193-L235 HydrophobicContact CB-CB 4.49Å; K193-L235 HydrophobicContact CB-CD1 4.47Å; K193-L235 HydrophobicContact CG-CB 4.48Å; L204-L235 HydrophobicContact CB-CD1 4.45Å; G206-L235 VanDerWaalsContact CA-CD1 3.48Å; I232-L235 HydrophobicContact CG2-CD1 4.17Å; I232-L235 HydrophobicContact CG2-CD2 3.99Å; I232-L235 HydrophobicContact CG2-CG 3.86Å; L235-A245 WeakPolarHBondContact CA-O 3.26Å; L235-V246 HydrophobicContact CD2-CB 3.86Å; L235-V246 HydrophobicContact CD2-CG1 3.64Å; L235-V246 HydrophobicContact CD2-CG2 3.53Å
236S97.5Very high95.2Very high17 Ų1734.6 Ų34.612%0.11919%0.193CC..EExtended strand (participates in β ladder)trans-157.5133170.4-175.60000111.7D195 F244 A245 W277D195-S236 WeakPolarHBondContact OD2-CA 3.38Å; S236-F244 WeakPolarHBondContact O-CA 3.33Å; S236-F244 WeakPolarHBondContact O-CB 3.29Å; S236-A245 PolarHBondContact N-O 2.82Å; S236-A245 VanDerWaalsContact N-O 3.11Å; S236-A245 PolarHBondContact O-N 2.89Å; S236-W277 PolarHBondContact O-NE1 2.85Å
237W97.4Very high95.4Very high11 Ų1129.6 Ų29.64%0.04216%0.162CC..EExtended strand (participates in β ladder)trans-70.1139.8169.3-80.4113.7000111.5D195 N197 L202 L204 F244 K257 W277D195-W237 PolarHBondContact OD2-N 2.82Å; N197-W237 HydrophobicContact CB-CB 4.23Å; N197-W237 HydrophobicContact CB-CD2 3.8Å; N197-W237 HydrophobicContact CB-CE3 4.45Å; N197-W237 HydrophobicContact CB-CG 3.67Å; L202-W237 HydrophobicContact CB-CH2 4.13Å; L202-W237 HydrophobicContact CB-CZ2 3.62Å; L202-W237 HydrophobicContact CD1-CH2 4.11Å; L202-W237 HydrophobicContact CD1-CZ2 4.42Å; L202-W237 PolarHBondContact O-NE1 3.41Å; L204-W237 HydrophobicContact CD1-CD2 3.66Å; L204-W237 HydrophobicContact CD1-CE3 4.42Å; L204-W237 HydrophobicContact CD1-CG 3.79Å; L204-W237 HydrophobicContact CD1-CZ2 3.91Å; L204-W237 HydrophobicContact CD2-CH2 4.38Å; L204-W237 HydrophobicContact CD2-CZ2 3.74Å; L204-W237 HydrophobicContact CG-CD2 4.2Å; L204-W237 HydrophobicContact CG-CG 4.5Å; L204-W237 HydrophobicContact CG-CZ2 3.58Å; L204-W237 VanDerWaalsContact CG-NE1 3.32Å; W237-F244 HydrophobicContact CD2-CB 4.09Å; W237-F244 HydrophobicContact CE3-CB 3.76Å; W237-F244 HydrophobicContact CE3-CD1 4.11Å; W237-F244 HydrophobicContact CE3-CG 4.39Å; W237-F244 AromaticContact CH2-CD1 3.75Å; W237-F244 HydrophobicContact CH2-CD1 3.75Å; W237-F244 HydrophobicContact CH2-CE1 4.24Å; W237-F244 HydrophobicContact CZ2-CD1 4.37Å; W237-F244 HydrophobicContact CZ3-CB 4.17Å; W237-F244 AromaticContact CZ3-CD1 3.62Å; W237-F244 HydrophobicContact CZ3-CD1 3.62Å; W237-F244 HydrophobicContact CZ3-CE1 4.49Å; W237-F244 HydrophobicContact CZ3-CG 4.35Å; W237-K257 HydrophobicContact CH2-CB 3.94Å; W237-K257 HydrophobicContact CZ3-CB 3.78Å; W237-W277 VanDerWaalsContact C-CD1 3.43Å
238A94.6Very high95.5Very high0 Ų026 Ų260%014%0.137CC..  trans-66.7148.6161.100000109.5N197 D240 G241 V243 W277N197-A238 PolarHBondContact ND2-O 3.02Å; A238-D240 PolarHBondContact O-N 3.37Å; A238-G241 PolarHBondContact O-N 2.84Å; A238-V243 HydrophobicContact CB-CG2 3.67Å; A238-V243 VanDerWaalsContact CB-O 3.26Å; A238-V243 WeakPolarHBondContact CB-O 3.26Å; A238-V243 PolarHBondContact N-O 3.5Å; A238-W277 HydrophobicContact CB-CD2 3.87Å; A238-W277 HydrophobicContact CB-CE3 4.06Å; A238-W277 HydrophobicContact CB-CG 4.27Å; A238-W277 HydrophobicContact CB-CH2 4.46Å; A238-W277 HydrophobicContact CB-CZ2 4.27Å; A238-W277 HydrophobicContact CB-CZ3 4.36Å
239P89.9Confident95.6Very high57 Ų5728.3 Ų28.337%0.3715%0.146SC..THydrogen-bonded Turntrans-59.1-30.6-176.4-26.735.6000114.3V199 G241 W277 S278V199-P239 VanDerWaalsContact CG2-O 3.28Å; V199-P239 WeakPolarHBondContact CG2-O 3.4Å; P239-G241 VanDerWaalsContact C-N 3.27Å; P239-G241 PolarHBondContact O-N 3.12Å; P239-W277 HydrophobicContact CG-CB 4.49Å; P239-S278 WeakPolarHBondContact CG-O 3.49Å
240D87.2Confident95.7Very high40 Ų4023.6 Ų23.621%0.21412%0.122CC..THydrogen-bonded Turntrans-77-11.4178.971.9-9.1000113.8A238 E242 K339A238-D240 PolarHBondContact O-N 3.37Å; D240-E242 PolarHBondContact O-N 3.38Å; D240-E242 PolarHBondContact OD1-N 2.67Å; D240-E242 VanDerWaalsContact OD1-N 3.09Å; D240-K339 IonicContact OD2-NZ 2.87Å; D240-K339 PolarHBondContact OD2-NZ 3.34Å
241G91.9Very high95.6Very high1 Ų119 Ų191%0.0111%0.105CC..SBendtrans71.112.4179.600000115N197 N200 A238 P239 K257N197-G241 VanDerWaalsContact ND2-CA 3.26Å; N197-G241 WeakPolarHBondContact ND2-CA 3.49Å; N200-G241 PolarHBondContact ND2-O 3.31Å; A238-G241 PolarHBondContact O-N 2.84Å; P239-G241 VanDerWaalsContact C-N 3.27Å; P239-G241 PolarHBondContact O-N 3.12Å; G241-K257 WeakPolarHBondContact O-CB 3.4Å
242E91.3Very high95.5Very high61 Ų6116.9 Ų16.929%0.2859%0.091SC..SBendtrans-87.9-30.6178.1-67.8-59137.100112.4D240 K257D240-E242 PolarHBondContact O-N 3.38Å; D240-E242 PolarHBondContact OD1-N 2.67Å; D240-E242 VanDerWaalsContact OD1-N 3.09Å; E242-K257 PolarHBondContact O-N 2.84Å; E242-K257 IonicContact OE1-NZ 2.65Å; E242-K257 PolarHBondContact OE1-NZ 2.72Å; E242-K257 WeakPolarHBondContact OE2-CE 3.48Å; E242-K257 IonicContact OE2-NZ 2.84Å; E242-K257 PolarHBondContact OE2-NZ 2.97Å
243V95.7Very high95.4Very high13 Ų1318.4 Ų18.48%0.07910%0.097CC..EExtended strand (participates in β ladder)trans-136161.5-179.9-60.70000112A238 L254 C255 Y262 W277A238-V243 HydrophobicContact CB-CG2 3.67Å; A238-V243 VanDerWaalsContact CB-O 3.26Å; A238-V243 WeakPolarHBondContact CB-O 3.26Å; A238-V243 PolarHBondContact N-O 3.5Å; V243-L254 HydrophobicContact CB-CD1 4.03Å; V243-L254 HydrophobicContact CG2-CD1 4.16Å; V243-C255 CarbonylContact C-O 3.59Å; V243-C255 VanDerWaalsContact CA-O 3.25Å; V243-C255 WeakPolarHBondContact CA-O 3.49Å; V243-C255 WeakPolarHBondContact CB-O 3.25Å; V243-Y262 HydrophobicContact CG1-CE2 4.04Å; V243-W277 HydrophobicContact CG2-CH2 3.86Å; V243-W277 HydrophobicContact CG2-CZ2 4.22Å; V243-W277 HydrophobicContact CG2-CZ3 4.44Å
244F97.8Very high95.5Very high0 Ų017.2 Ų17.20%09%0.089CC..EExtended strand (participates in β ladder)trans-141.9161.8169.765.3-93.9000111.7L204 Y212 V214 S236 W237 V246 C255 D256L204-F244 HydrophobicContact CD1-CB 3.51Å; L204-F244 HydrophobicContact CD1-CD1 4.03Å; L204-F244 HydrophobicContact CD1-CD2 3.64Å; L204-F244 HydrophobicContact CD1-CE2 4.29Å; L204-F244 HydrophobicContact CD1-CG 3.48Å; L204-F244 VanDerWaalsContact CD1-CG 3.48Å; L204-F244 HydrophobicContact CD2-CD1 3.94Å; L204-F244 HydrophobicContact CD2-CD2 4.02Å; L204-F244 HydrophobicContact CD2-CE1 3.72Å; L204-F244 HydrophobicContact CD2-CE2 3.83Å; L204-F244 HydrophobicContact CD2-CG 4.07Å; L204-F244 HydrophobicContact CD2-CZ 3.67Å; L204-F244 HydrophobicContact CG-CD2 4.49Å; L204-F244 HydrophobicContact CG-CG 4.42Å; Y212-F244 AromaticContact CD2-CE2 3.87Å; Y212-F244 HydrophobicContact CD2-CE2 3.87Å; Y212-F244 AromaticContact CD2-CZ 4Å; Y212-F244 HydrophobicContact CD2-CZ 4Å; Y212-F244 AromaticContact CE2-CE2 3.92Å; Y212-F244 HydrophobicContact CE2-CE2 3.92Å; Y212-F244 AromaticContact CE2-CZ 3.79Å; Y212-F244 HydrophobicContact CE2-CZ 3.79Å; V214-F244 HydrophobicContact CG2-CE1 4.03Å; V214-F244 HydrophobicContact CG2-CZ 3.95Å; S236-F244 WeakPolarHBondContact O-CA 3.33Å; S236-F244 WeakPolarHBondContact O-CB 3.29Å; W237-F244 HydrophobicContact CD2-CB 4.09Å; W237-F244 HydrophobicContact CE3-CB 3.76Å; W237-F244 HydrophobicContact CE3-CD1 4.11Å; W237-F244 HydrophobicContact CE3-CG 4.39Å; W237-F244 AromaticContact CH2-CD1 3.75Å; W237-F244 HydrophobicContact CH2-CD1 3.75Å; W237-F244 HydrophobicContact CH2-CE1 4.24Å; W237-F244 HydrophobicContact CZ2-CD1 4.37Å; W237-F244 HydrophobicContact CZ3-CB 4.17Å; W237-F244 AromaticContact CZ3-CD1 3.62Å; W237-F244 HydrophobicContact CZ3-CD1 3.62Å; W237-F244 HydrophobicContact CZ3-CE1 4.49Å; W237-F244 HydrophobicContact CZ3-CG 4.35Å; F244-V246 HydrophobicContact CD2-CG2 3.79Å; F244-V246 HydrophobicContact CE2-CG2 3.52Å; F244-C255 HydrophobicContact CD1-CB 4.04Å; F244-C255 HydrophobicContact CD2-CB 3.84Å; F244-C255 HydrophobicContact CE1-CB 3.66Å; F244-C255 HydrophobicContact CE2-CB 3.41Å; F244-C255 VanDerWaalsContact CE2-CB 3.41Å; F244-C255 HydrophobicContact CG-CB 4.14Å; F244-C255 HydrophobicContact CZ-CB 3.31Å; F244-C255 PolarHBondContact N-O 3.14Å; F244-C255 PolarHBondContact O-N 2.95Å; F244-D256 WeakPolarHBondContact CD1-O 3.36Å; F244-D256 WeakPolarHBondContact CE1-O 3.48Å
245A98Very high95.4Very high0 Ų017.2 Ų17.20%09%0.089CC..EExtended strand (participates in β ladder)trans-112.5145.4177.400000111.5L235 S236 R253 L275 W277 L284L235-A245 WeakPolarHBondContact CA-O 3.26Å; S236-A245 PolarHBondContact N-O 2.82Å; S236-A245 VanDerWaalsContact N-O 3.11Å; S236-A245 PolarHBondContact O-N 2.89Å; A245-R253 CarbonylContact C-O 3.56Å; A245-R253 VanDerWaalsContact CA-O 3.31Å; A245-R253 WeakPolarHBondContact CA-O 3.2Å; A245-L275 HydrophobicContact CB-CD1 3.95Å; A245-W277 HydrophobicContact CB-CZ2 3.79Å; A245-L284 HydrophobicContact CB-CD1 4.01Å; A245-L284 HydrophobicContact CB-CD2 3.39Å; A245-L284 HydrophobicContact CB-CG 4.36Å
246V98.1Very high95.3Very high1 Ų117.6 Ų17.61%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-125.2124.9176.8-1730000109Y212 I232 L235 F244 L252 R253Y212-V246 HydrophobicContact CD1-CB 4.42Å; Y212-V246 HydrophobicContact CD1-CG1 3.92Å; Y212-V246 HydrophobicContact CD1-CG2 3.92Å; Y212-V246 HydrophobicContact CD2-CG2 4.25Å; Y212-V246 HydrophobicContact CE1-CG2 4.19Å; Y212-V246 HydrophobicContact CG-CG1 4.31Å; Y212-V246 HydrophobicContact CG-CG2 3.94Å; I232-V246 HydrophobicContact CD1-CG1 3.98Å; I232-V246 HydrophobicContact CG1-CG1 4.46Å; I232-V246 HydrophobicContact CG2-CG1 3.58Å; L235-V246 HydrophobicContact CD2-CB 3.86Å; L235-V246 HydrophobicContact CD2-CG1 3.64Å; L235-V246 HydrophobicContact CD2-CG2 3.53Å; F244-V246 HydrophobicContact CD2-CG2 3.79Å; F244-V246 HydrophobicContact CE2-CG2 3.52Å; V246-L252 WeakPolarHBondContact O-CA 3.44Å; V246-R253 HydrophobicContact CB-CB 4.22Å; V246-R253 PolarHBondContact N-O 3.23Å; V246-R253 PolarHBondContact O-N 3.47Å
247G97Very high95.1Very high0 Ų018.7 Ų18.70%09%0.094CC..EExtended strand (participates in β ladder)trans-112.8134.1175.900000111.2T233 S234T233-G247 PolarHBondContact N-O 2.86Å; S234-G247 PolarHBondContact N-O 3.11Å; S234-G247 PolarHBondContact O-N 3.28Å; S234-G247 WeakPolarHBondContact OG-CA 3.45Å
248S96.6Very high94.8Very high1 Ų121.2 Ų21.21%0.00711%0.111CC..EExtended strand (participates in β ladder)trans-135.1-165.2169.385.80000109.6P231 N250 T251 V272P231-S248 WeakPolarHBondContact O-CB 3.3Å; S248-N250 PolarHBondContact O-N 3.19Å; S248-T251 PolarHBondContact N-O 3.12Å; S248-T251 VanDerWaalsContact N-O 3.07Å; S248-T251 PolarHBondContact O-N 3.18Å; S248-T251 PolarHBondContact OG-OG1 3.49Å; S248-V272 PolarHBondContact O-N 2.96Å
249F96.5Very high94.7Very high69 Ų6921.2 Ų21.230%0.30311%0.111SC..BIsolated β-bridgetrans-64.4116175.3-173.5-100.6000111.4Y230 T251Y230-F249 HydrophobicContact CD1-CB 3.93Å; Y230-F249 HydrophobicContact CD1-CD1 4.16Å; Y230-F249 HydrophobicContact CD1-CG 4.21Å; Y230-F249 HydrophobicContact CD2-CB 3.77Å; Y230-F249 AromaticContact CD2-CD1 3.9Å; Y230-F249 HydrophobicContact CD2-CD1 3.9Å; Y230-F249 HydrophobicContact CD2-CG 4.28Å; Y230-F249 AromaticContact CE1-CD1 3.91Å; Y230-F249 HydrophobicContact CE1-CD1 3.91Å; Y230-F249 HydrophobicContact CE1-CE1 4.46Å; Y230-F249 HydrophobicContact CE1-CG 4.37Å; Y230-F249 HydrophobicContact CE2-CB 4.42Å; Y230-F249 AromaticContact CE2-CD1 3.67Å; Y230-F249 HydrophobicContact CE2-CD1 3.67Å; Y230-F249 HydrophobicContact CE2-CE1 4.46Å; Y230-F249 HydrophobicContact CE2-CG 4.46Å; Y230-F249 HydrophobicContact CG-CB 3.51Å; Y230-F249 HydrophobicContact CG-CD1 4.16Å; Y230-F249 HydrophobicContact CG-CG 4.17Å; Y230-F249 AromaticContact CZ-CD1 3.67Å; F249-T251 PolarHBondContact O-N 2.92Å; F249-T251 VanDerWaalsContact O-N 3.08Å
250N94.9Very high94.8Very high36 Ų3619.7 Ų19.719%0.19310%0.098CC..THydrogen-bonded Turntrans5815.9-179.2-70.9-26.8000115S248 K266 P267 N268 T269 G270S248-N250 PolarHBondContact O-N 3.19Å; N250-K266 VanDerWaalsContact O-CA 3.22Å; N250-K266 WeakPolarHBondContact O-CA 3.49Å; N250-P267 WeakPolarHBondContact O-CD 3.47Å; N250-N268 VanDerWaalsContact OD1-C 3.27Å; N250-N268 WeakPolarHBondContact OD1-CA 3.42Å; N250-T269 PolarHBondContact OD1-N 3.19Å; N250-G270 PolarHBondContact N-O 3.15Å; N250-G270 WeakPolarHBondContact OD1-CA 3.4Å; N250-G270 PolarHBondContact OD1-N 3.2Å
251T95.4Very high95.1Very high14 Ų1420.1 Ų20.19%0.08610%0.104CC..EExtended strand (participates in β ladder)trans-130.3143.1178.4800000112.4S248 F249 L264 E265 K266S248-T251 PolarHBondContact N-O 3.12Å; S248-T251 VanDerWaalsContact N-O 3.07Å; S248-T251 PolarHBondContact O-N 3.18Å; S248-T251 PolarHBondContact OG-OG1 3.49Å; F249-T251 PolarHBondContact O-N 2.92Å; F249-T251 VanDerWaalsContact O-N 3.08Å; T251-L264 HydrophobicContact CG2-CD1 4.43Å; T251-E265 WeakPolarHBondContact CA-O 3.31Å; T251-K266 HydrophobicContact CG2-CG 4.48Å
252L96.4Very high95.1Very high2 Ų222.4 Ų22.41%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-133.1121170.7-175.463.7000108.4L3 T5 V246 E265 L275 L284 I294 A296L3-L252 HydrophobicContact CD1-CD2 3.97Å; L3-L252 HydrophobicContact CD1-CG 3.92Å; T5-L252 HydrophobicContact CG2-CD2 4.35Å; V246-L252 WeakPolarHBondContact O-CA 3.44Å; L252-E265 HydrophobicContact CB-CB 4.48Å; L252-E265 PolarHBondContact N-O 3.41Å; L252-E265 PolarHBondContact O-N 3.35Å; L252-L275 HydrophobicContact CD1-CD1 4.13Å; L252-L275 HydrophobicContact CD1-CD2 3.73Å; L252-L284 HydrophobicContact CD1-CD2 4.03Å; L252-L284 HydrophobicContact CD2-CD2 4.09Å; L252-L284 HydrophobicContact CG-CD2 4.41Å; L252-I294 HydrophobicContact CD2-CD1 4.2Å; L252-A296 HydrophobicContact CD2-CB 4.21Å
253R96.4Very high95.2Very high32 Ų3220.4 Ų20.412%0.12111%0.106CC..EExtended strand (participates in β ladder)trans-117.7137.1-177-173.2-175-80.9-141.9-3.9110.2A245 V246 A263 L264A245-R253 CarbonylContact C-O 3.56Å; A245-R253 VanDerWaalsContact CA-O 3.31Å; A245-R253 WeakPolarHBondContact CA-O 3.2Å; V246-R253 HydrophobicContact CB-CB 4.22Å; V246-R253 PolarHBondContact N-O 3.23Å; V246-R253 PolarHBondContact O-N 3.47Å; R253-A263 WeakPolarHBondContact CA-O 3.48Å; R253-A263 WeakPolarHBondContact CG-O 3.31Å; R253-L264 HydrophobicContact CB-CD1 4.09Å
254L97.3Very high95.2Very high0 Ų023.3 Ų23.30%012%0.121CC..EExtended strand (participates in β ladder)trans-99.8128.2169.4-177.965.1000109.1M1 L3 V243 S261 Y262 A263 W277 V298M1-L254 HydrophobicContact CB-CD2 4.43Å; L3-L254 HydrophobicContact CD1-CB 3.81Å; L3-L254 HydrophobicContact CD2-CD1 4.35Å; L3-L254 HydrophobicContact CD2-CD2 4.36Å; L3-L254 HydrophobicContact CG-CB 3.81Å; L3-L254 HydrophobicContact CG-CD1 4.41Å; L3-L254 HydrophobicContact CG-CD2 4.12Å; L3-L254 HydrophobicContact CG-CG 4.34Å; V243-L254 HydrophobicContact CB-CD1 4.03Å; V243-L254 HydrophobicContact CG2-CD1 4.16Å; L254-S261 CarbonylContact O-C 3.21Å; L254-Y262 HydrophobicContact CD2-CD2 4.47Å; L254-Y262 HydrophobicContact CG-CD2 4.22Å; L254-Y262 PolarHBondContact O-N 3.39Å; L254-A263 PolarHBondContact N-O 3.02Å; L254-A263 PolarHBondContact O-N 3.26Å; L254-W277 HydrophobicContact CD1-CH2 3.77Å; L254-W277 HydrophobicContact CD1-CZ2 4.12Å; L254-V298 HydrophobicContact CD2-CG1 4.41Å
255C96.5Very high95Very high0 Ų025.7 Ų25.70%013%0.132CC..EExtended strand (participates in β ladder)trans-125.8151.4-178.2-53.10000111Y212 V243 F244 W260Y212-C255 PolarHBondContact OH-SG 2.87Å; V243-C255 CarbonylContact C-O 3.59Å; V243-C255 VanDerWaalsContact CA-O 3.25Å; V243-C255 WeakPolarHBondContact CA-O 3.49Å; V243-C255 WeakPolarHBondContact CB-O 3.25Å; F244-C255 HydrophobicContact CD1-CB 4.04Å; F244-C255 HydrophobicContact CD2-CB 3.84Å; F244-C255 HydrophobicContact CE1-CB 3.66Å; F244-C255 HydrophobicContact CE2-CB 3.41Å; F244-C255 VanDerWaalsContact CE2-CB 3.41Å; F244-C255 HydrophobicContact CG-CB 4.14Å; F244-C255 HydrophobicContact CZ-CB 3.31Å; F244-C255 PolarHBondContact N-O 3.14Å; F244-C255 PolarHBondContact O-N 2.95Å; C255-W260 CarbonylContact C-O 3.57Å; C255-W260 VanDerWaalsContact CA-O 3.24Å; C255-W260 WeakPolarHBondContact CA-O 3.3Å; C255-W260 WeakPolarHBondContact CB-O 3.49Å
256D94.6Very high94.8Very high15 Ų1532.6 Ų32.68%0.0816%0.162CC..EExtended strand (participates in β ladder)trans-74.6156.4169-170.4-96.8000110.9F244 T258 G259 W260 Y262F244-D256 WeakPolarHBondContact CD1-O 3.36Å; F244-D256 WeakPolarHBondContact CE1-O 3.48Å; D256-T258 PolarHBondContact O-N 3.42Å; D256-T258 WeakPolarHBondContact OD1-CB 3.33Å; D256-T258 WeakPolarHBondContact OD1-CG2 3.39Å; D256-T258 PolarHBondContact OD1-N 3.07Å; D256-T258 PolarHBondContact OD1-OG1 3.2Å; D256-G259 WeakPolarHBondContact O-CA 3.37Å; D256-G259 PolarHBondContact O-N 3.07Å; D256-W260 HydrophobicContact CB-CD2 3.99Å; D256-W260 VanDerWaalsContact CB-CE2 3.44Å; D256-W260 HydrophobicContact CB-CG 4.23Å; D256-W260 HydrophobicContact CB-CZ2 3.87Å; D256-W260 VanDerWaalsContact CB-NE1 3.32Å; D256-W260 PolarHBondContact N-O 3.46Å; D256-Y262 HydrophobicContact CB-CD2 4.27Å; D256-Y262 HydrophobicContact CB-CE2 3.52Å; D256-Y262 PolarHBondContact OD2-OH 3.2Å
257K93.2Very high94.3Very high39 Ų3933.5 Ų33.517%0.1717%0.168CC..THydrogen-bonded Turntrans-53.2-28.3174.667.2-176.5175.1-158.60114.5L202 W237 G241 E242 G259L202-K257 HydrophobicContact CD1-CB 4.44Å; W237-K257 HydrophobicContact CH2-CB 3.94Å; W237-K257 HydrophobicContact CZ3-CB 3.78Å; G241-K257 WeakPolarHBondContact O-CB 3.4Å; E242-K257 PolarHBondContact O-N 2.84Å; E242-K257 IonicContact OE1-NZ 2.65Å; E242-K257 PolarHBondContact OE1-NZ 2.72Å; E242-K257 WeakPolarHBondContact OE2-CE 3.48Å; E242-K257 IonicContact OE2-NZ 2.84Å; E242-K257 PolarHBondContact OE2-NZ 2.97Å; K257-G259 VanDerWaalsContact C-N 3.28Å; K257-G259 PolarHBondContact O-N 3.09Å
258T91.3Very high94Very high64 Ų6439.3 Ų39.339%0.39320%0.199SC..THydrogen-bonded Turntrans-76.6-12.5175.757.20000113.6H223 D256 W260H223-T258 VanDerWaalsContact CB-O 3.31Å; H223-T258 WeakPolarHBondContact CB-O 3.41Å; D256-T258 PolarHBondContact O-N 3.42Å; D256-T258 WeakPolarHBondContact OD1-CB 3.33Å; D256-T258 WeakPolarHBondContact OD1-CG2 3.39Å; D256-T258 PolarHBondContact OD1-N 3.07Å; D256-T258 PolarHBondContact OD1-OG1 3.2Å; T258-W260 PolarHBondContact OG1-NE1 3.22Å
259G92.4Very high93.7Very high0 Ų039.2 Ų39.20%020%0.199CC..SBendtrans110-19.616900000116Y212 H223 D256 K257Y212-G259 WeakPolarHBondContact CE2-O 3.1Å; Y212-G259 PolarHBondContact OH-O 3.35Å; H223-G259 PolarHBondContact NE2-O 3.28Å; D256-G259 WeakPolarHBondContact O-CA 3.37Å; D256-G259 PolarHBondContact O-N 3.07Å; K257-G259 VanDerWaalsContact C-N 3.28Å; K257-G259 PolarHBondContact O-N 3.09Å
260W92.1Very high93.5Very high25 Ų2536.6 Ų36.610%0.09519%0.191CC..  trans-68.4157.6176.366.9-93.4000111.7C255 D256 T258 Y262C255-W260 CarbonylContact C-O 3.57Å; C255-W260 VanDerWaalsContact CA-O 3.24Å; C255-W260 WeakPolarHBondContact CA-O 3.3Å; C255-W260 WeakPolarHBondContact CB-O 3.49Å; D256-W260 HydrophobicContact CB-CD2 3.99Å; D256-W260 VanDerWaalsContact CB-CE2 3.44Å; D256-W260 HydrophobicContact CB-CG 4.23Å; D256-W260 HydrophobicContact CB-CZ2 3.87Å; D256-W260 VanDerWaalsContact CB-NE1 3.32Å; D256-W260 PolarHBondContact N-O 3.46Å; T258-W260 PolarHBondContact OG1-NE1 3.22Å; W260-Y262 AromaticContact CH2-CD1 3.45Å; W260-Y262 HydrophobicContact CH2-CD1 3.45Å; W260-Y262 VanDerWaalsContact CH2-CD1 3.45Å; W260-Y262 HydrophobicContact CH2-CD2 4.39Å; W260-Y262 AromaticContact CH2-CE1 3.12Å; W260-Y262 HydrophobicContact CH2-CE1 3.12Å; W260-Y262 HydrophobicContact CH2-CE2 4.1Å; W260-Y262 HydrophobicContact CH2-CG 4.08Å; W260-Y262 AromaticContact CH2-CZ 3.45Å; W260-Y262 VanDerWaalsContact CH2-CZ 3.45Å; W260-Y262 HydrophobicContact CZ2-CD1 4.39Å; W260-Y262 AromaticContact CZ2-CE1 3.74Å; W260-Y262 HydrophobicContact CZ2-CE1 3.74Å; W260-Y262 HydrophobicContact CZ2-CE2 4.15Å; W260-Y262 AromaticContact CZ2-CZ 3.56Å; W260-Y262 AromaticContact CZ3-CD1 3.68Å; W260-Y262 HydrophobicContact CZ3-CD1 3.68Å; W260-Y262 HydrophobicContact CZ3-CD2 4.47Å; W260-Y262 AromaticContact CZ3-CE1 3.87Å; W260-Y262 HydrophobicContact CZ3-CE1 3.87Å; W260-Y262 HydrophobicContact CZ3-CG 4.01Å
261S93.4Very high93.5Very high49 Ų4936.3 Ų36.334%0.34319%0.192SC..EExtended strand (participates in β ladder)trans-98.8126.1-171.1630000113.1L254L254-S261 CarbonylContact O-C 3.21Å
262Y93Very high93.6Very high50 Ų5035.7 Ų35.720%0.19619%0.188CC..EExtended strand (participates in β ladder)trans-72.8-47.8170.4-77.9-77000112.4M1 V243 L254 D256 W260M1-Y262 HydrophobicContact CB-CD1 3.82Å; M1-Y262 HydrophobicContact CB-CE1 4.18Å; M1-Y262 HydrophobicContact CB-CG 4.21Å; M1-Y262 HydrophobicContact CG-CD1 4.4Å; M1-Y262 HydrophobicContact CG-CE1 4.26Å; M1-Y262 HydrophobicContact SD-CE1 4.46Å; V243-Y262 HydrophobicContact CG1-CE2 4.04Å; L254-Y262 HydrophobicContact CD2-CD2 4.47Å; L254-Y262 HydrophobicContact CG-CD2 4.22Å; L254-Y262 PolarHBondContact O-N 3.39Å; D256-Y262 HydrophobicContact CB-CD2 4.27Å; D256-Y262 HydrophobicContact CB-CE2 3.52Å; D256-Y262 PolarHBondContact OD2-OH 3.2Å; W260-Y262 AromaticContact CH2-CD1 3.45Å; W260-Y262 HydrophobicContact CH2-CD1 3.45Å; W260-Y262 VanDerWaalsContact CH2-CD1 3.45Å; W260-Y262 HydrophobicContact CH2-CD2 4.39Å; W260-Y262 AromaticContact CH2-CE1 3.12Å; W260-Y262 HydrophobicContact CH2-CE1 3.12Å; W260-Y262 HydrophobicContact CH2-CE2 4.1Å; W260-Y262 HydrophobicContact CH2-CG 4.08Å; W260-Y262 AromaticContact CH2-CZ 3.45Å; W260-Y262 VanDerWaalsContact CH2-CZ 3.45Å; W260-Y262 HydrophobicContact CZ2-CD1 4.39Å; W260-Y262 AromaticContact CZ2-CE1 3.74Å; W260-Y262 HydrophobicContact CZ2-CE1 3.74Å; W260-Y262 HydrophobicContact CZ2-CE2 4.15Å; W260-Y262 AromaticContact CZ2-CZ 3.56Å; W260-Y262 AromaticContact CZ3-CD1 3.68Å; W260-Y262 HydrophobicContact CZ3-CD1 3.68Å; W260-Y262 HydrophobicContact CZ3-CD2 4.47Å; W260-Y262 AromaticContact CZ3-CE1 3.87Å; W260-Y262 HydrophobicContact CZ3-CE1 3.87Å; W260-Y262 HydrophobicContact CZ3-CG 4.01Å
263A93Very high93.5Very high18 Ų1839.4 Ų39.415%0.14920%0.204CC..EExtended strand (participates in β ladder)trans-154.3152.3-174.200000111.6R2 R253 L254R2-A263 HydrophobicContact CB-CB 3.83Å; R253-A263 WeakPolarHBondContact CA-O 3.48Å; R253-A263 WeakPolarHBondContact CG-O 3.31Å; L254-A263 PolarHBondContact N-O 3.02Å; L254-A263 PolarHBondContact O-N 3.26Å
264L94.5Very high93.5Very high75 Ų7538 Ų3839%0.39320%0.199SC..EExtended strand (participates in β ladder)trans-125.7115.4174.3176.667.5000109.1T251 R253T251-L264 HydrophobicContact CG2-CD1 4.43Å; R253-L264 HydrophobicContact CB-CD1 4.09Å
265E94.8Very high93.6Very high49 Ų4938.5 Ų38.523%0.22920%0.202CC..EExtended strand (participates in β ladder)trans-103.9144.8176.7-63.3-61.1149.100110.2L3 T5 T251 L252 P267L3-E265 HydrophobicContact CB-CG 4.17Å; T5-E265 HydrophobicContact CG2-CB 3.99Å; T5-E265 HydrophobicContact CG2-CG 3.99Å; T251-E265 WeakPolarHBondContact CA-O 3.31Å; L252-E265 HydrophobicContact CB-CB 4.48Å; L252-E265 PolarHBondContact N-O 3.41Å; L252-E265 PolarHBondContact O-N 3.35Å; E265-P267 WeakPolarHBondContact O-CD 3.27Å
266K93.9Very high93.6Very high145 Ų14539.1 Ų39.163%0.6321%0.207SC*.  trans-122.775.8-179.6-63.9-169.7179.9-172.30111.8N250 T251 N268N250-K266 VanDerWaalsContact O-CA 3.22Å; N250-K266 WeakPolarHBondContact O-CA 3.49Å; T251-K266 HydrophobicContact CG2-CG 4.48Å; K266-N268 PolarHBondContact O-N 3.01Å
267P88Confident93.6Very high21 Ų2139.3 Ų39.314%0.13621%0.207CC..  trans-75.8-1.6-168.632.2-39.8000115.6N250 E265 T269 I294N250-P267 WeakPolarHBondContact O-CD 3.47Å; E265-P267 WeakPolarHBondContact O-CD 3.27Å; P267-T269 HydrophobicContact CB-CG2 3.83Å; P267-T269 HydrophobicContact CG-CG2 4.03Å; P267-I294 HydrophobicContact CB-CD1 3.31Å; P267-I294 HydrophobicContact CG-CD1 3.45Å; P267-I294 VanDerWaalsContact CG-CD1 3.45Å
268N90.1Very high93.6Very high121 Ų12137.5 Ų37.565%0.64720%0.199SC*.  trans54.554.4-177.6-165.536.5000113.8N250 K266N250-N268 VanDerWaalsContact OD1-C 3.27Å; N250-N268 WeakPolarHBondContact OD1-CA 3.42Å; K266-N268 PolarHBondContact O-N 3.01Å
269T89.6Confident93.3Very high0 Ų037.4 Ų37.40%020%0.204CC..  trans-114.77.6-171.353.40000114.9L7 N250 P267 C288 G289 N290L7-T269 HydrophobicContact CD1-CG2 3.77Å; L7-T269 HydrophobicContact CD2-CG2 3.95Å; N250-T269 PolarHBondContact OD1-N 3.19Å; P267-T269 HydrophobicContact CB-CG2 3.83Å; P267-T269 HydrophobicContact CG-CG2 4.03Å; T269-C288 VanDerWaalsContact CB-SG 3.55Å; T269-C288 HydrophobicContact CG2-CB 4.48Å; T269-C288 WeakPolarHBondContact O-CB 3.36Å; T269-G289 PolarHBondContact O-N 3.43Å; T269-N290 WeakPolarHBondContact CA-ND2 3.1Å; T269-N290 VanDerWaalsContact O-CG 3.28Å; T269-N290 PolarHBondContact O-N 3.31Å; T269-N290 PolarHBondContact O-OD1 3.06Å; T269-N290 VanDerWaalsContact O-OD1 3.1Å
270G93Very high93.1Very high14 Ų1438.1 Ų38.114%0.14421%0.208CC..SBendtrans68.2-158.6-164.200000112.2N250N250-G270 PolarHBondContact N-O 3.15Å; N250-G270 WeakPolarHBondContact OD1-CA 3.4Å; N250-G270 PolarHBondContact OD1-N 3.2Å
271S94.6Very high93Very high29 Ų2937.4 Ų37.420%0.20321%0.209CC..BIsolated β-bridgetrans-64.7136.8175.6-63.60000111.6G289S271-G289 PolarHBondContact O-N 3.46Å
272V96.6Very high92.9Very high1 Ų135.8 Ų35.81%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-92.5107.4170.5-174.90000108.5T233 S234 S248 L275 A287T233-V272 WeakPolarHBondContact CB-O 3.1Å; T233-V272 PolarHBondContact OG1-O 3.43Å; S234-V272 VanDerWaalsContact CB-O 3.26Å; S234-V272 WeakPolarHBondContact CB-O 3.34Å; S234-V272 WeakPolarHBondContact OG-CG1 3.36Å; S234-V272 PolarHBondContact OG-O 3.39Å; S248-V272 PolarHBondContact O-N 2.96Å; V272-L275 HydrophobicContact CG1-CD2 3.75Å; V272-L275 HydrophobicContact CG1-CG 3.99Å; V272-A287 CarbonylContact C-O 3.58Å; V272-A287 WeakPolarHBondContact CA-O 3.48Å
273F95.7Very high92.9Very high80 Ų8034 Ų3435%0.35119%0.19SC..EExtended strand (participates in β ladder)trans-86.4-27-172.4-68.2-65.5000113.7A287F273-A287 PolarHBondContact N-O 3.44Å
274N96.8Very high93.1Very high4 Ų433.2 Ų33.22%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-146.4142.5-178.3-163.7-82.3000110.2S18 C19 V20 D61 G286 A287S18-N274 WeakPolarHBondContact O-CB 3.22Å; C19-N274 HydrophobicContact CB-CB 4.28Å; V20-N274 HydrophobicContact CG2-CB 4.49Å; V20-N274 PolarHBondContact O-OD1 2.9Å; D61-N274 PolarHBondContact OD1-ND2 2.94Å; N274-G286 CarbonylContact O-C 3.49Å; N274-G286 VanDerWaalsContact O-CA 3.32Å; N274-G286 WeakPolarHBondContact O-CA 3.45Å; N274-A287 HydrophobicContact CB-CB 3.84Å; N274-A287 PolarHBondContact O-N 2.99Å
275L97.5Very high93.2Very high9 Ų929.7 Ų29.75%0.04717%0.165CC..EExtended strand (participates in β ladder)trans-128.6136.3176.1-74.8173.4000108.2A245 L252 V272 L284 A285A245-L275 HydrophobicContact CB-CD1 3.95Å; L252-L275 HydrophobicContact CD1-CD1 4.13Å; L252-L275 HydrophobicContact CD1-CD2 3.73Å; V272-L275 HydrophobicContact CG1-CD2 3.75Å; V272-L275 HydrophobicContact CG1-CG 3.99Å; L275-L284 HydrophobicContact CB-CD1 4.22Å; L275-L284 HydrophobicContact CD2-CD1 4.1Å; L275-L284 HydrophobicContact CD2-CD2 4.23Å; L275-L284 HydrophobicContact CD2-CG 4.24Å; L275-A285 WeakPolarHBondContact CA-O 3.44Å
276A96.6Very high93.3Very high14 Ų1427.3 Ų27.312%0.11615%0.154CC..EExtended strand (participates in β ladder)trans-138.7131176.400000110.4V20 W22 A285V20-A276 HydrophobicContact CG2-CB 4.1Å; W22-A276 VanDerWaalsContact CD1-O 3.25Å; W22-A276 PolarHBondContact NE1-O 3.48Å; A276-A285 PolarHBondContact N-O 2.97Å; A276-A285 PolarHBondContact O-N 3.43Å
277W95.4Very high93.4Very high19 Ų1920.4 Ų20.47%0.07212%0.124CC..EExtended strand (participates in β ladder)trans-88.6149.4174.1-7291.4000111.8S236 W237 A238 P239 V243 A245 L254 G281 Q283 L284 V298S236-W277 PolarHBondContact O-NE1 2.85Å; W237-W277 VanDerWaalsContact C-CD1 3.43Å; A238-W277 HydrophobicContact CB-CD2 3.87Å; A238-W277 HydrophobicContact CB-CE3 4.06Å; A238-W277 HydrophobicContact CB-CG 4.27Å; A238-W277 HydrophobicContact CB-CH2 4.46Å; A238-W277 HydrophobicContact CB-CZ2 4.27Å; A238-W277 HydrophobicContact CB-CZ3 4.36Å; P239-W277 HydrophobicContact CG-CB 4.49Å; V243-W277 HydrophobicContact CG2-CH2 3.86Å; V243-W277 HydrophobicContact CG2-CZ2 4.22Å; V243-W277 HydrophobicContact CG2-CZ3 4.44Å; A245-W277 HydrophobicContact CB-CZ2 3.79Å; L254-W277 HydrophobicContact CD1-CH2 3.77Å; L254-W277 HydrophobicContact CD1-CZ2 4.12Å; W277-G281 WeakPolarHBondContact CZ3-O 3.11Å; W277-Q283 CarbonylContact C-O 3.58Å; W277-Q283 WeakPolarHBondContact CA-O 3.46Å; W277-Q283 VanDerWaalsContact CE3-O 3.27Å; W277-L284 HydrophobicContact CD2-CB 4.32Å; W277-L284 HydrophobicContact CD2-CD1 3.91Å; W277-L284 HydrophobicContact CE3-CB 4.18Å; W277-L284 HydrophobicContact CG-CD1 4Å; W277-L284 HydrophobicContact CZ2-CD1 4.36Å; W277-L284 HydrophobicContact CZ2-CD2 4.42Å; W277-L284 HydrophobicContact CZ3-CB 4.29Å; W277-V298 HydrophobicContact CH2-CG2 4.02Å; W277-V298 HydrophobicContact CZ3-CG2 3.81Å
278S92.4Very high93.8Very high0 Ų019.4 Ų19.40%012%0.117CC..  trans-64.1152.2165.356.90000110.2P239 D280 G281 T282 Q283P239-S278 WeakPolarHBondContact CG-O 3.49Å; S278-D280 WeakPolarHBondContact CB-OD1 3.47Å; S278-D280 PolarHBondContact O-N 3.45Å; S278-D280 VanDerWaalsContact O-N 3.09Å; S278-D280 PolarHBondContact OG-OD1 3.01Å; S278-G281 PolarHBondContact O-N 2.95Å; S278-T282 PolarHBondContact OG-N 3.38Å; S278-Q283 PolarHBondContact N-O 3.34Å; S278-Q283 PolarHBondContact OG-N 3.1Å; S278-Q283 PolarHBondContact OG-O 2.84Å
279A86.9Confident94Very high62 Ų6215 Ų1551%0.51210%0.101SC..THydrogen-bonded Turntrans-59.7-23.8-179.400000113.8T375A279-T375 HydrophobicContact CB-CG2 4.33Å
280D87.2Confident94.2Very high16 Ų1618.2 Ų18.29%0.08612%0.118CC..THydrogen-bonded Turntrans-88.1-1.8175.768.53.6000113.9A25 S278 T282 R336 I338 T375A25-D280 WeakPolarHBondContact CB-OD2 3.48Å; S278-D280 WeakPolarHBondContact CB-OD1 3.47Å; S278-D280 PolarHBondContact O-N 3.45Å; S278-D280 VanDerWaalsContact O-N 3.09Å; S278-D280 PolarHBondContact OG-OD1 3.01Å; D280-T282 HydrophobicContact CB-CG2 4.41Å; D280-T282 PolarHBondContact O-N 2.7Å; D280-T282 PolarHBondContact OD1-N 2.7Å; D280-T282 PolarHBondContact OD1-OG1 3.22Å; D280-T282 PolarHBondContact OD2-OG1 3.16Å; D280-T282 VanDerWaalsContact OD2-OG1 3.1Å; D280-R336 IonicContact OD2-CZ 2.78Å; D280-R336 IonicContact OD2-NE 3.03Å; D280-R336 PolarHBondContact OD2-NE 3.06Å; D280-R336 VanDerWaalsContact OD2-NE 3.14Å; D280-R336 IonicContact OD2-NH2 3.76Å; D280-R336 PolarHBondContact OD2-NH2 3.16Å; D280-I338 HydrophobicContact CB-CD1 3.94Å; D280-I338 HydrophobicContact CB-CG1 4.31Å; D280-I338 HydrophobicContact CB-CG2 4.04Å; D280-T375 HydrophobicContact CB-CG2 4.42Å
281G89.7Confident94.2Very high10 Ų1017.5 Ų17.510%0.10311%0.111CC..SBendtrans70.14.4179.600000115.7W277 S278W277-G281 WeakPolarHBondContact CZ3-O 3.11Å; S278-G281 PolarHBondContact O-N 2.95Å
282T92Very high94.2Very high15 Ų1517 Ų179%0.09211%0.105CC..SBendtrans-85.3-23-176.163.90000114S278 D280 H297 V298 R336 I338S278-T282 PolarHBondContact OG-N 3.38Å; D280-T282 HydrophobicContact CB-CG2 4.41Å; D280-T282 PolarHBondContact O-N 2.7Å; D280-T282 PolarHBondContact OD1-N 2.7Å; D280-T282 PolarHBondContact OD1-OG1 3.22Å; D280-T282 PolarHBondContact OD2-OG1 3.16Å; D280-T282 VanDerWaalsContact OD2-OG1 3.1Å; T282-H297 WeakPolarHBondContact O-CA 3.46Å; T282-V298 PolarHBondContact O-N 3.02Å; T282-R336 WeakPolarHBondContact OG1-CD 3.49Å; T282-R336 PolarHBondContact OG1-NE 3.48Å; T282-I338 HydrophobicContact CG2-CB 4.27Å; T282-I338 HydrophobicContact CG2-CG1 4.17Å; T282-I338 HydrophobicContact CG2-CG2 4.29Å
283Q93.3Very high94.1Very high13 Ų1317.3 Ų17.36%0.06111%0.107CC..EExtended strand (participates in β ladder)trans-132152.1-171.7-68.4173.391.300111.7W22 A25 W277 S278 A296 H297W22-Q283 HydrophobicContact CH2-CB 4.22Å; W22-Q283 HydrophobicContact CZ2-CB 4.15Å; A25-Q283 PolarHBondContact O-NE2 3.29Å; W277-Q283 CarbonylContact C-O 3.58Å; W277-Q283 WeakPolarHBondContact CA-O 3.46Å; W277-Q283 VanDerWaalsContact CE3-O 3.27Å; S278-Q283 PolarHBondContact N-O 3.34Å; S278-Q283 PolarHBondContact OG-N 3.1Å; S278-Q283 PolarHBondContact OG-O 2.84Å; Q283-A296 CarbonylContact C-O 3.59Å; Q283-A296 WeakPolarHBondContact CA-O 3.23Å; Q283-H297 HydrophobicContact CG-CB 4.07Å
284L96.1Very high94.1Very high1 Ų113.6 Ų13.61%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-133.8140.1-178.2177.269.5000109L3 A245 L252 L275 W277 F295 A296L3-L284 HydrophobicContact CD1-CD2 4.15Å; A245-L284 HydrophobicContact CB-CD1 4.01Å; A245-L284 HydrophobicContact CB-CD2 3.39Å; A245-L284 HydrophobicContact CB-CG 4.36Å; L252-L284 HydrophobicContact CD1-CD2 4.03Å; L252-L284 HydrophobicContact CD2-CD2 4.09Å; L252-L284 HydrophobicContact CG-CD2 4.41Å; L275-L284 HydrophobicContact CB-CD1 4.22Å; L275-L284 HydrophobicContact CD2-CD1 4.1Å; L275-L284 HydrophobicContact CD2-CD2 4.23Å; L275-L284 HydrophobicContact CD2-CG 4.24Å; W277-L284 HydrophobicContact CD2-CB 4.32Å; W277-L284 HydrophobicContact CD2-CD1 3.91Å; W277-L284 HydrophobicContact CE3-CB 4.18Å; W277-L284 HydrophobicContact CG-CD1 4Å; W277-L284 HydrophobicContact CZ2-CD1 4.36Å; W277-L284 HydrophobicContact CZ2-CD2 4.42Å; W277-L284 HydrophobicContact CZ3-CB 4.29Å; L284-F295 CarbonylContact O-C 3.59Å; L284-F295 WeakPolarHBondContact O-CA 3.25Å; L284-A296 HydrophobicContact CB-CB 4.38Å; L284-A296 PolarHBondContact N-O 3.23Å; L284-A296 PolarHBondContact O-N 3.25Å
285A96.8Very high94Very high0 Ų014.5 Ų14.50%09%0.094CC..EExtended strand (participates in β ladder)trans-119.6145.6169.200000110.4V20 W22 L28 L275 A276 I294 F295V20-A285 HydrophobicContact CG2-CB 4.27Å; W22-A285 HydrophobicContact CZ2-CB 3.83Å; L28-A285 HydrophobicContact CD1-CB 3.59Å; L28-A285 HydrophobicContact CD2-CB 3.49Å; L28-A285 VanDerWaalsContact CD2-CB 3.49Å; L28-A285 HydrophobicContact CG-CB 4.19Å; L275-A285 WeakPolarHBondContact CA-O 3.44Å; A276-A285 PolarHBondContact N-O 2.97Å; A276-A285 PolarHBondContact O-N 3.43Å; A285-I294 CarbonylContact C-O 3.5Å; A285-I294 VanDerWaalsContact CA-O 3.25Å; A285-I294 WeakPolarHBondContact CA-O 3.17Å; A285-F295 HydrophobicContact CB-CD1 4.32Å; A285-F295 HydrophobicContact CB-CE1 4.42Å
286G96.9Very high93.9Very high0 Ų014.2 Ų14.20%09%0.094CC..EExtended strand (participates in β ladder)trans-129132.9175.600000112.9N274 V293 I294N274-G286 CarbonylContact O-C 3.49Å; N274-G286 VanDerWaalsContact O-CA 3.32Å; N274-G286 WeakPolarHBondContact O-CA 3.45Å; G286-V293 WeakPolarHBondContact O-CA 3.36Å; G286-I294 PolarHBondContact N-O 2.84Å; G286-I294 PolarHBondContact O-N 3.18Å
287A96.6Very high93.7Very high0 Ų015.2 Ų15.20%010%0.096CC..EExtended strand (participates in β ladder)trans-84.1120.6172.900000109.6V17 V20 V272 F273 N274V17-A287 HydrophobicContact CB-CB 4.05Å; V17-A287 HydrophobicContact CG1-CB 3.74Å; V17-A287 WeakPolarHBondContact O-CB 3.25Å; V20-A287 HydrophobicContact CG1-CB 3.96Å; V20-A287 HydrophobicContact CG2-CB 4.23Å; V272-A287 CarbonylContact C-O 3.58Å; V272-A287 WeakPolarHBondContact CA-O 3.48Å; F273-A287 PolarHBondContact N-O 3.44Å; N274-A287 HydrophobicContact CB-CB 3.84Å; N274-A287 PolarHBondContact O-N 2.99Å
288C96.6Very high93.6Very high0 Ų014.9 Ų14.90%010%0.096CC..EExtended strand (participates in β ladder)trans-112.4148-170.9-54.10000112.8V17 T269 N290 G291 H292V17-C288 PolarHBondContact N-O 2.84Å; V17-C288 VanDerWaalsContact N-O 3.09Å; T269-C288 VanDerWaalsContact CB-SG 3.55Å; T269-C288 HydrophobicContact CG2-CB 4.48Å; T269-C288 WeakPolarHBondContact O-CB 3.36Å; C288-N290 PolarHBondContact O-N 2.93Å; C288-G291 PolarHBondContact O-N 3.21Å; C288-H292 HydrophobicContact CB-CB 4.32Å; C288-H292 WeakPolarHBondContact CB-O 3.15Å; C288-H292 PolarHBondContact N-O 3.47Å; C288-H292 VanDerWaalsContact N-O 3.13Å
289G94Very high93.6Very high29 Ų2914.9 Ų14.930%0.29910%0.096SC..THydrogen-bonded Turntrans-67.8-17.4-177.800000115.7L16 T269 S271L16-G289 WeakPolarHBondContact CB-O 3.46Å; T269-G289 PolarHBondContact O-N 3.43Å; S271-G289 PolarHBondContact O-N 3.46Å
290N93.1Very high93.9Very high66 Ų6615.3 Ų15.335%0.3539%0.087SC..THydrogen-bonded Turntrans-95.315.3177.570.4-11.4000114T269 C288 H292T269-N290 WeakPolarHBondContact CA-ND2 3.1Å; T269-N290 VanDerWaalsContact O-CG 3.28Å; T269-N290 PolarHBondContact O-N 3.31Å; T269-N290 PolarHBondContact O-OD1 3.06Å; T269-N290 VanDerWaalsContact O-OD1 3.1Å; C288-N290 PolarHBondContact O-N 2.93Å; N290-H292 VanDerWaalsContact C-N 3.31Å; N290-H292 VanDerWaalsContact CG-CD2 3.48Å; N290-H292 PolarHBondContact ND2-CD2 3.24Å; N290-H292 VanDerWaalsContact ND2-CD2 3.35Å; N290-H292 PolarHBondContact O-N 3.25Å; N290-H292 WeakPolarHBondContact OD1-CB 3.42Å; N290-H292 PolarHBondContact OD1-CD2 3.49Å; N290-H292 VanDerWaalsContact OD1-CD2 3.32Å; N290-H292 PolarHBondContact OD1-N 2.86Å
291G92.7Very high94.1Very high0 Ų016.4 Ų16.40%09%0.092CC..SBendtrans83.6-0.618000000115.2P11 E15 V17 C288P11-G291 WeakPolarHBondContact CB-O 3.48Å; E15-G291 WeakPolarHBondContact O-CA 3.24Å; V17-G291 WeakPolarHBondContact CG2-O 3.46Å; C288-G291 PolarHBondContact O-N 3.21Å
292H95Very high94.1Very high19 Ų1919.6 Ų19.69%0.08810%0.104CC..  trans-81.3153173.3-74-97.6000112.7L7 L8 P11 V17 C288 N290L7-H292 HydrophobicContact CD1-CB 3.69Å; L8-H292 PolarHBondContact O-CE1 2.82Å; L8-H292 PolarHBondContact O-ND1 2.86Å; P11-H292 WeakPolarHBondContact CD-NE2 3.2Å; P11-H292 VanDerWaalsContact N-CE1 3.34Å; V17-H292 WeakPolarHBondContact CG2-O 3.28Å; C288-H292 HydrophobicContact CB-CB 4.32Å; C288-H292 WeakPolarHBondContact CB-O 3.15Å; C288-H292 PolarHBondContact N-O 3.47Å; C288-H292 VanDerWaalsContact N-O 3.13Å; N290-H292 VanDerWaalsContact C-N 3.31Å; N290-H292 VanDerWaalsContact CG-CD2 3.48Å; N290-H292 PolarHBondContact ND2-CD2 3.24Å; N290-H292 VanDerWaalsContact ND2-CD2 3.35Å; N290-H292 PolarHBondContact O-N 3.25Å; N290-H292 WeakPolarHBondContact OD1-CB 3.42Å; N290-H292 PolarHBondContact OD1-CD2 3.49Å; N290-H292 VanDerWaalsContact OD1-CD2 3.32Å; N290-H292 PolarHBondContact OD1-N 2.86Å
293V95.6Very high94.2Very high6 Ų621 Ų214%0.03611%0.108CC..EExtended strand (participates in β ladder)trans-108.6118.5160.2179.70000106.9V17 V20 L28 W40 G286 F295V17-V293 HydrophobicContact CG1-CG2 4.17Å; V17-V293 HydrophobicContact CG2-CG2 4.19Å; V20-V293 HydrophobicContact CG1-CG1 4.16Å; V20-V293 HydrophobicContact CG1-CG2 4.4Å; L28-V293 HydrophobicContact CD2-CG1 3.68Å; W40-V293 HydrophobicContact CH2-CB 4.2Å; W40-V293 HydrophobicContact CH2-CG2 4.2Å; W40-V293 HydrophobicContact CZ2-CB 3.99Å; W40-V293 HydrophobicContact CZ2-CG2 3.57Å; G286-V293 WeakPolarHBondContact O-CA 3.36Å; V293-F295 HydrophobicContact CB-CE2 4.24Å; V293-F295 HydrophobicContact CG1-CD2 4.37Å; V293-F295 HydrophobicContact CG1-CE1 4.37Å; V293-F295 HydrophobicContact CG1-CE2 3.79Å; V293-F295 HydrophobicContact CG1-CZ 3.81Å
294I95.1Very high94.1Very high2 Ų224 Ų241%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-86.8133.5174.1-171170.6000109.2T5 L7 L252 P267 A285 G286T5-I294 HydrophobicContact CG2-CD1 3.81Å; T5-I294 HydrophobicContact CG2-CG1 4.46Å; L7-I294 HydrophobicContact CD1-CB 4.24Å; L7-I294 HydrophobicContact CD1-CG1 4.49Å; L252-I294 HydrophobicContact CD2-CD1 4.2Å; P267-I294 HydrophobicContact CB-CD1 3.31Å; P267-I294 HydrophobicContact CG-CD1 3.45Å; P267-I294 VanDerWaalsContact CG-CD1 3.45Å; A285-I294 CarbonylContact C-O 3.5Å; A285-I294 VanDerWaalsContact CA-O 3.25Å; A285-I294 WeakPolarHBondContact CA-O 3.17Å; G286-I294 PolarHBondContact N-O 2.84Å; G286-I294 PolarHBondContact O-N 3.18Å
295F95.2Very high93.9Very high23 Ų2324.7 Ų24.710%0.10112%0.124CC..EExtended strand (participates in β ladder)trans-109.6140.3169-64.5-87.2000109T5 S6 W22 L28 W40 L42 L284 A285 V293T5-F295 CarbonylContact C-O 3.58Å; T5-F295 WeakPolarHBondContact CA-O 3.43Å; S6-F295 PolarHBondContact N-O 2.96Å; S6-F295 PolarHBondContact O-N 3.01Å; S6-F295 VanDerWaalsContact O-N 3.13Å; S6-F295 WeakPolarHBondContact OG-CB 3.46Å; S6-F295 PolarHBondContact OG-O 3.5Å; W22-F295 HydrophobicContact CH2-CD1 4.02Å; W22-F295 HydrophobicContact CH2-CE1 4.11Å; W22-F295 HydrophobicContact CZ2-CD1 4.11Å; W22-F295 HydrophobicContact CZ2-CE1 4.34Å; L28-F295 HydrophobicContact CB-CE1 4.09Å; L28-F295 HydrophobicContact CD2-CD1 4.34Å; L28-F295 HydrophobicContact CD2-CE1 3.33Å; L28-F295 HydrophobicContact CD2-CZ 3.56Å; L28-F295 HydrophobicContact CG-CE1 4.26Å; W40-F295 HydrophobicContact CB-CZ 3.87Å; W40-F295 HydrophobicContact CD2-CE2 4.17Å; W40-F295 AromaticContact CD2-CZ 3.85Å; W40-F295 HydrophobicContact CD2-CZ 3.85Å; W40-F295 AromaticContact CE3-CE2 3.73Å; W40-F295 HydrophobicContact CE3-CE2 3.73Å; W40-F295 AromaticContact CE3-CZ 3.85Å; W40-F295 HydrophobicContact CE3-CZ 3.85Å; W40-F295 AromaticContact CG-CZ 3.85Å; W40-F295 HydrophobicContact CG-CZ 3.85Å; W40-F295 HydrophobicContact CZ3-CE2 4.18Å; L42-F295 HydrophobicContact CD1-CD1 4.31Å; L42-F295 HydrophobicContact CD1-CE1 3.76Å; L42-F295 HydrophobicContact CD1-CZ 4.38Å; L42-F295 HydrophobicContact CD2-CD1 3.69Å; L42-F295 HydrophobicContact CD2-CE1 4Å; L42-F295 HydrophobicContact CD2-CG 4.28Å; L42-F295 HydrophobicContact CG-CD1 4.36Å; L42-F295 HydrophobicContact CG-CE1 4.19Å; L284-F295 CarbonylContact O-C 3.59Å; L284-F295 WeakPolarHBondContact O-CA 3.25Å; A285-F295 HydrophobicContact CB-CD1 4.32Å; A285-F295 HydrophobicContact CB-CE1 4.42Å; V293-F295 HydrophobicContact CB-CE2 4.24Å; V293-F295 HydrophobicContact CG1-CD2 4.37Å; V293-F295 HydrophobicContact CG1-CE1 4.37Å; V293-F295 HydrophobicContact CG1-CE2 3.79Å; V293-F295 HydrophobicContact CG1-CZ 3.81Å
296A94.1Very high93.6Very high4 Ų430.8 Ų30.83%0.03315%0.15CC..EExtended strand (participates in β ladder)trans-138.2148.9174.500000109.9L3 K4 T5 L252 Q283 L284L3-A296 HydrophobicContact CB-CB 4.17Å; L3-A296 HydrophobicContact CD1-CB 4.5Å; L3-A296 HydrophobicContact CD2-CB 3.93Å; L3-A296 HydrophobicContact CG-CB 4.4Å; K4-A296 WeakPolarHBondContact O-CA 3.39Å; T5-A296 HydrophobicContact CG2-CB 4.14Å; L252-A296 HydrophobicContact CD2-CB 4.21Å; Q283-A296 CarbonylContact C-O 3.59Å; Q283-A296 WeakPolarHBondContact CA-O 3.23Å; L284-A296 HydrophobicContact CB-CB 4.38Å; L284-A296 PolarHBondContact N-O 3.23Å; L284-A296 PolarHBondContact O-N 3.25Å
297H92.6Very high93.3Very high35 Ų3532.2 Ų32.216%0.16216%0.158CC..EExtended strand (participates in β ladder)trans-130146.4172.860.1-74.3000110.4K4 T282 Q283 V299K4-H297 VanDerWaalsContact CB-CE1 3.45Å; K4-H297 WeakPolarHBondContact CB-CE1 3.32Å; K4-H297 VanDerWaalsContact CG-CE1 3.44Å; K4-H297 WeakPolarHBondContact CG-CE1 3.21Å; K4-H297 PolarHBondContact N-O 3.09Å; K4-H297 PolarHBondContact O-N 3.4Å; K4-H297 VanDerWaalsContact O-N 3.17Å; K4-H297 PolarHBondContact O-ND1 3.27Å; T282-H297 WeakPolarHBondContact O-CA 3.46Å; Q283-H297 HydrophobicContact CG-CB 4.07Å; H297-V299 WeakPolarHBondContact CD2-CG1 3.31Å; H297-V299 WeakPolarHBondContact NE2-CG1 3.39Å; H297-V299 PolarHBondContact O-N 3.49Å
298V93.5Very high93.2Very high12 Ų1233.2 Ų33.27%0.07316%0.163CC..EExtended strand (participates in β ladder)trans-75.9122.8179-174.80000108.8M1 L3 L254 W277 T282 Q301M1-V298 HydrophobicContact CB-CG1 4.46Å; M1-V298 HydrophobicContact SD-CG1 4.18Å; L3-V298 HydrophobicContact CD2-CG2 4.16Å; L254-V298 HydrophobicContact CD2-CG1 4.41Å; W277-V298 HydrophobicContact CH2-CG2 4.02Å; W277-V298 HydrophobicContact CZ3-CG2 3.81Å; T282-V298 PolarHBondContact O-N 3.02Å; V298-Q301 HydrophobicContact CG1-CG 3.98Å
299V93.1Very high93.1Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-131.4175175.4-60.70000110.3M1 R2 K4 H297 Q301M1-V299 CarbonylContact C-O 3.57Å; M1-V299 WeakPolarHBondContact CA-O 3.46Å; R2-V299 HydrophobicContact CG-CG2 3.55Å; R2-V299 PolarHBondContact N-O 3.17Å; R2-V299 PolarHBondContact O-N 3.11Å; K4-V299 HydrophobicContact CB-CG1 4.28Å; K4-V299 HydrophobicContact CB-CG2 3.87Å; H297-V299 WeakPolarHBondContact CD2-CG1 3.31Å; H297-V299 WeakPolarHBondContact NE2-CG1 3.39Å; H297-V299 PolarHBondContact O-N 3.49Å; V299-Q301 PolarHBondContact O-N 3.11Å
300E91.9Very high93.2Very high71 Ų7132.8 Ų32.833%0.33216%0.155SC..  trans55.836.7-177.9-64.6171.2-168.900111.9M1 R2 L312M1-E300 WeakPolarHBondContact CA-O 3.38Å; M1-E300 PolarHBondContact N-O 3.05Å; R2-E300 WeakPolarHBondContact CD-OE2 3.28Å; R2-E300 HydrophobicContact CG-CB 4.48Å; R2-E300 HydrophobicContact CG-CG 4.46Å; R2-E300 WeakPolarHBondContact CG-OE2 3.24Å; R2-E300 IonicContact CZ-OE1 3.7Å; R2-E300 IonicContact NE-OE1 3.25Å; R2-E300 PolarHBondContact NE-OE1 3.07Å; R2-E300 IonicContact NE-OE2 3.14Å; R2-E300 PolarHBondContact NE-OE2 3.24Å; R2-E300 IonicContact NH2-OE1 3.73Å; R2-E300 PolarHBondContact NH2-OE1 3.09Å; E300-L312 VanDerWaalsContact CA-O 3.3Å; E300-L312 WeakPolarHBondContact CA-O 3.37Å; E300-L312 PolarHBondContact N-O 2.79Å
301Q91.4Very high93.3Very high38 Ų3831.3 Ų31.318%0.17815%0.148CC..  trans-66.5139.7161.3-57.9-164.2-39.800108.6M1 V298 V299 W303 T311 L312M1-Q301 HydrophobicContact CE-CB 3.8Å; M1-Q301 HydrophobicContact CE-CG 3.55Å; M1-Q301 HydrophobicContact CG-CB 4.29Å; M1-Q301 HydrophobicContact CG-CG 3.9Å; M1-Q301 HydrophobicContact SD-CG 3.81Å; V298-Q301 HydrophobicContact CG1-CG 3.98Å; V299-Q301 PolarHBondContact O-N 3.11Å; Q301-W303 HydrophobicContact CB-CH2 3.33Å; Q301-W303 HydrophobicContact CB-CZ2 3.87Å; Q301-W303 HydrophobicContact CB-CZ3 3.72Å; Q301-W303 HydrophobicContact CG-CH2 4.34Å; Q301-W303 WeakPolarHBondContact O-CZ3 3.4Å; Q301-T311 CarbonylContact O-C 3.55Å; Q301-T311 VanDerWaalsContact O-CA 3.29Å; Q301-T311 WeakPolarHBondContact O-CA 3.43Å; Q301-L312 HydrophobicContact CB-CB 4.07Å; Q301-L312 HydrophobicContact CB-CD2 4.41Å; Q301-L312 HydrophobicContact CG-CD2 4.23Å; Q301-L312 PolarHBondContact O-N 2.93Å
302H91.4Very high93.5Very high78 Ų7831.5 Ų31.536%0.36115%0.149SC..EExtended strand (participates in β ladder)trans-132.6131.2-167.8-17577.2000110.3E304 S309 I310 T311H302-E304 IonicContact CD2-OE1 3.38Å; H302-E304 WeakPolarHBondContact NE2-CG 3.33Å; H302-E304 IonicContact NE2-OE1 2.75Å; H302-E304 PolarHBondContact NE2-OE1 3.27Å; H302-E304 VanDerWaalsContact NE2-OE1 3.08Å; H302-S309 PolarHBondContact CE1-OG 3.4Å; H302-I310 CarbonylContact C-O 3.5Å; H302-I310 WeakPolarHBondContact CA-O 3.46Å; H302-T311 PolarHBondContact ND1-OG1 3.45Å; H302-T311 VanDerWaalsContact ND1-OG1 3.16Å
303W92.9Very high93.4Very high45 Ų4532.7 Ų32.717%0.1716%0.158CC..EExtended strand (participates in β ladder)trans-128.9133.2178-59-93.8000109.8Q301 S309 I310 L312 M318 A340 L342Q301-W303 HydrophobicContact CB-CH2 3.33Å; Q301-W303 HydrophobicContact CB-CZ2 3.87Å; Q301-W303 HydrophobicContact CB-CZ3 3.72Å; Q301-W303 HydrophobicContact CG-CH2 4.34Å; Q301-W303 WeakPolarHBondContact O-CZ3 3.4Å; W303-S309 CarbonylContact O-C 3.59Å; W303-S309 WeakPolarHBondContact O-CA 3.5Å; W303-I310 HydrophobicContact CE3-CB 4.46Å; W303-I310 HydrophobicContact CE3-CG2 4.24Å; W303-I310 PolarHBondContact N-O 2.89Å; W303-I310 PolarHBondContact O-N 3.36Å; W303-L312 HydrophobicContact CH2-CB 4.09Å; W303-L312 HydrophobicContact CZ3-CB 3.87Å; W303-M318 HydrophobicContact CE3-CE 3.72Å; W303-M318 HydrophobicContact CH2-CE 3.51Å; W303-M318 HydrophobicContact CZ2-CE 4.42Å; W303-M318 HydrophobicContact CZ3-CE 3.1Å; W303-A340 HydrophobicContact CH2-CB 4.07Å; W303-A340 HydrophobicContact CZ2-CB 3.72Å; W303-A340 PolarHBondContact NE1-O 3.21Å; W303-L342 HydrophobicContact CB-CB 4.19Å
304E91.1Very high93.2Very high75 Ų7538 Ų3835%0.3518%0.18SC..EExtended strand (participates in β ladder)trans-121.3134.7177.7-61.2-174160.100109.9H302 F308 K570 Y582H302-E304 IonicContact CD2-OE1 3.38Å; H302-E304 WeakPolarHBondContact NE2-CG 3.33Å; H302-E304 IonicContact NE2-OE1 2.75Å; H302-E304 PolarHBondContact NE2-OE1 3.27Å; H302-E304 VanDerWaalsContact NE2-OE1 3.08Å; E304-F308 WeakPolarHBondContact CA-O 3.37Å; E304-K570 IonicContact OE2-NZ 2.66Å; E304-Y582 PolarHBondContact OE1-OH 3.14Å; E304-Y582 PolarHBondContact OE2-OH 2.8Å
305W92.1Very high93Very high16 Ų1642.8 Ų42.86%0.06120%0.199CC..EExtended strand (participates in β ladder)trans-148.7119.9168.2-174.479.2000110.1N307 F308 L342 D345W305-N307 PolarHBondContact O-N 2.94Å; W305-N307 VanDerWaalsContact O-N 3.09Å; W305-F308 HydrophobicContact CE3-CD2 4.5Å; W305-F308 PolarHBondContact N-O 3.04Å; W305-F308 PolarHBondContact O-N 2.96Å; W305-L342 HydrophobicContact CB-CB 4.45Å; W305-L342 HydrophobicContact CB-CD2 3.53Å; W305-L342 HydrophobicContact CB-CG 3.56Å; W305-L342 HydrophobicContact CG-CG 4.41Å; W305-D345 HydrophobicContact CH2-CB 4.07Å; W305-D345 WeakPolarHBondContact CH2-OD1 3.43Å; W305-D345 HydrophobicContact CZ3-CB 4.33Å; W305-D345 WeakPolarHBondContact CZ3-OD1 3.46Å
306K90.4Very high92.9Very high127 Ų12745.9 Ų45.955%0.55221%0.21SC*.THydrogen-bonded Turntrans50-113-172.4-62-177.9-179.4169.70111.2V567K306-V567 HydrophobicContact CG-CG1 4.01Å
307N91.5Very high92.9Very high31 Ų3146.7 Ų46.717%0.16621%0.214CC..THydrogen-bonded Turntrans-93.6-3.1-17958.9-62.6000113.8W305 N322 V323 Q324W305-N307 PolarHBondContact O-N 2.94Å; W305-N307 VanDerWaalsContact O-N 3.09Å; N307-N322 PolarHBondContact ND2-ND2 3.42Å; N307-N322 PolarHBondContact ND2-OD1 2.89Å; N307-V323 WeakPolarHBondContact O-CB 3.19Å; N307-V323 WeakPolarHBondContact O-CG2 3.24Å; N307-V323 PolarHBondContact O-N 3.39Å; N307-Q324 HydrophobicContact CB-CG 3.74Å
308F94.3Very high93.1Very high21 Ų2145 Ų459%0.09221%0.206CC..EExtended strand (participates in β ladder)trans-98.7133.3179.9-64.5-76.8000111.2E304 W305 V320 R321 N322 L342 W363E304-F308 WeakPolarHBondContact CA-O 3.37Å; W305-F308 HydrophobicContact CE3-CD2 4.5Å; W305-F308 PolarHBondContact N-O 3.04Å; W305-F308 PolarHBondContact O-N 2.96Å; F308-V320 HydrophobicContact CD1-CG1 4.13Å; F308-R321 WeakPolarHBondContact CA-O 3.5Å; F308-N322 HydrophobicContact CD1-CB 4.06Å; F308-N322 HydrophobicContact CE1-CB 3.9Å; F308-L342 HydrophobicContact CB-CD2 4.27Å; F308-W363 AromaticContact CD1-CZ2 3.85Å; F308-W363 HydrophobicContact CD1-CZ2 3.85Å; F308-W363 AromaticContact CE1-CZ2 3.89Å; F308-W363 HydrophobicContact CE1-CZ2 3.89Å; F308-W363 AromaticContact CE1-NE1 3.88Å; F308-W363 HydrophobicContact CG-CZ2 4.24Å; F308-W363 HydrophobicContact CZ-CZ2 4.33Å
309S93.9Very high93.3Very high19 Ų1948 Ų4813%0.13322%0.219CC..EExtended strand (participates in β ladder)trans-123.4121.8172136.20000108.3H302 W303 R321H302-S309 PolarHBondContact CE1-OG 3.4Å; W303-S309 CarbonylContact O-C 3.59Å; W303-S309 WeakPolarHBondContact O-CA 3.5Å; S309-R321 PolarHBondContact N-O 3.13Å; S309-R321 PolarHBondContact O-N 2.97Å
310I95.8Very high93.4Very high0 Ų048 Ų480%022%0.22CC..EExtended strand (participates in β ladder)trans-114.8132.1-178.2-57.3-176000109.4H302 W303 M318 Q319 V320 L342 L347 W363H302-I310 CarbonylContact C-O 3.5Å; H302-I310 WeakPolarHBondContact CA-O 3.46Å; W303-I310 HydrophobicContact CE3-CB 4.46Å; W303-I310 HydrophobicContact CE3-CG2 4.24Å; W303-I310 PolarHBondContact N-O 2.89Å; W303-I310 PolarHBondContact O-N 3.36Å; I310-M318 HydrophobicContact CG2-CB 4.22Å; I310-M318 HydrophobicContact CG2-CE 3.96Å; I310-Q319 CarbonylContact C-O 3.56Å; I310-Q319 VanDerWaalsContact CA-O 3.3Å; I310-Q319 WeakPolarHBondContact CA-O 3.26Å; I310-V320 HydrophobicContact CD1-CG1 4.41Å; I310-V320 HydrophobicContact CD1-CG2 4Å; I310-V320 HydrophobicContact CG1-CB 4.33Å; I310-V320 HydrophobicContact CG1-CG1 4.1Å; I310-V320 HydrophobicContact CG1-CG2 4Å; I310-V320 HydrophobicContact CG2-CG2 4.43Å; I310-L342 HydrophobicContact CD1-CD1 3.86Å; I310-L342 HydrophobicContact CD1-CD2 3.82Å; I310-L342 HydrophobicContact CD1-CG 4.32Å; I310-L342 HydrophobicContact CG1-CD2 4.06Å; I310-L347 HydrophobicContact CD1-CB 4.4Å; I310-L347 HydrophobicContact CD1-CD1 3.74Å; I310-L347 HydrophobicContact CD1-CD2 3.67Å; I310-L347 HydrophobicContact CD1-CG 4.11Å; I310-W363 HydrophobicContact CD1-CH2 4.21Å; I310-W363 HydrophobicContact CD1-CZ3 4.44Å
311T95.9Very high93.6Very high35 Ų3550.2 Ų50.222%0.21523%0.225CC..EExtended strand (participates in β ladder)trans-126.6127.3178.6-56.10000111.3Q301 H302 T313 M318 Q319Q301-T311 CarbonylContact O-C 3.55Å; Q301-T311 VanDerWaalsContact O-CA 3.29Å; Q301-T311 WeakPolarHBondContact O-CA 3.43Å; H302-T311 PolarHBondContact ND1-OG1 3.45Å; H302-T311 VanDerWaalsContact ND1-OG1 3.16Å; T311-T313 PolarHBondContact O-N 3.12Å; T311-T313 VanDerWaalsContact O-N 3.13Å; T311-M318 CarbonylContact O-C 3.5Å; T311-M318 WeakPolarHBondContact O-CA 3.22Å; T311-Q319 PolarHBondContact N-O 2.84Å; T311-Q319 PolarHBondContact O-N 3.09Å
312L95.8Very high93.7Very high4 Ų449.5 Ų49.52%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-76.692.7172.4-177.369.6000109.7E300 Q301 W303 K314 M318 V337E300-L312 VanDerWaalsContact CA-O 3.3Å; E300-L312 WeakPolarHBondContact CA-O 3.37Å; E300-L312 PolarHBondContact N-O 2.79Å; Q301-L312 HydrophobicContact CB-CB 4.07Å; Q301-L312 HydrophobicContact CB-CD2 4.41Å; Q301-L312 HydrophobicContact CG-CD2 4.23Å; Q301-L312 PolarHBondContact O-N 2.93Å; W303-L312 HydrophobicContact CH2-CB 4.09Å; W303-L312 HydrophobicContact CZ3-CB 3.87Å; L312-K314 WeakPolarHBondContact CD1-O 3.12Å; L312-K314 WeakPolarHBondContact CG-O 3.42Å; L312-M318 HydrophobicContact CB-CE 4.47Å; L312-M318 HydrophobicContact CB-CG 4.38Å; L312-M318 HydrophobicContact CD1-CE 4.44Å; L312-M318 HydrophobicContact CD1-CG 3.52Å; L312-M318 HydrophobicContact CD1-SD 4.42Å; L312-V337 HydrophobicContact CD1-CB 3.9Å; L312-V337 HydrophobicContact CD1-CG1 4.13Å; L312-V337 HydrophobicContact CD1-CG2 3.98Å
313T93.3Very high93.7Very high45 Ų4549.8 Ų49.828%0.27623%0.229SC..EExtended strand (participates in β ladder)trans-75.3-33-175.458.50000112.6T311 T317 Q319T311-T313 PolarHBondContact O-N 3.12Å; T311-T313 VanDerWaalsContact O-N 3.13Å; T313-T317 PolarHBondContact N-O 3.09Å; T313-T317 PolarHBondContact OG1-O 3.37Å; T313-Q319 HydrophobicContact CG2-CB 3.95Å
314K91.6Very high93.6Very high116 Ų11655.2 Ų55.250%0.50426%0.257SS..EExtended strand (participates in β ladder)trans-141.8168.2177.8-60.1176.8-174.31680109.7L312 R316 T317L312-K314 WeakPolarHBondContact CD1-O 3.12Å; L312-K314 WeakPolarHBondContact CG-O 3.42Å; K314-R316 PolarHBondContact O-N 3.45Å; K314-T317 PolarHBondContact N-O 3.2Å; K314-T317 PolarHBondContact O-N 3.29Å; K314-T317 VanDerWaalsContact O-N 3.13Å
315R90.2Very high93.7Very high104 Ų10456.7 Ų56.739%0.39227%0.267SS..THydrogen-bonded Turntrans-50.7-20.3176.459.5167.3-171.4-172.22.3116.4R336 V337R315-R336 HydrophobicContact CB-CG 4.32Å; R315-R336 WeakPolarHBondContact O-CA 3.46Å; R315-V337 PolarHBondContact O-N 3.2Å
316R93.6Very high93.7Very high88 Ų8860.6 Ų60.633%0.33229%0.289SS..THydrogen-bonded Turntrans-135.613.1-177.9-61-174.6-158.3178.86.6113.3K314 F333 R334K314-R316 PolarHBondContact O-N 3.45Å; R316-F333 WeakPolarHBondContact O-CD2 3.48Å; R316-F333 PolarHBondContact O-N 2.64Å; R316-R334 WeakPolarHBondContact CD-O 3.42Å; R316-R334 PolarHBondContact NH1-O 3.18Å
317T95.6Very high93.8Very high20 Ų2056.3 Ų56.312%0.12328%0.277CS..EExtended strand (participates in β ladder)trans-136.9124.4-173.8-47.20000109.5T313 K314 V330 L331 E332T313-T317 PolarHBondContact N-O 3.09Å; T313-T317 PolarHBondContact OG1-O 3.37Å; K314-T317 PolarHBondContact N-O 3.2Å; K314-T317 PolarHBondContact O-N 3.29Å; K314-T317 VanDerWaalsContact O-N 3.13Å; T317-V330 HydrophobicContact CG2-CG1 3.53Å; T317-L331 WeakPolarHBondContact CA-O 3.38Å; T317-E332 HydrophobicContact CG2-CG 4.4Å
318M96.4Very high93.9Very high0 Ų058.3 Ų58.30%029%0.29CS..EExtended strand (participates in β ladder)trans-115.9145.3172.7-66.5174.5110.600109.6W303 I310 T311 L312 V330 L331 F333 A340 V349W303-M318 HydrophobicContact CE3-CE 3.72Å; W303-M318 HydrophobicContact CH2-CE 3.51Å; W303-M318 HydrophobicContact CZ2-CE 4.42Å; W303-M318 HydrophobicContact CZ3-CE 3.1Å; I310-M318 HydrophobicContact CG2-CB 4.22Å; I310-M318 HydrophobicContact CG2-CE 3.96Å; T311-M318 CarbonylContact O-C 3.5Å; T311-M318 WeakPolarHBondContact O-CA 3.22Å; L312-M318 HydrophobicContact CB-CE 4.47Å; L312-M318 HydrophobicContact CB-CG 4.38Å; L312-M318 HydrophobicContact CD1-CE 4.44Å; L312-M318 HydrophobicContact CD1-CG 3.52Å; L312-M318 HydrophobicContact CD1-SD 4.42Å; M318-V330 WeakPolarHBondContact O-CA 3.15Å; M318-L331 HydrophobicContact CB-CB 4.32Å; M318-L331 PolarHBondContact N-O 2.79Å; M318-L331 PolarHBondContact O-N 3.38Å; M318-F333 HydrophobicContact CB-CE2 4.02Å; M318-F333 HydrophobicContact CG-CE2 3.68Å; M318-F333 HydrophobicContact CG-CZ 4.4Å; M318-F333 HydrophobicContact SD-CE2 3.59Å; M318-F333 VanDerWaalsContact SD-CE2 3.59Å; M318-F333 HydrophobicContact SD-CZ 3.79Å; M318-A340 HydrophobicContact CE-CB 3.77Å; M318-V349 HydrophobicContact SD-CG1 4.13Å; M318-V349 HydrophobicContact SD-CG2 3.99Å
319Q96.4Very high93.9Very high74 Ų7460.1 Ų60.135%0.34630%0.301SS..EExtended strand (participates in β ladder)trans-111.6122.6174.4-174.7179.714.200108.1I310 T311 T313 V328 D329I310-Q319 CarbonylContact C-O 3.56Å; I310-Q319 VanDerWaalsContact CA-O 3.3Å; I310-Q319 WeakPolarHBondContact CA-O 3.26Å; T311-Q319 PolarHBondContact N-O 2.84Å; T311-Q319 PolarHBondContact O-N 3.09Å; T313-Q319 HydrophobicContact CG2-CB 3.95Å; Q319-V328 HydrophobicContact CG-CG1 3.66Å; Q319-D329 CarbonylContact C-O 3.49Å; Q319-D329 WeakPolarHBondContact CA-O 3.18Å
320V96.2Very high94Very high1 Ų163.4 Ų63.41%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-98.6124.1173.8-177.50000107.6F308 I310 V328 D329 L331 W363F308-V320 HydrophobicContact CD1-CG1 4.13Å; I310-V320 HydrophobicContact CD1-CG1 4.41Å; I310-V320 HydrophobicContact CD1-CG2 4Å; I310-V320 HydrophobicContact CG1-CB 4.33Å; I310-V320 HydrophobicContact CG1-CG1 4.1Å; I310-V320 HydrophobicContact CG1-CG2 4Å; I310-V320 HydrophobicContact CG2-CG2 4.43Å; V320-V328 CarbonylContact O-C 3.59Å; V320-V328 VanDerWaalsContact O-CA 3.3Å; V320-V328 WeakPolarHBondContact O-CA 3.43Å; V320-D329 HydrophobicContact CB-CB 4.28Å; V320-D329 PolarHBondContact N-O 3.24Å; V320-D329 PolarHBondContact O-N 2.88Å; V320-L331 HydrophobicContact CG2-CD1 3.66Å; V320-L331 HydrophobicContact CG2-CD2 4.47Å; V320-L331 HydrophobicContact CG2-CG 3.89Å; V320-W363 HydrophobicContact CG1-CD2 4.3Å; V320-W363 HydrophobicContact CG1-CH2 4.3Å; V320-W363 HydrophobicContact CG1-CZ2 3.77Å; V320-W363 HydrophobicContact CG2-CD2 4.45Å; V320-W363 HydrophobicContact CG2-CE3 4.36Å
321R95.4Very high94.1Very high117 Ų11763.9 Ų63.944%0.44232%0.323SS..EExtended strand (participates in β ladder)trans-116.2124.5173.8-176.7178.3179-177.50.4109.3F308 S309 D326 A327 V328F308-R321 WeakPolarHBondContact CA-O 3.5Å; S309-R321 PolarHBondContact N-O 3.13Å; S309-R321 PolarHBondContact O-N 2.97Å; R321-D326 IonicContact CZ-OD1 3.59Å; R321-D326 IonicContact NE-OD1 2.74Å; R321-D326 PolarHBondContact NE-OD1 3.25Å; R321-D326 IonicContact NH2-OD1 3.27Å; R321-D326 PolarHBondContact NH2-OD1 3.12Å; R321-A327 CarbonylContact C-O 3.58Å; R321-A327 WeakPolarHBondContact CA-O 3.37Å; R321-V328 HydrophobicContact CG-CG2 4.28Å
322N93.8Very high94Very high23 Ų2369.3 Ų69.312%0.12335%0.346CS..EExtended strand (participates in β ladder)trans-89.9112.8167.2-178-9.5000108.9N307 F308 Q324 N325 D326 A327N307-N322 PolarHBondContact ND2-ND2 3.42Å; N307-N322 PolarHBondContact ND2-OD1 2.89Å; F308-N322 HydrophobicContact CD1-CB 4.06Å; F308-N322 HydrophobicContact CE1-CB 3.9Å; N322-Q324 PolarHBondContact O-N 2.81Å; N322-Q324 PolarHBondContact OD1-N 3.36Å; N322-N325 VanDerWaalsContact CB-OD1 3.24Å; N322-N325 WeakPolarHBondContact CB-OD1 3.22Å; N322-N325 PolarHBondContact ND2-OD1 3Å; N322-N325 PolarHBondContact O-OD1 3.15Å; N322-D326 WeakPolarHBondContact O-CA 3.22Å; N322-D326 PolarHBondContact O-N 3.43Å; N322-A327 HydrophobicContact CB-CB 4.39Å; N322-A327 PolarHBondContact N-O 2.81Å
323V91.6Very high94Very high85 Ų8569.7 Ų69.752%0.51535%0.347SS..THydrogen-bonded Turntrans-70.6-19.8-174.6-177.10000112.2N307N307-V323 WeakPolarHBondContact O-CB 3.19Å; N307-V323 WeakPolarHBondContact O-CG2 3.24Å; N307-V323 PolarHBondContact O-N 3.39Å
324Q91.6Very high93.9Very high159 Ų15976 Ų7674%0.74337%0.366SS*.THydrogen-bonded Turntrans-75.9-32.8-179.5-77.9177.5-13.500113.7N307 N322N307-Q324 HydrophobicContact CB-CG 3.74Å; N322-Q324 PolarHBondContact O-N 2.81Å; N322-Q324 PolarHBondContact OD1-N 3.36Å
325N92.9Very high93.8Very high105 Ų10571.8 Ų71.856%0.56135%0.349SS*.THydrogen-bonded Turntrans-127.66.1-175.866.4-2.1000113.2N322 A327N322-N325 VanDerWaalsContact CB-OD1 3.24Å; N322-N325 WeakPolarHBondContact CB-OD1 3.22Å; N322-N325 PolarHBondContact ND2-OD1 3Å; N322-N325 PolarHBondContact O-OD1 3.15Å; N325-A327 PolarHBondContact O-N 3.27Å; N325-A327 VanDerWaalsContact O-N 3.08Å; N325-A327 WeakPolarHBondContact OD1-CB 3.36Å; N325-A327 PolarHBondContact OD1-N 3.2Å
326D91.3Very high93.8Very high99 Ų9967.7 Ų67.753%0.52933%0.333SS..THydrogen-bonded Turntrans54.221-175.1-76.8-44000115R321 N322R321-D326 IonicContact CZ-OD1 3.59Å; R321-D326 IonicContact NE-OD1 2.74Å; R321-D326 PolarHBondContact NE-OD1 3.25Å; R321-D326 IonicContact NH2-OD1 3.27Å; R321-D326 PolarHBondContact NH2-OD1 3.12Å; N322-D326 WeakPolarHBondContact O-CA 3.22Å; N322-D326 PolarHBondContact O-N 3.43Å
327A92.3Very high93.9Very high37 Ų3763.8 Ų63.831%0.30632%0.319SS..EExtended strand (participates in β ladder)trans-65.7138173.400000110.3R321 N322 N325R321-A327 CarbonylContact C-O 3.58Å; R321-A327 WeakPolarHBondContact CA-O 3.37Å; N322-A327 HydrophobicContact CB-CB 4.39Å; N322-A327 PolarHBondContact N-O 2.81Å; N325-A327 PolarHBondContact O-N 3.27Å; N325-A327 VanDerWaalsContact O-N 3.08Å; N325-A327 WeakPolarHBondContact OD1-CB 3.36Å; N325-A327 PolarHBondContact OD1-N 3.2Å
328V94.7Very high93.7Very high72 Ų7263.2 Ų63.244%0.43632%0.315SS..EExtended strand (participates in β ladder)trans-126.6117.3-178.9174.70000109.1Q319 V320 R321Q319-V328 HydrophobicContact CG-CG1 3.66Å; V320-V328 CarbonylContact O-C 3.59Å; V320-V328 VanDerWaalsContact O-CA 3.3Å; V320-V328 WeakPolarHBondContact O-CA 3.43Å; R321-V328 HydrophobicContact CG-CG2 4.28Å
329D94.7Very high93.6Very high59 Ų5965.4 Ų65.432%0.31633%0.325SS..EExtended strand (participates in β ladder)trans-109.2147173-63.2-66.9000109.9Q319 V320Q319-D329 CarbonylContact C-O 3.49Å; Q319-D329 WeakPolarHBondContact CA-O 3.18Å; V320-D329 HydrophobicContact CB-CB 4.28Å; V320-D329 PolarHBondContact N-O 3.24Å; V320-D329 PolarHBondContact O-N 2.88Å
330V96.1Very high93.5Very high89 Ų8962.4 Ų62.454%0.53931%0.312SS..EExtended strand (participates in β ladder)trans-117.1120.1178.3-179.10000108.9T317 M318 E332T317-V330 HydrophobicContact CG2-CG1 3.53Å; M318-V330 WeakPolarHBondContact O-CA 3.15Å; V330-E332 HydrophobicContact CG1-CG 4.39Å
331L96Very high93.5Very high9 Ų963.4 Ų63.45%0.04732%0.32CS..EExtended strand (participates in β ladder)trans-98.5122.8176.8-48.9-179.1000108.9T317 M318 V320 F333 L347 Y358 W363T317-L331 WeakPolarHBondContact CA-O 3.38Å; M318-L331 HydrophobicContact CB-CB 4.32Å; M318-L331 PolarHBondContact N-O 2.79Å; M318-L331 PolarHBondContact O-N 3.38Å; V320-L331 HydrophobicContact CG2-CD1 3.66Å; V320-L331 HydrophobicContact CG2-CD2 4.47Å; V320-L331 HydrophobicContact CG2-CG 3.89Å; L331-F333 HydrophobicContact CB-CE2 3.99Å; L331-F333 HydrophobicContact CB-CZ 3.86Å; L331-F333 HydrophobicContact CD1-CZ 4.37Å; L331-L347 HydrophobicContact CD1-CD2 3.61Å; L331-Y358 HydrophobicContact CD1-CD1 4.46Å; L331-Y358 HydrophobicContact CD1-CD2 4.38Å; L331-Y358 HydrophobicContact CD1-CE1 4.18Å; L331-Y358 HydrophobicContact CD1-CE2 4.1Å; L331-Y358 HydrophobicContact CD2-CD1 4.35Å; L331-Y358 HydrophobicContact CD2-CE1 3.83Å; L331-W363 HydrophobicContact CD1-CE3 4.46Å; L331-W363 HydrophobicContact CD2-CB 4.14Å
332E95.1Very high93.5Very high150 Ų15058.6 Ų58.670%0.70130%0.303SS*.EExtended strand (participates in β ladder)trans-109.8133.8175.2-65.1-165156.700110.9T317 V330T317-E332 HydrophobicContact CG2-CG 4.4Å; V330-E332 HydrophobicContact CG1-CG 4.39Å
333F94.6Very high93.5Very high12 Ų1258.3 Ų58.35%0.05330%0.304CS..  trans-111.9145.5-177.9-57-79.3000110.6R316 M318 L331 D335 V337 V349 T351 Y356 Y358R316-F333 WeakPolarHBondContact O-CD2 3.48Å; R316-F333 PolarHBondContact O-N 2.64Å; M318-F333 HydrophobicContact CB-CE2 4.02Å; M318-F333 HydrophobicContact CG-CE2 3.68Å; M318-F333 HydrophobicContact CG-CZ 4.4Å; M318-F333 HydrophobicContact SD-CE2 3.59Å; M318-F333 VanDerWaalsContact SD-CE2 3.59Å; M318-F333 HydrophobicContact SD-CZ 3.79Å; L331-F333 HydrophobicContact CB-CE2 3.99Å; L331-F333 HydrophobicContact CB-CZ 3.86Å; L331-F333 HydrophobicContact CD1-CZ 4.37Å; F333-D335 VanDerWaalsContact C-N 3.3Å; F333-D335 WeakPolarHBondContact CB-O 3.47Å; F333-D335 PolarHBondContact O-N 2.9Å; F333-V337 HydrophobicContact CB-CG2 4.42Å; F333-V337 HydrophobicContact CD2-CG2 3.43Å; F333-V337 VanDerWaalsContact CD2-CG2 3.43Å; F333-V337 HydrophobicContact CE2-CG2 3.84Å; F333-V337 HydrophobicContact CG-CG2 3.93Å; F333-V349 HydrophobicContact CD1-CG1 4.48Å; F333-V349 HydrophobicContact CE1-CB 4.06Å; F333-V349 HydrophobicContact CE1-CG1 3.92Å; F333-V349 HydrophobicContact CE1-CG2 4.22Å; F333-V349 HydrophobicContact CE2-CG1 4.43Å; F333-V349 HydrophobicContact CZ-CB 4.2Å; F333-V349 HydrophobicContact CZ-CG1 3.9Å; F333-V349 HydrophobicContact CZ-CG2 3.97Å; F333-T351 HydrophobicContact CB-CG2 4.23Å; F333-T351 HydrophobicContact CD1-CG2 4.22Å; F333-T351 HydrophobicContact CG-CG2 4.38Å; F333-Y356 HydrophobicContact CD1-CD1 4.08Å; F333-Y356 AromaticContact CD1-CD2 3.81Å; F333-Y356 HydrophobicContact CD1-CD2 3.81Å; F333-Y356 HydrophobicContact CD1-CE1 4.1Å; F333-Y356 AromaticContact CD1-CE2 3.83Å; F333-Y356 HydrophobicContact CD1-CE2 3.83Å; F333-Y356 AromaticContact CD1-CG 3.95Å; F333-Y356 HydrophobicContact CD1-CG 3.95Å; F333-Y356 AromaticContact CD1-CZ 3.98Å; F333-Y356 HydrophobicContact CE1-CD1 4.14Å; F333-Y356 HydrophobicContact CE1-CD2 4.13Å; F333-Y356 AromaticContact CE1-CG 3.91Å; F333-Y356 HydrophobicContact CE1-CG 3.91Å; F333-Y358 AromaticContact CE1-CE2 3.88Å; F333-Y358 HydrophobicContact CE1-CE2 3.88Å; F333-Y358 WeakPolarHBondContact CE1-OH 3.4Å; F333-Y358 HydrophobicContact CZ-CE2 4.2Å
334R91.7Very high93.6Very high178 Ų17856.3 Ų56.367%0.67229%0.288SS*.SBendtrans-61.8-44.5174.4-176.5-177.9-178.9178.6-0.5111R316R316-R334 WeakPolarHBondContact CD-O 3.42Å; R316-R334 PolarHBondContact NH1-O 3.18Å
335D90.2Very high93.7Very high27 Ų2751.2 Ų51.214%0.14427%0.266CS..SBendtrans-116.2167.9-171.6-61.3-57.2000111.9F333 V337F333-D335 VanDerWaalsContact C-N 3.3Å; F333-D335 WeakPolarHBondContact CB-O 3.47Å; F333-D335 PolarHBondContact O-N 2.9Å; D335-V337 PolarHBondContact O-N 2.91Å
336R90.7Very high93.9Very high18 Ų1847.7 Ų47.77%0.06825%0.246CC..  trans-64132.8-179177.717462.8-101.7-16110.3D26 D280 T282 R315 T351 S352D26-R336 IonicContact OD1-CZ 2.8Å; D26-R336 IonicContact OD1-NH1 3.29Å; D26-R336 PolarHBondContact OD1-NH1 3.24Å; D26-R336 IonicContact OD1-NH2 3.64Å; D280-R336 IonicContact OD2-CZ 2.78Å; D280-R336 IonicContact OD2-NE 3.03Å; D280-R336 PolarHBondContact OD2-NE 3.06Å; D280-R336 VanDerWaalsContact OD2-NE 3.14Å; D280-R336 IonicContact OD2-NH2 3.76Å; D280-R336 PolarHBondContact OD2-NH2 3.16Å; T282-R336 WeakPolarHBondContact OG1-CD 3.49Å; T282-R336 PolarHBondContact OG1-NE 3.48Å; R315-R336 HydrophobicContact CB-CG 4.32Å; R315-R336 WeakPolarHBondContact O-CA 3.46Å; R336-T351 CarbonylContact O-C 3.58Å; R336-T351 WeakPolarHBondContact O-CA 3.45Å; R336-T351 VanDerWaalsContact O-CB 3.26Å; R336-T351 WeakPolarHBondContact O-CB 3.35Å; R336-S352 PolarHBondContact O-N 2.81Å; R336-S352 VanDerWaalsContact O-N 3.1Å
337V93.9Very high94.2Very high6 Ų643 Ų434%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-71.5127.2171.8178.20000109.1L312 R315 F333 D335 V349L312-V337 HydrophobicContact CD1-CB 3.9Å; L312-V337 HydrophobicContact CD1-CG1 4.13Å; L312-V337 HydrophobicContact CD1-CG2 3.98Å; R315-V337 PolarHBondContact O-N 3.2Å; F333-V337 HydrophobicContact CB-CG2 4.42Å; F333-V337 HydrophobicContact CD2-CG2 3.43Å; F333-V337 VanDerWaalsContact CD2-CG2 3.43Å; F333-V337 HydrophobicContact CE2-CG2 3.84Å; F333-V337 HydrophobicContact CG-CG2 3.93Å; D335-V337 PolarHBondContact O-N 2.91Å; V337-V349 HydrophobicContact CB-CG1 4.4Å; V337-V349 HydrophobicContact CG1-CG1 3.67Å; V337-V349 HydrophobicContact CG2-CG1 3.99Å
338I92.5Very high94.4Very high8 Ų841.2 Ų41.24%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-103.9-52.3-179.4-63.6-177.4000110.7D280 T282 A350 S352 G374D280-I338 HydrophobicContact CB-CD1 3.94Å; D280-I338 HydrophobicContact CB-CG1 4.31Å; D280-I338 HydrophobicContact CB-CG2 4.04Å; T282-I338 HydrophobicContact CG2-CB 4.27Å; T282-I338 HydrophobicContact CG2-CG1 4.17Å; T282-I338 HydrophobicContact CG2-CG2 4.29Å; I338-A350 PolarHBondContact N-O 3.43Å; I338-S352 VanDerWaalsContact CD1-CA 3.41Å; I338-G374 WeakPolarHBondContact CD1-O 3.5Å
339K93.4Very high94.5Very high46 Ų4637.8 Ų37.820%0.219%0.185CC..EExtended strand (participates in β ladder)trans-142.6147.7-178.5-148.381.7176.4-160.60109.2D240 A350 V376 S377 I379D240-K339 IonicContact OD2-NZ 2.87Å; D240-K339 PolarHBondContact OD2-NZ 3.34Å; K339-A350 PolarHBondContact N-O 3.17Å; K339-A350 PolarHBondContact O-N 3.02Å; K339-V376 HydrophobicContact CB-CG1 4.44Å; K339-S377 VanDerWaalsContact CE-O 3.29Å; K339-S377 WeakPolarHBondContact CE-O 3.36Å; K339-S377 PolarHBondContact NZ-O 3.35Å; K339-S377 VanDerWaalsContact NZ-O 3.16Å; K339-I379 HydrophobicContact CB-CD1 3.93Å; K339-I379 HydrophobicContact CB-CG1 4.38Å; K339-I379 HydrophobicContact CG-CD1 4.3Å; K339-I379 HydrophobicContact CG-CG1 4.37Å
340A95.7Very high94.5Very high10 Ų1035 Ų358%0.08317%0.17CC..EExtended strand (participates in β ladder)trans-142.2153.6171.800000110.6W303 M318 L347 V348 V349W303-A340 HydrophobicContact CH2-CB 4.07Å; W303-A340 HydrophobicContact CZ2-CB 3.72Å; W303-A340 PolarHBondContact NE1-O 3.21Å; M318-A340 HydrophobicContact CE-CB 3.77Å; A340-L347 HydrophobicContact CB-CD1 4.48Å; A340-V348 CarbonylContact C-O 3.58Å; A340-V348 VanDerWaalsContact CA-O 3.23Å; A340-V348 WeakPolarHBondContact CA-O 3.48Å; A340-V349 HydrophobicContact CB-CG1 4.41Å; A340-V349 HydrophobicContact CB-CG2 4.25Å
341S96.2Very high94.5Very high23 Ų2330.7 Ų30.716%0.16115%0.145CC..EExtended strand (participates in β ladder)trans-141.1141.4173.11730000109.3L347 V348 Q381S341-L347 WeakPolarHBondContact O-CA 3.29Å; S341-V348 PolarHBondContact N-O 3.38Å; S341-V348 PolarHBondContact O-N 3.15Å; S341-Q381 VanDerWaalsContact CB-NE2 3.29Å; S341-Q381 PolarHBondContact O-NE2 3.38Å; S341-Q381 PolarHBondContact OG-NE2 2.87Å; S341-Q381 VanDerWaalsContact OG-NE2 3.11Å
342L95.8Very high94.1Very high15 Ų1531.4 Ų31.48%0.07915%0.15CC..EExtended strand (participates in β ladder)trans-126.6108.2178.4179.170.9000108.8W303 W305 F308 I310 H346 L347 W363W303-L342 HydrophobicContact CB-CB 4.19Å; W305-L342 HydrophobicContact CB-CB 4.45Å; W305-L342 HydrophobicContact CB-CD2 3.53Å; W305-L342 HydrophobicContact CB-CG 3.56Å; W305-L342 HydrophobicContact CG-CG 4.41Å; F308-L342 HydrophobicContact CB-CD2 4.27Å; I310-L342 HydrophobicContact CD1-CD1 3.86Å; I310-L342 HydrophobicContact CD1-CD2 3.82Å; I310-L342 HydrophobicContact CD1-CG 4.32Å; I310-L342 HydrophobicContact CG1-CD2 4.06Å; L342-H346 WeakPolarHBondContact CA-O 3.46Å; L342-L347 HydrophobicContact CB-CD1 4.19Å; L342-L347 HydrophobicContact CD1-CB 3.91Å; L342-L347 HydrophobicContact CD1-CD1 4.32Å; L342-W363 HydrophobicContact CD1-CH2 4.31Å
343A93.7Very high93.8Very high18 Ų1828.9 Ų28.915%0.14914%0.141CC..EExtended strand (participates in β ladder)trans-158.5166.9175.700000110.2D345 H346 Q381A343-D345 VanDerWaalsContact C-N 3.27Å; A343-D345 PolarHBondContact O-N 3.43Å; A343-H346 PolarHBondContact N-O 3.33Å; A343-H346 VanDerWaalsContact N-O 3.13Å; A343-H346 PolarHBondContact O-N 3.48Å; A343-Q381 HydrophobicContact CB-CB 4.01Å; A343-Q381 PolarHBondContact O-OE1 2.79Å
344F93.3Very high93.7Very high43 Ų4329.6 Ų29.619%0.18915%0.145CC..THydrogen-bonded Turntrans45.544.9172.9-57.7-79.2000115.1H346 Q381 A382 E383F344-H346 PolarHBondContact O-N 3.29Å; F344-H346 PolarHBondContact O-ND1 3.44Å; F344-Q381 HydrophobicContact CD2-CB 4.04Å; F344-Q381 WeakPolarHBondContact CE2-O 3.25Å; F344-A382 VanDerWaalsContact CD2-C 3.49Å; F344-E383 HydrophobicContact CD1-CB 3.95Å; F344-E383 HydrophobicContact CD1-CG 4.48Å; F344-E383 HydrophobicContact CE1-CB 4.29Å
345D93.9Very high93.9Very high52 Ų5221.1 Ų21.128%0.27811%0.113SC..THydrogen-bonded Turntrans63.812.8-177.7-74-58.1000116W305 A343 S360W305-D345 HydrophobicContact CH2-CB 4.07Å; W305-D345 WeakPolarHBondContact CH2-OD1 3.43Å; W305-D345 HydrophobicContact CZ3-CB 4.33Å; W305-D345 WeakPolarHBondContact CZ3-OD1 3.46Å; A343-D345 VanDerWaalsContact C-N 3.27Å; A343-D345 PolarHBondContact O-N 3.43Å; D345-S360 WeakPolarHBondContact CB-OG 3.28Å; D345-S360 WeakPolarHBondContact O-CB 3.2Å; D345-S360 PolarHBondContact O-N 3.16Å; D345-S360 PolarHBondContact O-OG 2.92Å; D345-S360 PolarHBondContact OD1-OG 3.21Å
346H96.3Very high94.2Very high30 Ų3020.6 Ų20.614%0.13911%0.109CC..EExtended strand (participates in β ladder)trans-127.5139.4-179.2-62.187.7000112.3L342 A343 F344 Y358 N359 Q381 Y399L342-H346 WeakPolarHBondContact CA-O 3.46Å; A343-H346 PolarHBondContact N-O 3.33Å; A343-H346 VanDerWaalsContact N-O 3.13Å; A343-H346 PolarHBondContact O-N 3.48Å; F344-H346 PolarHBondContact O-N 3.29Å; F344-H346 PolarHBondContact O-ND1 3.44Å; H346-Y358 VanDerWaalsContact CA-O 3.26Å; H346-Y358 WeakPolarHBondContact CA-O 3.38Å; H346-N359 PolarHBondContact NE2-ND2 3.46Å; H346-Q381 PolarHBondContact O-OE1 3.17Å; H346-Y399 HydrophobicContact CB-CD1 3.66Å; H346-Y399 HydrophobicContact CB-CE1 3.42Å; H346-Y399 VanDerWaalsContact CB-CE1 3.42Å; H346-Y399 HydrophobicContact CB-CG 4.49Å; H346-Y399 AromaticContact CD2-CD1 3.59Å; H346-Y399 AromaticContact CD2-CG 3.7Å; H346-Y399 AromaticContact CE1-CD2 3.78Å; H346-Y399 AromaticContact CE1-CG 3.83Å; H346-Y399 AromaticContact CG-CD1 3.4Å; H346-Y399 AromaticContact CG-CE1 3.53Å; H346-Y399 AromaticContact CG-CG 3.76Å; H346-Y399 AromaticContact CG-CZ 3.99Å; H346-Y399 AromaticContact ND1-CD1 3.84Å; H346-Y399 AromaticContact ND1-CD2 3.82Å; H346-Y399 AromaticContact ND1-CE1 3.83Å; H346-Y399 AromaticContact ND1-CE2 3.8Å; H346-Y399 AromaticContact ND1-CG 3.84Å; H346-Y399 AromaticContact ND1-CZ 3.8Å; H346-Y399 AromaticContact NE2-CG 3.77Å
347L97.4Very high94.5Very high0 Ų020 Ų200%011%0.107CC..EExtended strand (participates in β ladder)trans-105.4118165.6173.268.4000107.8I310 L331 A340 S341 L342 V349 V357 Y358 W363I310-L347 HydrophobicContact CD1-CB 4.4Å; I310-L347 HydrophobicContact CD1-CD1 3.74Å; I310-L347 HydrophobicContact CD1-CD2 3.67Å; I310-L347 HydrophobicContact CD1-CG 4.11Å; L331-L347 HydrophobicContact CD1-CD2 3.61Å; A340-L347 HydrophobicContact CB-CD1 4.48Å; S341-L347 WeakPolarHBondContact O-CA 3.29Å; L342-L347 HydrophobicContact CB-CD1 4.19Å; L342-L347 HydrophobicContact CD1-CB 3.91Å; L342-L347 HydrophobicContact CD1-CD1 4.32Å; L347-V349 HydrophobicContact CD1-CG2 4.01Å; L347-V349 HydrophobicContact CD2-CG2 3.8Å; L347-V349 HydrophobicContact CG-CG2 3.63Å; L347-V357 WeakPolarHBondContact O-CA 3.44Å; L347-Y358 HydrophobicContact CB-CD2 4.47Å; L347-Y358 HydrophobicContact CD2-CD2 3.94Å; L347-Y358 HydrophobicContact CD2-CE2 4.49Å; L347-Y358 HydrophobicContact CD2-CG 4.47Å; L347-Y358 HydrophobicContact CG-CD2 4.34Å; L347-Y358 PolarHBondContact N-O 2.79Å; L347-Y358 PolarHBondContact O-N 3.3Å; L347-W363 HydrophobicContact CB-CH2 4.26Å; L347-W363 HydrophobicContact CB-CZ3 3.7Å; L347-W363 HydrophobicContact CD2-CZ3 3.88Å; L347-W363 HydrophobicContact CG-CZ3 4.46Å
348V97.4Very high94.7Very high0 Ų020.1 Ų20.10%011%0.107CC..EExtended strand (participates in β ladder)trans-105.6119.4173.9-178.50000107.6A340 S341 Y356 V357 I379 Q381 F386 Y399A340-V348 CarbonylContact C-O 3.58Å; A340-V348 VanDerWaalsContact CA-O 3.23Å; A340-V348 WeakPolarHBondContact CA-O 3.48Å; S341-V348 PolarHBondContact N-O 3.38Å; S341-V348 PolarHBondContact O-N 3.15Å; V348-Y356 CarbonylContact C-O 3.6Å; V348-Y356 WeakPolarHBondContact CA-O 3.11Å; V348-V357 HydrophobicContact CG2-CG1 4.4Å; V348-V357 HydrophobicContact CG2-CG2 4.41Å; V348-I379 HydrophobicContact CB-CG2 4.18Å; V348-I379 HydrophobicContact CG1-CD1 4.25Å; V348-I379 HydrophobicContact CG1-CG2 4.07Å; V348-Q381 HydrophobicContact CG2-CG 4.42Å; V348-F386 HydrophobicContact CG1-CD2 3.94Å; V348-F386 HydrophobicContact CG1-CE2 3.73Å; V348-F386 HydrophobicContact CG1-CZ 4.15Å; V348-F386 HydrophobicContact CG2-CB 4.46Å; V348-F386 HydrophobicContact CG2-CD1 4.08Å; V348-F386 HydrophobicContact CG2-CD2 4.27Å; V348-F386 HydrophobicContact CG2-CE1 4.34Å; V348-F386 HydrophobicContact CG2-CG 4.03Å; V348-Y399 HydrophobicContact CG2-CE1 4.15Å
349V96.7Very high94.8Very high0 Ų022.4 Ų22.40%012%0.119CC..EExtended strand (participates in β ladder)trans-119.1114.4179.3-170.70000109M318 F333 V337 A340 L347 C355 Y356 Y358M318-V349 HydrophobicContact SD-CG1 4.13Å; M318-V349 HydrophobicContact SD-CG2 3.99Å; F333-V349 HydrophobicContact CD1-CG1 4.48Å; F333-V349 HydrophobicContact CE1-CB 4.06Å; F333-V349 HydrophobicContact CE1-CG1 3.92Å; F333-V349 HydrophobicContact CE1-CG2 4.22Å; F333-V349 HydrophobicContact CE2-CG1 4.43Å; F333-V349 HydrophobicContact CZ-CB 4.2Å; F333-V349 HydrophobicContact CZ-CG1 3.9Å; F333-V349 HydrophobicContact CZ-CG2 3.97Å; V337-V349 HydrophobicContact CB-CG1 4.4Å; V337-V349 HydrophobicContact CG1-CG1 3.67Å; V337-V349 HydrophobicContact CG2-CG1 3.99Å; A340-V349 HydrophobicContact CB-CG1 4.41Å; A340-V349 HydrophobicContact CB-CG2 4.25Å; L347-V349 HydrophobicContact CD1-CG2 4.01Å; L347-V349 HydrophobicContact CD2-CG2 3.8Å; L347-V349 HydrophobicContact CG-CG2 3.63Å; V349-C355 WeakPolarHBondContact O-CA 3.4Å; V349-Y356 PolarHBondContact N-O 2.8Å; V349-Y356 PolarHBondContact O-N 3.44Å; V349-Y358 HydrophobicContact CG2-CE2 4.38Å
350A95.3Very high94.7Very high0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-90.2122169.900000109.6I338 K339 L371 V376 I379I338-A350 PolarHBondContact N-O 3.43Å; K339-A350 PolarHBondContact N-O 3.17Å; K339-A350 PolarHBondContact O-N 3.02Å; A350-L371 HydrophobicContact CB-CD1 4.25Å; A350-V376 HydrophobicContact CB-CB 3.95Å; A350-V376 HydrophobicContact CB-CG1 4.06Å; A350-V376 HydrophobicContact CB-CG2 3.77Å; A350-I379 HydrophobicContact CB-CD1 3.96Å
351T94.1Very high94.5Very high0 Ų030.4 Ų30.40%015%0.148CC..EExtended strand (participates in β ladder)trans-96.6-179.4166.975.70000110.2F333 R336 L353 Q354 Y356F333-T351 HydrophobicContact CB-CG2 4.23Å; F333-T351 HydrophobicContact CD1-CG2 4.22Å; F333-T351 HydrophobicContact CG-CG2 4.38Å; R336-T351 CarbonylContact O-C 3.58Å; R336-T351 WeakPolarHBondContact O-CA 3.45Å; R336-T351 VanDerWaalsContact O-CB 3.26Å; R336-T351 WeakPolarHBondContact O-CB 3.35Å; T351-L353 PolarHBondContact O-N 3.34Å; T351-L353 PolarHBondContact OG1-N 3.47Å; T351-Q354 PolarHBondContact N-O 3.1Å; T351-Q354 PolarHBondContact OG1-N 2.73Å; T351-Q354 PolarHBondContact OG1-O 3.03Å; T351-Y356 HydrophobicContact CG2-CD2 3.86Å; T351-Y356 HydrophobicContact CG2-CE2 3.6Å
352S87.8Confident94.2Very high23 Ų2332.4 Ų32.416%0.16116%0.156CC..SBendtrans-63-19176.757.80000115.1R336 I338 G374R336-S352 PolarHBondContact O-N 2.81Å; R336-S352 VanDerWaalsContact O-N 3.1Å; I338-S352 VanDerWaalsContact CD1-CA 3.41Å; S352-G374 WeakPolarHBondContact O-CA 3.35Å
353L88.9Confident94.1Very high97 Ų9732.6 Ų32.651%0.50816%0.156SC..SBendtrans-133.1-21.2-176.4-65.1175.8000113.9T351 L371T351-L353 PolarHBondContact O-N 3.34Å; T351-L353 PolarHBondContact OG1-N 3.47Å; L353-L371 PolarHBondContact O-N 3.36Å
354Q93.8Very high93.9Very high28 Ų2838.1 Ų38.113%0.13118%0.183CC..EExtended strand (participates in β ladder)trans-137.1154.1-171.6-56.9-166.7-5400111.3T351 Y356 I368 F369 D370T351-Q354 PolarHBondContact N-O 3.1Å; T351-Q354 PolarHBondContact OG1-N 2.73Å; T351-Q354 PolarHBondContact OG1-O 3.03Å; Q354-Y356 HydrophobicContact CB-CD2 4.43Å; Q354-Y356 HydrophobicContact CB-CE2 3.88Å; Q354-Y356 PolarHBondContact OE1-OH 2.89Å; Q354-I368 HydrophobicContact CB-CG2 4.05Å; Q354-I368 HydrophobicContact CG-CG2 4.45Å; Q354-F369 CarbonylContact C-O 3.57Å; Q354-F369 WeakPolarHBondContact CA-O 2.97Å; Q354-D370 WeakPolarHBondContact CG-OD1 3.04Å; Q354-D370 PolarHBondContact NE2-OD1 2.96Å
355C95.5Very high93.9Very high0 Ų040.8 Ų40.80%020%0.203CC..EExtended strand (participates in β ladder)trans-110.6129.9169.1-171.50000109V349 I368 F369 L371V349-C355 WeakPolarHBondContact O-CA 3.4Å; C355-I368 WeakPolarHBondContact O-CA 3.38Å; C355-F369 HydrophobicContact CB-CD1 4.21Å; C355-F369 HydrophobicContact CB-CD2 4.15Å; C355-F369 HydrophobicContact CB-CE1 3.71Å; C355-F369 HydrophobicContact CB-CE2 3.63Å; C355-F369 HydrophobicContact CB-CG 4.43Å; C355-F369 HydrophobicContact CB-CZ 3.41Å; C355-F369 VanDerWaalsContact CB-CZ 3.41Å; C355-F369 PolarHBondContact N-O 3.08Å; C355-F369 PolarHBondContact O-N 3.27Å; C355-F369 VanDerWaalsContact O-N 3.1Å; C355-L371 HydrophobicContact CB-CD1 4.32Å; C355-L371 HydrophobicContact CB-CD2 3.98Å; C355-L371 HydrophobicContact CB-CG 4.13Å
356Y96.6Very high93.9Very high15 Ų1539.9 Ų39.96%0.05920%0.2CC..EExtended strand (participates in β ladder)trans-108.6128.6176.5-64.9-109.4000108.8F333 V348 V349 T351 Q354 Y358 P366 L367 I368F333-Y356 HydrophobicContact CD1-CD1 4.08Å; F333-Y356 AromaticContact CD1-CD2 3.81Å; F333-Y356 HydrophobicContact CD1-CD2 3.81Å; F333-Y356 HydrophobicContact CD1-CE1 4.1Å; F333-Y356 AromaticContact CD1-CE2 3.83Å; F333-Y356 HydrophobicContact CD1-CE2 3.83Å; F333-Y356 AromaticContact CD1-CG 3.95Å; F333-Y356 HydrophobicContact CD1-CG 3.95Å; F333-Y356 AromaticContact CD1-CZ 3.98Å; F333-Y356 HydrophobicContact CE1-CD1 4.14Å; F333-Y356 HydrophobicContact CE1-CD2 4.13Å; F333-Y356 AromaticContact CE1-CG 3.91Å; F333-Y356 HydrophobicContact CE1-CG 3.91Å; V348-Y356 CarbonylContact C-O 3.6Å; V348-Y356 WeakPolarHBondContact CA-O 3.11Å; V349-Y356 PolarHBondContact N-O 2.8Å; V349-Y356 PolarHBondContact O-N 3.44Å; T351-Y356 HydrophobicContact CG2-CD2 3.86Å; T351-Y356 HydrophobicContact CG2-CE2 3.6Å; Q354-Y356 HydrophobicContact CB-CD2 4.43Å; Q354-Y356 HydrophobicContact CB-CE2 3.88Å; Q354-Y356 PolarHBondContact OE1-OH 2.89Å; Y356-Y358 HydrophobicContact CD1-CE2 4.39Å; Y356-Y358 HydrophobicContact CG-CE2 4.38Å; Y356-P366 HydrophobicContact CD1-CB 4.29Å; Y356-P366 HydrophobicContact CD1-CG 4.24Å; Y356-L367 CarbonylContact C-O 3.58Å; Y356-L367 WeakPolarHBondContact CA-O 3.36Å; Y356-I368 HydrophobicContact CD1-CD1 3.78Å; Y356-I368 HydrophobicContact CD1-CG1 3.59Å; Y356-I368 HydrophobicContact CD1-CG2 4.41Å; Y356-I368 HydrophobicContact CE1-CD1 3.4Å; Y356-I368 VanDerWaalsContact CE1-CD1 3.4Å; Y356-I368 HydrophobicContact CE1-CG1 3.72Å; Y356-I368 HydrophobicContact CE1-CG2 4.19Å; Y356-I368 HydrophobicContact CE2-CG2 4.44Å; Y356-I368 HydrophobicContact CG-CG1 4.33Å
357V97.2Very high93.8Very high6 Ų641.8 Ų41.84%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-117.8111.5174.8-174.90000108.1L347 V348 P366 L367 F369 F386 Y399L347-V357 WeakPolarHBondContact O-CA 3.44Å; V348-V357 HydrophobicContact CG2-CG1 4.4Å; V348-V357 HydrophobicContact CG2-CG2 4.41Å; V357-P366 WeakPolarHBondContact O-CA 3.47Å; V357-L367 HydrophobicContact CB-CB 4.36Å; V357-L367 PolarHBondContact N-O 3.37Å; V357-L367 PolarHBondContact O-N 2.74Å; V357-F369 HydrophobicContact CG2-CE1 4.22Å; V357-F386 HydrophobicContact CG2-CE1 3.88Å; V357-F386 HydrophobicContact CG2-CZ 3.91Å; V357-Y399 HydrophobicContact CG1-CD1 3.86Å
358Y96.4Very high93.7Very high9 Ų945.6 Ų45.64%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-101.3148.5174.4-59.4-100.2000110.2L331 F333 H346 L347 V349 Y356 W363 P366L331-Y358 HydrophobicContact CD1-CD1 4.46Å; L331-Y358 HydrophobicContact CD1-CD2 4.38Å; L331-Y358 HydrophobicContact CD1-CE1 4.18Å; L331-Y358 HydrophobicContact CD1-CE2 4.1Å; L331-Y358 HydrophobicContact CD2-CD1 4.35Å; L331-Y358 HydrophobicContact CD2-CE1 3.83Å; F333-Y358 AromaticContact CE1-CE2 3.88Å; F333-Y358 HydrophobicContact CE1-CE2 3.88Å; F333-Y358 WeakPolarHBondContact CE1-OH 3.4Å; F333-Y358 HydrophobicContact CZ-CE2 4.2Å; H346-Y358 VanDerWaalsContact CA-O 3.26Å; H346-Y358 WeakPolarHBondContact CA-O 3.38Å; L347-Y358 HydrophobicContact CB-CD2 4.47Å; L347-Y358 HydrophobicContact CD2-CD2 3.94Å; L347-Y358 HydrophobicContact CD2-CE2 4.49Å; L347-Y358 HydrophobicContact CD2-CG 4.47Å; L347-Y358 HydrophobicContact CG-CD2 4.34Å; L347-Y358 PolarHBondContact N-O 2.79Å; L347-Y358 PolarHBondContact O-N 3.3Å; V349-Y358 HydrophobicContact CG2-CE2 4.38Å; Y356-Y358 HydrophobicContact CD1-CE2 4.39Å; Y356-Y358 HydrophobicContact CG-CE2 4.38Å; Y358-W363 HydrophobicContact CD1-CE3 4.17Å; Y358-W363 WeakPolarHBondContact CD1-O 3.35Å; Y358-W363 WeakPolarHBondContact CE1-O 3.45Å; Y358-W363 HydrophobicContact CG-CE3 4.07Å; Y358-W363 HydrophobicContact CG-CZ3 4.42Å; Y358-P366 HydrophobicContact CD1-CB 3.65Å; Y358-P366 HydrophobicContact CD1-CG 4.16Å; Y358-P366 HydrophobicContact CD2-CB 4.21Å; Y358-P366 HydrophobicContact CE1-CB 3.45Å; Y358-P366 VanDerWaalsContact CE1-CB 3.45Å; Y358-P366 HydrophobicContact CE1-CG 3.54Å; Y358-P366 HydrophobicContact CE2-CB 4.02Å; Y358-P366 HydrophobicContact CG-CB 4.02Å
359N94.9Very high93.6Very high55 Ų5547.3 Ų47.329%0.29424%0.238SC..EExtended strand (participates in β ladder)trans-99137.6168.4-170.9-71.1000109.3H346 R361 N362H346-N359 PolarHBondContact NE2-ND2 3.46Å; N359-R361 PolarHBondContact O-N 3.48Å; N359-R361 VanDerWaalsContact OD1-CB 3.26Å; N359-R361 WeakPolarHBondContact OD1-CB 3.48Å; N359-R361 WeakPolarHBondContact OD1-CG 3.49Å; N359-R361 PolarHBondContact OD1-N 3.25Å; N359-N362 CarbonylContact O-C 3.57Å; N359-N362 PolarHBondContact O-N 2.95Å; N359-N362 VanDerWaalsContact O-O 3.07Å
360S91.5Very high93.4Very high11 Ų1153 Ų538%0.07727%0.269CS..THydrogen-bonded Turntrans-57.3-23.9-179.467.10000113.6D345D345-S360 WeakPolarHBondContact CB-OG 3.28Å; D345-S360 WeakPolarHBondContact O-CB 3.2Å; D345-S360 PolarHBondContact O-N 3.16Å; D345-S360 PolarHBondContact O-OG 2.92Å; D345-S360 PolarHBondContact OD1-OG 3.21Å
361R91.1Very high93Very high214 Ų21454.2 Ų54.281%0.80828%0.275SS*.THydrogen-bonded Turntrans-79.8-22.2177.4-56.6178.3-173.2-173.12.7113.2N359N359-R361 PolarHBondContact O-N 3.48Å; N359-R361 VanDerWaalsContact OD1-CB 3.26Å; N359-R361 WeakPolarHBondContact OD1-CB 3.48Å; N359-R361 WeakPolarHBondContact OD1-CG 3.49Å; N359-R361 PolarHBondContact OD1-N 3.25Å
362N91.7Very high92.2Very high64 Ų6463 Ų6334%0.34231%0.313SS..EExtended strand (participates in β ladder)trans-152.7104.8-178.5-175.66.7000112.1N359 N364 T365N359-N362 CarbonylContact O-C 3.57Å; N359-N362 PolarHBondContact O-N 2.95Å; N359-N362 VanDerWaalsContact O-O 3.07Å; N362-N364 WeakPolarHBondContact OD1-CB 3.39Å; N362-N364 PolarHBondContact OD1-N 2.97Å; N362-T365 PolarHBondContact ND2-OG1 3.4Å
363W92.6Very high91.4Very high19 Ų1965.5 Ų65.57%0.07232%0.322CS..EExtended strand (participates in β ladder)trans-81.2-11.6178.8-58.1112.7000114.3F308 I310 V320 L331 L342 L347 Y358F308-W363 AromaticContact CD1-CZ2 3.85Å; F308-W363 HydrophobicContact CD1-CZ2 3.85Å; F308-W363 AromaticContact CE1-CZ2 3.89Å; F308-W363 HydrophobicContact CE1-CZ2 3.89Å; F308-W363 AromaticContact CE1-NE1 3.88Å; F308-W363 HydrophobicContact CG-CZ2 4.24Å; F308-W363 HydrophobicContact CZ-CZ2 4.33Å; I310-W363 HydrophobicContact CD1-CH2 4.21Å; I310-W363 HydrophobicContact CD1-CZ3 4.44Å; V320-W363 HydrophobicContact CG1-CD2 4.3Å; V320-W363 HydrophobicContact CG1-CH2 4.3Å; V320-W363 HydrophobicContact CG1-CZ2 3.77Å; V320-W363 HydrophobicContact CG2-CD2 4.45Å; V320-W363 HydrophobicContact CG2-CE3 4.36Å; L331-W363 HydrophobicContact CD1-CE3 4.46Å; L331-W363 HydrophobicContact CD2-CB 4.14Å; L342-W363 HydrophobicContact CD1-CH2 4.31Å; L347-W363 HydrophobicContact CB-CH2 4.26Å; L347-W363 HydrophobicContact CB-CZ3 3.7Å; L347-W363 HydrophobicContact CD2-CZ3 3.88Å; L347-W363 HydrophobicContact CG-CZ3 4.46Å; Y358-W363 HydrophobicContact CD1-CE3 4.17Å; Y358-W363 WeakPolarHBondContact CD1-O 3.35Å; Y358-W363 WeakPolarHBondContact CE1-O 3.45Å; Y358-W363 HydrophobicContact CG-CE3 4.07Å; Y358-W363 HydrophobicContact CG-CZ3 4.42Å
364N90.5Very high90.2Very high134 Ų13462.1 Ų62.172%0.71731%0.311SS*.EExtended strand (participates in β ladder)trans-86.2-23.2-171.3-66.2-42.6000114N362 P366N362-N364 WeakPolarHBondContact OD1-CB 3.39Å; N362-N364 PolarHBondContact OD1-N 2.97Å; N364-P366 VanDerWaalsContact C-CD 3.43Å; N364-P366 VanDerWaalsContact O-CD 3.31Å; N364-P366 WeakPolarHBondContact O-CD 3.39Å
365T92Very high89.5Confident99 Ų9963.2 Ų63.261%0.60732%0.32SS*.EExtended strand (participates in β ladder)trans-121.371.5-176.359.90000110.5N362N362-T365 PolarHBondContact ND2-OG1 3.4Å
366P94.7Very high89.2Confident34 Ų3463.5 Ų63.522%0.22132%0.321CS..EExtended strand (participates in β ladder)trans-65.8149.5172.327.1-32000110.5Y356 V357 Y358 N364 I368Y356-P366 HydrophobicContact CD1-CB 4.29Å; Y356-P366 HydrophobicContact CD1-CG 4.24Å; V357-P366 WeakPolarHBondContact O-CA 3.47Å; Y358-P366 HydrophobicContact CD1-CB 3.65Å; Y358-P366 HydrophobicContact CD1-CG 4.16Å; Y358-P366 HydrophobicContact CD2-CB 4.21Å; Y358-P366 HydrophobicContact CE1-CB 3.45Å; Y358-P366 VanDerWaalsContact CE1-CB 3.45Å; Y358-P366 HydrophobicContact CE1-CG 3.54Å; Y358-P366 HydrophobicContact CE2-CB 4.02Å; Y358-P366 HydrophobicContact CG-CB 4.02Å; N364-P366 VanDerWaalsContact C-CD 3.43Å; N364-P366 VanDerWaalsContact O-CD 3.31Å; N364-P366 WeakPolarHBondContact O-CD 3.39Å; P366-I368 HydrophobicContact CB-CG1 4.35Å; P366-I368 HydrophobicContact CG-CD1 4.26Å; P366-I368 HydrophobicContact CG-CG1 4.23Å
367L94.8Very high88.9Confident69 Ų6964.1 Ų64.136%0.36133%0.328SS..EExtended strand (participates in β ladder)trans-81.2135.2159.6-174.599.7000109.2Y356 V357 F369 E400Y356-L367 CarbonylContact C-O 3.58Å; Y356-L367 WeakPolarHBondContact CA-O 3.36Å; V357-L367 HydrophobicContact CB-CB 4.36Å; V357-L367 PolarHBondContact N-O 3.37Å; V357-L367 PolarHBondContact O-N 2.74Å; L367-F369 HydrophobicContact CD2-CD1 4.25Å; L367-E400 WeakPolarHBondContact CD2-O 3.44Å
368I95.3Very high88.6Confident81 Ų8164.7 Ų64.742%0.41533%0.331SS..EExtended strand (participates in β ladder)trans-127.8131.6-177.4-49.1172.3000108.9Q354 C355 Y356 P366Q354-I368 HydrophobicContact CB-CG2 4.05Å; Q354-I368 HydrophobicContact CG-CG2 4.45Å; C355-I368 WeakPolarHBondContact O-CA 3.38Å; Y356-I368 HydrophobicContact CD1-CD1 3.78Å; Y356-I368 HydrophobicContact CD1-CG1 3.59Å; Y356-I368 HydrophobicContact CD1-CG2 4.41Å; Y356-I368 HydrophobicContact CE1-CD1 3.4Å; Y356-I368 VanDerWaalsContact CE1-CD1 3.4Å; Y356-I368 HydrophobicContact CE1-CG1 3.72Å; Y356-I368 HydrophobicContact CE1-CG2 4.19Å; Y356-I368 HydrophobicContact CE2-CG2 4.44Å; Y356-I368 HydrophobicContact CG-CG1 4.33Å; P366-I368 HydrophobicContact CB-CG1 4.35Å; P366-I368 HydrophobicContact CG-CD1 4.26Å; P366-I368 HydrophobicContact CG-CG1 4.23Å
369F94.3Very high88.6Confident35 Ų3564.9 Ų64.915%0.15433%0.332CS..EExtended strand (participates in β ladder)trans-140.3154.2170.663.8-91000111.3Q354 C355 V357 L367 L371 F386 F397Q354-F369 CarbonylContact C-O 3.57Å; Q354-F369 WeakPolarHBondContact CA-O 2.97Å; C355-F369 HydrophobicContact CB-CD1 4.21Å; C355-F369 HydrophobicContact CB-CD2 4.15Å; C355-F369 HydrophobicContact CB-CE1 3.71Å; C355-F369 HydrophobicContact CB-CE2 3.63Å; C355-F369 HydrophobicContact CB-CG 4.43Å; C355-F369 HydrophobicContact CB-CZ 3.41Å; C355-F369 VanDerWaalsContact CB-CZ 3.41Å; C355-F369 PolarHBondContact N-O 3.08Å; C355-F369 PolarHBondContact O-N 3.27Å; C355-F369 VanDerWaalsContact O-N 3.1Å; V357-F369 HydrophobicContact CG2-CE1 4.22Å; L367-F369 HydrophobicContact CD2-CD1 4.25Å; F369-L371 HydrophobicContact CE2-CD2 4.03Å; F369-F386 HydrophobicContact CE1-CZ 4.16Å; F369-F386 HydrophobicContact CZ-CZ 4.02Å; F369-F397 HydrophobicContact CD2-CE1 4.19Å; F369-F397 HydrophobicContact CE1-CD1 4.42Å; F369-F397 AromaticContact CE2-CD1 3.92Å; F369-F397 HydrophobicContact CE2-CD1 3.92Å; F369-F397 AromaticContact CE2-CE1 3.45Å; F369-F397 HydrophobicContact CE2-CE1 3.45Å; F369-F397 VanDerWaalsContact CE2-CE1 3.45Å; F369-F397 HydrophobicContact CE2-CE2 4.37Å; F369-F397 AromaticContact CE2-CZ 3.71Å; F369-F397 HydrophobicContact CE2-CZ 3.71Å; F369-F397 AromaticContact CZ-CD1 3.7Å; F369-F397 HydrophobicContact CZ-CD1 3.7Å; F369-F397 HydrophobicContact CZ-CD2 4.45Å; F369-F397 AromaticContact CZ-CE1 3.74Å; F369-F397 HydrophobicContact CZ-CE1 3.74Å; F369-F397 HydrophobicContact CZ-CE2 4.46Å; F369-F397 HydrophobicContact CZ-CG 4.08Å; F369-F397 HydrophobicContact CZ-CZ 4.14Å
370D91.9Very high88.6Confident120 Ų12063.8 Ų63.864%0.64233%0.326SS*.EExtended strand (participates in β ladder)trans-79.7139.6-176.7-61.8-33.9000111.7Q354Q354-D370 WeakPolarHBondContact CG-OD1 3.04Å; Q354-D370 PolarHBondContact NE2-OD1 2.96Å
371L87.1Confident88.8Confident26 Ų2664.1 Ų64.114%0.13633%0.326CS..  trans-91.6140.7173.5-66.2174.4000110A350 L353 C355 F369 V376 L388A350-L371 HydrophobicContact CB-CD1 4.25Å; L353-L371 PolarHBondContact O-N 3.36Å; C355-L371 HydrophobicContact CB-CD1 4.32Å; C355-L371 HydrophobicContact CB-CD2 3.98Å; C355-L371 HydrophobicContact CB-CG 4.13Å; F369-L371 HydrophobicContact CE2-CD2 4.03Å; L371-V376 HydrophobicContact CD1-CG2 3.88Å; L371-L388 HydrophobicContact CD2-CD1 3.75Å
372K77.4Confident89Confident185 Ų18553.9 Ų53.980%0.80429%0.288SS*.SBendtrans-73.5-35.3178.3-68.4-177.3-178.9175.30112.2
373E71Confident89Confident75 Ų7556.5 Ų56.535%0.3530%0.298SS..SBendtrans-129.2145.9176.7-68.6-170.1174.900110.1
374G64.6Low89Confident26 Ų2662.2 Ų62.227%0.26832%0.323SS..SBendtrans-95.417.8-173.300000115.4I338 S352I338-G374 WeakPolarHBondContact CD1-O 3.5Å; S352-G374 WeakPolarHBondContact O-CA 3.35Å
375T79.4Confident89.2Confident51 Ų5156 Ų5631%0.31329%0.29SS..  trans-123.173.5-179.253.90000110.3A279 D280 S377 D390A279-T375 HydrophobicContact CB-CG2 4.33Å; D280-T375 HydrophobicContact CB-CG2 4.42Å; T375-S377 PolarHBondContact O-N 3.01Å; T375-D390 WeakPolarHBondContact O-CA 3.44Å
376V89.3Confident89.5Confident5 Ų551.3 Ų51.33%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-76.3118.1173.9-178.90000109.1K339 A350 L371 I379 L388 V389K339-V376 HydrophobicContact CB-CG1 4.44Å; A350-V376 HydrophobicContact CB-CB 3.95Å; A350-V376 HydrophobicContact CB-CG1 4.06Å; A350-V376 HydrophobicContact CB-CG2 3.77Å; L371-V376 HydrophobicContact CD1-CG2 3.88Å; V376-I379 HydrophobicContact CG1-CD1 4.43Å; V376-I379 HydrophobicContact CG1-CG1 3.94Å; V376-L388 HydrophobicContact CG1-CD1 4.29Å; V376-L388 HydrophobicContact CG1-CD2 3.98Å; V376-L388 HydrophobicContact CG1-CG 3.76Å; V376-L388 HydrophobicContact CG2-CD1 4.16Å; V376-L388 HydrophobicContact CG2-CD2 3.89Å; V376-L388 HydrophobicContact CG2-CG 4.21Å; V376-V389 CarbonylContact C-O 3.59Å; V376-V389 WeakPolarHBondContact CA-O 3.08Å
377S88.9Confident89.6Confident28 Ų2849.7 Ų49.720%0.19625%0.251CS..EExtended strand (participates in β ladder)trans-88.7-39.7-178.656.80000112.2K339 T375 V389K339-S377 VanDerWaalsContact CE-O 3.29Å; K339-S377 WeakPolarHBondContact CE-O 3.36Å; K339-S377 PolarHBondContact NZ-O 3.35Å; K339-S377 VanDerWaalsContact NZ-O 3.16Å; T375-S377 PolarHBondContact O-N 3.01Å; S377-V389 PolarHBondContact N-O 3.21Å; S377-V389 PolarHBondContact OG-O 3.39Å
378L91.9Very high89.5Confident19 Ų1946.5 Ų46.510%0.09923%0.234CC..EExtended strand (participates in β ladder)trans-141.4140.7-173-175.765.6000112L380 V389 A419 V422L378-L380 HydrophobicContact CD1-CD2 3.98Å; L378-L380 HydrophobicContact CD1-CG 4.37Å; L378-L380 HydrophobicContact CD2-CD1 4.01Å; L378-L380 HydrophobicContact CD2-CD2 4.24Å; L378-L380 HydrophobicContact CD2-CG 3.94Å; L378-L380 HydrophobicContact CG-CD2 4.18Å; L378-L380 HydrophobicContact CG-CG 4Å; L378-V389 HydrophobicContact CB-CB 4.01Å; L378-V389 HydrophobicContact CB-CG2 4.07Å; L378-V389 HydrophobicContact CD2-CG2 4.27Å; L378-V389 PolarHBondContact N-O 3.44Å; L378-V389 PolarHBondContact O-N 3.24Å; L378-A419 HydrophobicContact CD1-CB 3.96Å; L378-V422 HydrophobicContact CD2-CB 4.43Å
379I95.4Very high89.4Confident13 Ų1342.7 Ų42.77%0.06721%0.214CC..EExtended strand (participates in β ladder)trans-125.7122.4167.8-58172.5000107.2K339 V348 A350 V376 Q381 L387K339-I379 HydrophobicContact CB-CD1 3.93Å; K339-I379 HydrophobicContact CB-CG1 4.38Å; K339-I379 HydrophobicContact CG-CD1 4.3Å; K339-I379 HydrophobicContact CG-CG1 4.37Å; V348-I379 HydrophobicContact CB-CG2 4.18Å; V348-I379 HydrophobicContact CG1-CD1 4.25Å; V348-I379 HydrophobicContact CG1-CG2 4.07Å; A350-I379 HydrophobicContact CB-CD1 3.96Å; V376-I379 HydrophobicContact CG1-CD1 4.43Å; V376-I379 HydrophobicContact CG1-CG1 3.94Å; I379-Q381 HydrophobicContact CG2-CG 4.5Å; I379-L387 WeakPolarHBondContact CA-O 3.42Å
380L95.7Very high89.1Confident32 Ų3241.3 Ų41.317%0.16821%0.209CC..EExtended strand (participates in β ladder)trans-117.2146.8170.7-58.8177.2000109.1L378 F386 L387 V422 L424L378-L380 HydrophobicContact CD1-CD2 3.98Å; L378-L380 HydrophobicContact CD1-CG 4.37Å; L378-L380 HydrophobicContact CD2-CD1 4.01Å; L378-L380 HydrophobicContact CD2-CD2 4.24Å; L378-L380 HydrophobicContact CD2-CG 3.94Å; L378-L380 HydrophobicContact CG-CD2 4.18Å; L378-L380 HydrophobicContact CG-CG 4Å; L380-F386 CarbonylContact O-C 3.6Å; L380-F386 WeakPolarHBondContact O-CA 3.24Å; L380-F386 WeakPolarHBondContact O-CB 3.35Å; L380-L387 HydrophobicContact CB-CB 4.26Å; L380-L387 HydrophobicContact CD1-CD2 4.26Å; L380-L387 PolarHBondContact N-O 2.94Å; L380-L387 PolarHBondContact O-N 3.49Å; L380-V422 HydrophobicContact CD1-CB 4.14Å; L380-V422 HydrophobicContact CD1-CG1 3.87Å; L380-V422 VanDerWaalsContact CD1-O 3.26Å; L380-V422 WeakPolarHBondContact CD1-O 3.49Å; L380-L424 HydrophobicContact CB-CB 4.17Å; L380-L424 HydrophobicContact CB-CD2 4.35Å; L380-L424 HydrophobicContact CD1-CB 4.49Å
381Q95.7Very high88.4Confident17 Ų1736.2 Ų36.28%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-125.6144.4-178.3-71-177.724.200110.4S341 A343 F344 H346 V348 I379 F386S341-Q381 VanDerWaalsContact CB-NE2 3.29Å; S341-Q381 PolarHBondContact O-NE2 3.38Å; S341-Q381 PolarHBondContact OG-NE2 2.87Å; S341-Q381 VanDerWaalsContact OG-NE2 3.11Å; A343-Q381 HydrophobicContact CB-CB 4.01Å; A343-Q381 PolarHBondContact O-OE1 2.79Å; F344-Q381 HydrophobicContact CD2-CB 4.04Å; F344-Q381 WeakPolarHBondContact CE2-O 3.25Å; H346-Q381 PolarHBondContact O-OE1 3.17Å; V348-Q381 HydrophobicContact CG2-CG 4.42Å; I379-Q381 HydrophobicContact CG2-CG 4.5Å; Q381-F386 HydrophobicContact CB-CB 4.49Å; Q381-F386 HydrophobicContact CG-CB 3.83Å
382A94.8Very high88.2Confident0 Ų036.6 Ų36.60%019%0.189CC..  trans-127.4175.6166.600000108.4F344 K384 H385 Y399 L424F344-A382 VanDerWaalsContact CD2-C 3.49Å; A382-K384 VanDerWaalsContact C-N 3.3Å; A382-K384 PolarHBondContact O-N 3.06Å; A382-H385 CarbonylContact C-O 3.58Å; A382-H385 PolarHBondContact N-O 2.93Å; A382-H385 VanDerWaalsContact O-O 3.11Å; A382-Y399 WeakPolarHBondContact O-CE2 3.39Å; A382-Y399 PolarHBondContact O-OH 2.85Å; A382-L424 HydrophobicContact CB-CD2 3.84Å; A382-L424 HydrophobicContact CB-CG 3.92Å
383E92.6Very high88.7Confident119 Ų11927.8 Ų27.856%0.55615%0.151SC*.SBendtrans-61.2-36.5-176-169.7-167.6173.400113.2F344 Y399 N426F344-E383 HydrophobicContact CD1-CB 3.95Å; F344-E383 HydrophobicContact CD1-CG 4.48Å; F344-E383 HydrophobicContact CE1-CB 4.29Å; E383-Y399 WeakPolarHBondContact O-CE2 3.41Å; E383-N426 VanDerWaalsContact CB-OD1 3.32Å; E383-N426 WeakPolarHBondContact CB-OD1 3.27Å; E383-N426 PolarHBondContact N-OD1 2.96Å; E383-N426 VanDerWaalsContact N-OD1 3.14Å; E383-N426 PolarHBondContact OE2-ND2 3.24Å
384K92.4Very high89.7Confident138 Ų13824.3 Ų24.360%0.614%0.135SC*.SBendtrans-99-24.4-173.4-64.3-176.1-1781780115A382 N426A382-K384 VanDerWaalsContact C-N 3.3Å; A382-K384 PolarHBondContact O-N 3.06Å; K384-N426 HydrophobicContact CD-CB 4.43Å; K384-N426 PolarHBondContact N-OD1 2.84Å; K384-N426 VanDerWaalsContact N-OD1 3.15Å
385H95.3Very high91.1Very high4 Ų424.6 Ų24.62%0.01913%0.128CC..EExtended strand (participates in β ladder)trans-158.6167.8-172.553.4-99.3000110.2A382 T396 F397 S425 N426 P445A382-H385 CarbonylContact C-O 3.58Å; A382-H385 PolarHBondContact N-O 2.93Å; A382-H385 VanDerWaalsContact O-O 3.11Å; H385-T396 HydrophobicContact CB-CG2 4.21Å; H385-F397 WeakPolarHBondContact CA-O 3.22Å; H385-F397 WeakPolarHBondContact CB-O 3.37Å; H385-S425 PolarHBondContact CE1-O 2.8Å; H385-S425 PolarHBondContact NE2-O 3.29Å; H385-N426 PolarHBondContact CE1-O 2.92Å; H385-N426 VanDerWaalsContact CE1-O 3.31Å; H385-P445 VanDerWaalsContact CE1-CG 3.43Å; H385-P445 WeakPolarHBondContact CE1-CG 3.47Å; H385-P445 WeakPolarHBondContact NE2-CB 3.13Å
386F96.9Very high91.9Very high0 Ų022.2 Ų22.20%011%0.113CC..EExtended strand (participates in β ladder)trans-127.2157.7174.368.9-87.5000110.5V348 V357 F369 L380 Q381 F397 S398 Y399V348-F386 HydrophobicContact CG1-CD2 3.94Å; V348-F386 HydrophobicContact CG1-CE2 3.73Å; V348-F386 HydrophobicContact CG1-CZ 4.15Å; V348-F386 HydrophobicContact CG2-CB 4.46Å; V348-F386 HydrophobicContact CG2-CD1 4.08Å; V348-F386 HydrophobicContact CG2-CD2 4.27Å; V348-F386 HydrophobicContact CG2-CE1 4.34Å; V348-F386 HydrophobicContact CG2-CG 4.03Å; V357-F386 HydrophobicContact CG2-CE1 3.88Å; V357-F386 HydrophobicContact CG2-CZ 3.91Å; F369-F386 HydrophobicContact CE1-CZ 4.16Å; F369-F386 HydrophobicContact CZ-CZ 4.02Å; L380-F386 CarbonylContact O-C 3.6Å; L380-F386 WeakPolarHBondContact O-CA 3.24Å; L380-F386 WeakPolarHBondContact O-CB 3.35Å; Q381-F386 HydrophobicContact CB-CB 4.49Å; Q381-F386 HydrophobicContact CG-CB 3.83Å; F386-F397 HydrophobicContact CD1-CB 4.12Å; F386-F397 HydrophobicContact CD2-CB 4.3Å; F386-F397 HydrophobicContact CE1-CB 3.56Å; F386-F397 HydrophobicContact CE2-CB 3.77Å; F386-F397 HydrophobicContact CE2-CD2 4.06Å; F386-F397 HydrophobicContact CE2-CG 4.17Å; F386-F397 HydrophobicContact CG-CB 4.47Å; F386-F397 HydrophobicContact CZ-CB 3.37Å; F386-F397 HydrophobicContact CZ-CD2 4.34Å; F386-F397 AromaticContact CZ-CG 3.98Å; F386-F397 HydrophobicContact CZ-CG 3.98Å; F386-F397 PolarHBondContact N-O 3.01Å; F386-F397 PolarHBondContact O-N 3.19Å; F386-S398 WeakPolarHBondContact CE1-O 3.44Å; F386-Y399 HydrophobicContact CB-CE1 4.15Å; F386-Y399 AromaticContact CD1-CD1 3.74Å; F386-Y399 HydrophobicContact CD1-CD1 3.74Å; F386-Y399 AromaticContact CD1-CE1 3.77Å; F386-Y399 HydrophobicContact CD1-CE1 3.77Å; F386-Y399 HydrophobicContact CD1-CG 4.49Å; F386-Y399 HydrophobicContact CE1-CD1 4.28Å; F386-Y399 HydrophobicContact CG-CE1 4.36Å
387L96.3Very high92.2Very high1 Ų123 Ų231%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-112.9132.1-180-170.875.7000109.3I379 L380 V389 L394 Y395 T396 V422 L424 I429I379-L387 WeakPolarHBondContact CA-O 3.42Å; L380-L387 HydrophobicContact CB-CB 4.26Å; L380-L387 HydrophobicContact CD1-CD2 4.26Å; L380-L387 PolarHBondContact N-O 2.94Å; L380-L387 PolarHBondContact O-N 3.49Å; L387-V389 HydrophobicContact CD2-CG2 4.41Å; L387-L394 HydrophobicContact CD1-CD2 3.26Å; L387-L394 HydrophobicContact CD1-CG 3.69Å; L387-L394 HydrophobicContact CD2-CD1 3.88Å; L387-L394 HydrophobicContact CD2-CD2 4Å; L387-L394 HydrophobicContact CD2-CG 3.88Å; L387-L394 HydrophobicContact CG-CD2 4.04Å; L387-L394 HydrophobicContact CG-CG 3.98Å; L387-Y395 WeakPolarHBondContact CA-O 3.34Å; L387-Y395 WeakPolarHBondContact CD1-O 3.22Å; L387-T396 WeakPolarHBondContact CD1-OG1 3.39Å; L387-V422 HydrophobicContact CD2-CG1 3.65Å; L387-L424 HydrophobicContact CB-CD1 4.28Å; L387-L424 HydrophobicContact CB-CD2 3.84Å; L387-I429 HydrophobicContact CD1-CD1 4.1Å
388L94.7Very high92.5Very high2 Ų222.6 Ų22.61%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-118.8127.4175.3-172.5157.9000108.3L371 V376 D390 Y395 F397L371-L388 HydrophobicContact CD2-CD1 3.75Å; V376-L388 HydrophobicContact CG1-CD1 4.29Å; V376-L388 HydrophobicContact CG1-CD2 3.98Å; V376-L388 HydrophobicContact CG1-CG 3.76Å; V376-L388 HydrophobicContact CG2-CD1 4.16Å; V376-L388 HydrophobicContact CG2-CD2 3.89Å; V376-L388 HydrophobicContact CG2-CG 4.21Å; L388-D390 HydrophobicContact CD2-CB 4.35Å; L388-Y395 HydrophobicContact CD2-CD2 4.49Å; L388-Y395 PolarHBondContact N-O 2.9Å; L388-Y395 PolarHBondContact O-N 2.84Å; L388-F397 HydrophobicContact CB-CD2 4.3Å; L388-F397 HydrophobicContact CB-CE2 4.24Å
389V92.1Very high92.7Very high0 Ų023 Ų230%011%0.114CC..EExtended strand (participates in β ladder)trans-111.3128.2173.5-170.10000108.5V376 S377 L378 L387 L394 A414 L417V376-V389 CarbonylContact C-O 3.59Å; V376-V389 WeakPolarHBondContact CA-O 3.08Å; S377-V389 PolarHBondContact N-O 3.21Å; S377-V389 PolarHBondContact OG-O 3.39Å; L378-V389 HydrophobicContact CB-CB 4.01Å; L378-V389 HydrophobicContact CB-CG2 4.07Å; L378-V389 HydrophobicContact CD2-CG2 4.27Å; L378-V389 PolarHBondContact N-O 3.44Å; L378-V389 PolarHBondContact O-N 3.24Å; L387-V389 HydrophobicContact CD2-CG2 4.41Å; V389-L394 HydrophobicContact CG2-CD1 3.89Å; V389-L394 HydrophobicContact CG2-CG 4.08Å; V389-A414 HydrophobicContact CG1-CB 4.23Å; V389-A414 WeakPolarHBondContact CG1-O 3.3Å; V389-L417 HydrophobicContact CG1-CB 4.29Å; V389-L417 HydrophobicContact CG1-CD1 4.19Å
390D87.8Confident92.5Very high7 Ų729.9 Ų29.94%0.03715%0.146CC..EExtended strand (participates in β ladder)trans-118.9-177.4168.86725.7000110T375 L388 S392 G393 Y395 A414T375-D390 WeakPolarHBondContact O-CA 3.44Å; L388-D390 HydrophobicContact CD2-CB 4.35Å; D390-S392 PolarHBondContact O-N 2.98Å; D390-S392 VanDerWaalsContact O-N 3.17Å; D390-S392 WeakPolarHBondContact OD1-CA 3.48Å; D390-S392 WeakPolarHBondContact OD1-CB 3.42Å; D390-S392 PolarHBondContact OD1-N 3.41Å; D390-S392 PolarHBondContact OD1-OG 3.31Å; D390-G393 PolarHBondContact N-O 3.36Å; D390-G393 PolarHBondContact OD1-N 3.42Å; D390-Y395 WeakPolarHBondContact OD1-CE2 3.15Å; D390-Y395 VanDerWaalsContact OD2-CE2 3.24Å; D390-Y395 WeakPolarHBondContact OD2-CE2 3.3Å; D390-A414 WeakPolarHBondContact O-CB 3.26Å
391G78.3Confident92.1Very high12 Ų1229 Ų2912%0.12415%0.145CC..SBendtrans-63.4-19179.300000113.9V69V69-G391 WeakPolarHBondContact CB-O 3.28Å; V69-G391 VanDerWaalsContact CG1-O 3.28Å; V69-G391 WeakPolarHBondContact CG1-O 3.34Å
392S81.6Confident92Very high35 Ų3537.1 Ų37.125%0.24518%0.175CC..SBendtrans-96.9-27.3-174.181.10000113.9V69 D390 Y395V69-S392 VanDerWaalsContact CG1-CA 3.44Å; D390-S392 PolarHBondContact O-N 2.98Å; D390-S392 VanDerWaalsContact O-N 3.17Å; D390-S392 WeakPolarHBondContact OD1-CA 3.48Å; D390-S392 WeakPolarHBondContact OD1-CB 3.42Å; D390-S392 PolarHBondContact OD1-N 3.41Å; D390-S392 PolarHBondContact OD1-OG 3.31Å; S392-Y395 PolarHBondContact OG-OH 3.03Å
393G88.7Confident91.9Very high0 Ų040.8 Ų40.80%019%0.194CC..  trans174.4-168.2-176.200000114.4D390D390-G393 PolarHBondContact N-O 3.36Å; D390-G393 PolarHBondContact OD1-N 3.42Å
394L91.6Very high92Very high2 Ų237.1 Ų37.11%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-122.9128.7-174.6-174.4144.8000108L387 V389 S406 P407 L417 V422 I429 I431L387-L394 HydrophobicContact CD1-CD2 3.26Å; L387-L394 HydrophobicContact CD1-CG 3.69Å; L387-L394 HydrophobicContact CD2-CD1 3.88Å; L387-L394 HydrophobicContact CD2-CD2 4Å; L387-L394 HydrophobicContact CD2-CG 3.88Å; L387-L394 HydrophobicContact CG-CD2 4.04Å; L387-L394 HydrophobicContact CG-CG 3.98Å; V389-L394 HydrophobicContact CG2-CD1 3.89Å; V389-L394 HydrophobicContact CG2-CG 4.08Å; L394-S406 WeakPolarHBondContact O-CA 3.32Å; L394-P407 HydrophobicContact CD2-CB 4.21Å; L394-P407 HydrophobicContact CD2-CG 3.76Å; L394-L417 HydrophobicContact CD1-CD1 3.99Å; L394-V422 HydrophobicContact CD1-CG1 4.1Å; L394-V422 HydrophobicContact CD1-CG2 4.39Å; L394-I429 HydrophobicContact CD2-CD1 4.37Å; L394-I429 HydrophobicContact CD2-CG2 4.4Å; L394-I431 HydrophobicContact CD1-CD1 3.85Å; L394-I431 HydrophobicContact CD2-CD1 4.46Å
395Y93.8Very high92Very high32 Ų3231 Ų3113%0.12515%0.154CC..EExtended strand (participates in β ladder)trans-131.1127.3-169-60.1-81.8000110.6L387 L388 D390 S392 F397 L403L387-Y395 WeakPolarHBondContact CA-O 3.34Å; L387-Y395 WeakPolarHBondContact CD1-O 3.22Å; L388-Y395 HydrophobicContact CD2-CD2 4.49Å; L388-Y395 PolarHBondContact N-O 2.9Å; L388-Y395 PolarHBondContact O-N 2.84Å; D390-Y395 WeakPolarHBondContact OD1-CE2 3.15Å; D390-Y395 VanDerWaalsContact OD2-CE2 3.24Å; D390-Y395 WeakPolarHBondContact OD2-CE2 3.3Å; S392-Y395 PolarHBondContact OG-OH 3.03Å; Y395-F397 VanDerWaalsContact CB-CE2 3.45Å; Y395-F397 HydrophobicContact CG-CE2 4.38Å; Y395-L403 HydrophobicContact CD1-CD1 3.87Å; Y395-L403 HydrophobicContact CG-CD1 4.35Å
396T95.8Very high91.9Very high0 Ų033.3 Ų33.30%017%0.171CC..EExtended strand (participates in β ladder)trans-101125.6177-48.20000109.5H385 L387 T404 S405 I429 P445H385-T396 HydrophobicContact CB-CG2 4.21Å; L387-T396 WeakPolarHBondContact CD1-OG1 3.39Å; T396-T404 PolarHBondContact O-N 3.47Å; T396-S405 PolarHBondContact N-O 3.09Å; T396-S405 PolarHBondContact O-N 3.45Å; T396-S405 PolarHBondContact OG1-OG 3.15Å; T396-I429 WeakPolarHBondContact OG1-CD1 3.34Å; T396-P445 HydrophobicContact CG2-CB 3.96Å
397F95.8Very high91.7Very high21 Ų2133.3 Ų33.39%0.09217%0.171CC..EExtended strand (participates in β ladder)trans-121.3141.2-179.2-71.4-91000111F369 H385 F386 L388 Y395 R402 L403F369-F397 HydrophobicContact CD2-CE1 4.19Å; F369-F397 HydrophobicContact CE1-CD1 4.42Å; F369-F397 AromaticContact CE2-CD1 3.92Å; F369-F397 HydrophobicContact CE2-CD1 3.92Å; F369-F397 AromaticContact CE2-CE1 3.45Å; F369-F397 HydrophobicContact CE2-CE1 3.45Å; F369-F397 VanDerWaalsContact CE2-CE1 3.45Å; F369-F397 HydrophobicContact CE2-CE2 4.37Å; F369-F397 AromaticContact CE2-CZ 3.71Å; F369-F397 HydrophobicContact CE2-CZ 3.71Å; F369-F397 AromaticContact CZ-CD1 3.7Å; F369-F397 HydrophobicContact CZ-CD1 3.7Å; F369-F397 HydrophobicContact CZ-CD2 4.45Å; F369-F397 AromaticContact CZ-CE1 3.74Å; F369-F397 HydrophobicContact CZ-CE1 3.74Å; F369-F397 HydrophobicContact CZ-CE2 4.46Å; F369-F397 HydrophobicContact CZ-CG 4.08Å; F369-F397 HydrophobicContact CZ-CZ 4.14Å; H385-F397 WeakPolarHBondContact CA-O 3.22Å; H385-F397 WeakPolarHBondContact CB-O 3.37Å; F386-F397 HydrophobicContact CD1-CB 4.12Å; F386-F397 HydrophobicContact CD2-CB 4.3Å; F386-F397 HydrophobicContact CE1-CB 3.56Å; F386-F397 HydrophobicContact CE2-CB 3.77Å; F386-F397 HydrophobicContact CE2-CD2 4.06Å; F386-F397 HydrophobicContact CE2-CG 4.17Å; F386-F397 HydrophobicContact CG-CB 4.47Å; F386-F397 HydrophobicContact CZ-CB 3.37Å; F386-F397 HydrophobicContact CZ-CD2 4.34Å; F386-F397 AromaticContact CZ-CG 3.98Å; F386-F397 HydrophobicContact CZ-CG 3.98Å; F386-F397 PolarHBondContact N-O 3.01Å; F386-F397 PolarHBondContact O-N 3.19Å; L388-F397 HydrophobicContact CB-CD2 4.3Å; L388-F397 HydrophobicContact CB-CE2 4.24Å; Y395-F397 VanDerWaalsContact CB-CE2 3.45Å; Y395-F397 HydrophobicContact CG-CE2 4.38Å; F397-R402 WeakPolarHBondContact CA-O 3.29Å; F397-L403 HydrophobicContact CD1-CB 4.14Å; F397-L403 HydrophobicContact CD1-CD1 4.36Å; F397-L403 HydrophobicContact CD2-CD1 4.41Å; F397-L403 HydrophobicContact CE1-CB 3.8Å; F397-L403 HydrophobicContact CE1-CD1 3.96Å; F397-L403 HydrophobicContact CE1-CG 4.48Å; F397-L403 HydrophobicContact CE2-CD1 4.03Å; F397-L403 HydrophobicContact CZ-CB 4.42Å; F397-L403 HydrophobicContact CZ-CD1 3.78Å
398S95.6Very high91.3Very high21 Ų2139.5 Ų39.515%0.14720%0.198CC..EExtended strand (participates in β ladder)trans-69.3160.4162.170.50000110F386 E400 G401 R402F386-S398 WeakPolarHBondContact CE1-O 3.44Å; S398-E400 PolarHBondContact O-N 3.37Å; S398-E400 VanDerWaalsContact O-N 3.11Å; S398-E400 PolarHBondContact OG-N 2.75Å; S398-G401 WeakPolarHBondContact O-CA 3.3Å; S398-G401 PolarHBondContact O-N 3.49Å; S398-R402 PolarHBondContact N-O 3.43Å; S398-R402 PolarHBondContact OG-N 3.12Å
399Y95.3Very high91Very high27 Ų2741.3 Ų41.311%0.10621%0.206CC..THydrogen-bonded Turntrans-65.2-10.9172.4-69.2-66.1000113.7H346 V348 V357 A382 E383 F386 G401H346-Y399 HydrophobicContact CB-CD1 3.66Å; H346-Y399 HydrophobicContact CB-CE1 3.42Å; H346-Y399 VanDerWaalsContact CB-CE1 3.42Å; H346-Y399 HydrophobicContact CB-CG 4.49Å; H346-Y399 AromaticContact CD2-CD1 3.59Å; H346-Y399 AromaticContact CD2-CG 3.7Å; H346-Y399 AromaticContact CE1-CD2 3.78Å; H346-Y399 AromaticContact CE1-CG 3.83Å; H346-Y399 AromaticContact CG-CD1 3.4Å; H346-Y399 AromaticContact CG-CE1 3.53Å; H346-Y399 AromaticContact CG-CG 3.76Å; H346-Y399 AromaticContact CG-CZ 3.99Å; H346-Y399 AromaticContact ND1-CD1 3.84Å; H346-Y399 AromaticContact ND1-CD2 3.82Å; H346-Y399 AromaticContact ND1-CE1 3.83Å; H346-Y399 AromaticContact ND1-CE2 3.8Å; H346-Y399 AromaticContact ND1-CG 3.84Å; H346-Y399 AromaticContact ND1-CZ 3.8Å; H346-Y399 AromaticContact NE2-CG 3.77Å; V348-Y399 HydrophobicContact CG2-CE1 4.15Å; V357-Y399 HydrophobicContact CG1-CD1 3.86Å; A382-Y399 WeakPolarHBondContact O-CE2 3.39Å; A382-Y399 PolarHBondContact O-OH 2.85Å; E383-Y399 WeakPolarHBondContact O-CE2 3.41Å; F386-Y399 HydrophobicContact CB-CE1 4.15Å; F386-Y399 AromaticContact CD1-CD1 3.74Å; F386-Y399 HydrophobicContact CD1-CD1 3.74Å; F386-Y399 AromaticContact CD1-CE1 3.77Å; F386-Y399 HydrophobicContact CD1-CE1 3.77Å; F386-Y399 HydrophobicContact CD1-CG 4.49Å; F386-Y399 HydrophobicContact CE1-CD1 4.28Å; F386-Y399 HydrophobicContact CG-CE1 4.36Å; Y399-G401 PolarHBondContact O-N 2.92Å
400E91.7Very high90.6Very high157 Ų15749.5 Ų49.573%0.73425%0.248SC*.THydrogen-bonded Turntrans-84.78.8168.4-56.6169.8173.800112.4L367 S398 R402L367-E400 WeakPolarHBondContact CD2-O 3.44Å; S398-E400 PolarHBondContact O-N 3.37Å; S398-E400 VanDerWaalsContact O-N 3.11Å; S398-E400 PolarHBondContact OG-N 2.75Å; E400-R402 PolarHBondContact O-N 3.02Å
401G88.2Confident90.2Very high15 Ų1552 Ų5216%0.15528%0.276CS..  trans6816175.700000114.5S398 Y399S398-G401 WeakPolarHBondContact O-CA 3.3Å; S398-G401 PolarHBondContact O-N 3.49Å; Y399-G401 PolarHBondContact O-N 2.92Å
402R92.1Very high90.4Very high186 Ų18653.2 Ų53.270%0.70228%0.279SS*.  trans-81.9121.9173-176.8178.5173.5175.9-0.7109.4F397 S398 E400 T404F397-R402 WeakPolarHBondContact CA-O 3.29Å; S398-R402 PolarHBondContact N-O 3.43Å; S398-R402 PolarHBondContact OG-N 3.12Å; E400-R402 PolarHBondContact O-N 3.02Å; R402-T404 PolarHBondContact O-N 3.29Å; R402-T404 PolarHBondContact O-OG1 3.03Å
403L93.8Very high90.5Very high78 Ų7855.3 Ų55.341%0.40828%0.282SS..EExtended strand (participates in β ladder)trans-60.9119.2168.3-178.569.2000109.1Y395 F397Y395-L403 HydrophobicContact CD1-CD1 3.87Å; Y395-L403 HydrophobicContact CG-CD1 4.35Å; F397-L403 HydrophobicContact CD1-CB 4.14Å; F397-L403 HydrophobicContact CD1-CD1 4.36Å; F397-L403 HydrophobicContact CD2-CD1 4.41Å; F397-L403 HydrophobicContact CE1-CB 3.8Å; F397-L403 HydrophobicContact CE1-CD1 3.96Å; F397-L403 HydrophobicContact CE1-CG 4.48Å; F397-L403 HydrophobicContact CE2-CD1 4.03Å; F397-L403 HydrophobicContact CZ-CB 4.42Å; F397-L403 HydrophobicContact CZ-CD1 3.78Å
404T93.6Very high90.3Very high42 Ų4255.5 Ų55.526%0.25828%0.283SS..EExtended strand (participates in β ladder)trans-96.3-49.9-176.9-54.30000110.4T396 R402 M446T396-T404 PolarHBondContact O-N 3.47Å; R402-T404 PolarHBondContact O-N 3.29Å; R402-T404 PolarHBondContact O-OG1 3.03Å; T404-M446 HydrophobicContact CG2-CB 4.46Å; T404-M446 HydrophobicContact CG2-CE 3.76Å; T404-M446 HydrophobicContact CG2-SD 3.74Å
405S94.3Very high89.8Confident9 Ų958.8 Ų58.86%0.06330%0.3CS..EExtended strand (participates in β ladder)trans-152.7165.3178.1730000112.8T396 P445T396-S405 PolarHBondContact N-O 3.09Å; T396-S405 PolarHBondContact O-N 3.45Å; T396-S405 PolarHBondContact OG1-OG 3.15Å; S405-P445 WeakPolarHBondContact CB-O 3.42Å; S405-P445 PolarHBondContact OG-O 3.36Å
406S93.1Very high89.3Confident53 Ų5357.5 Ų57.537%0.37130%0.296SS..  trans-136.485.917267.90000109.9L394L394-S406 WeakPolarHBondContact O-CA 3.32Å
407P91.3Very high88.9Confident0 Ų057.9 Ų57.90%030%0.298CS..  trans-57.4137177.9-21.131.1000111.7L394 I429 F443L394-P407 HydrophobicContact CD2-CB 4.21Å; L394-P407 HydrophobicContact CD2-CG 3.76Å; P407-I429 HydrophobicContact CG-CD1 3.81Å; P407-F443 HydrophobicContact CB-CB 4.13Å; P407-F443 HydrophobicContact CB-CD1 3.91Å; P407-F443 HydrophobicContact CB-CD2 4.24Å; P407-F443 HydrophobicContact CB-CE1 4.39Å; P407-F443 HydrophobicContact CB-CG 3.83Å; P407-F443 HydrophobicContact CG-CB 4.26Å; P407-F443 HydrophobicContact CG-CG 4.48Å
408K88.5Confident88.6Confident131 Ų13157.5 Ų57.557%0.5730%0.298SS*.  trans-143.6145.2176.3-65.4-170.4178.7-167.90110.2M412K408-M412 HydrophobicContact CG-CE 4.06Å
409F87.4Confident88.2Confident40 Ų4059 Ų5918%0.17531%0.312CS..  trans-140.7166.6173.959.2-86.2000111.1G411 M412 I431 L441 F443F409-G411 PolarHBondContact O-N 2.84Å; F409-M412 HydrophobicContact CD1-CB 4.07Å; F409-M412 HydrophobicContact CD1-CG 4.11Å; F409-M412 HydrophobicContact CD1-SD 3.94Å; F409-M412 HydrophobicContact CD2-CB 4.09Å; F409-M412 HydrophobicContact CE1-CB 3.87Å; F409-M412 HydrophobicContact CE1-CG 3.55Å; F409-M412 HydrophobicContact CE1-SD 3.69Å; F409-M412 HydrophobicContact CE2-CB 3.9Å; F409-M412 HydrophobicContact CE2-CG 4.31Å; F409-M412 HydrophobicContact CG-CB 4.17Å; F409-M412 HydrophobicContact CZ-CB 3.78Å; F409-M412 HydrophobicContact CZ-CG 3.68Å; F409-M412 HydrophobicContact CZ-SD 4.43Å; F409-M412 WeakPolarHBondContact O-CB 3.41Å; F409-M412 PolarHBondContact O-N 2.94Å; F409-I431 HydrophobicContact CE1-CD1 4.12Å; F409-I431 HydrophobicContact CE1-CG2 3.95Å; F409-I431 HydrophobicContact CZ-CG2 4.04Å; F409-L441 HydrophobicContact CB-CD1 4.21Å; F409-L441 HydrophobicContact CD1-CD1 3.85Å; F409-L441 HydrophobicContact CD2-CD1 3.46Å; F409-L441 VanDerWaalsContact CD2-CD1 3.46Å; F409-L441 HydrophobicContact CE1-CD1 4.02Å; F409-L441 HydrophobicContact CE2-CD1 3.64Å; F409-L441 HydrophobicContact CG-CD1 3.57Å; F409-L441 HydrophobicContact CZ-CD1 3.91Å; F409-F443 HydrophobicContact CB-CZ 4.12Å; F409-F443 HydrophobicContact CD1-CE2 4.14Å; F409-F443 AromaticContact CD1-CZ 3.81Å; F409-F443 HydrophobicContact CD1-CZ 3.81Å; F409-F443 HydrophobicContact CG-CZ 4.33Å
410L83.9Confident87.9Confident171 Ų17160.9 Ų60.990%0.89532%0.321SS*.THydrogen-bonded Turntrans-63.2129.1-178-166.497000110M412L410-M412 VanDerWaalsContact C-N 3.3Å; L410-M412 PolarHBondContact O-N 2.94Å
411G79.4Confident87.8Confident60 Ų6053.4 Ų53.462%0.61929%0.286SS*.THydrogen-bonded Turntrans78.66.6177.800000115.4F409 R413F409-G411 PolarHBondContact O-N 2.84Å; G411-R413 PolarHBondContact O-N 3.32Å
412M84.2Confident88.1Confident38 Ų3852.7 Ų52.719%0.18728%0.279CS..  trans-58.3122.8179.4-174179.179.100112.2K408 F409 L410K408-M412 HydrophobicContact CG-CE 4.06Å; F409-M412 HydrophobicContact CD1-CB 4.07Å; F409-M412 HydrophobicContact CD1-CG 4.11Å; F409-M412 HydrophobicContact CD1-SD 3.94Å; F409-M412 HydrophobicContact CD2-CB 4.09Å; F409-M412 HydrophobicContact CE1-CB 3.87Å; F409-M412 HydrophobicContact CE1-CG 3.55Å; F409-M412 HydrophobicContact CE1-SD 3.69Å; F409-M412 HydrophobicContact CE2-CB 3.9Å; F409-M412 HydrophobicContact CE2-CG 4.31Å; F409-M412 HydrophobicContact CG-CB 4.17Å; F409-M412 HydrophobicContact CZ-CB 3.78Å; F409-M412 HydrophobicContact CZ-CG 3.68Å; F409-M412 HydrophobicContact CZ-SD 4.43Å; F409-M412 WeakPolarHBondContact O-CB 3.41Å; F409-M412 PolarHBondContact O-N 2.94Å; L410-M412 VanDerWaalsContact C-N 3.3Å; L410-M412 PolarHBondContact O-N 2.94Å
413R82.8Confident88.3Confident79 Ų7944.6 Ų44.630%0.29825%0.251SS..  trans-111100.8167.9-67.8-140.8-57-153.22109.3P157 G411 D415 I416P157-R413 PolarHBondContact O-NH2 2.9Å; G411-R413 PolarHBondContact O-N 3.32Å; R413-D415 WeakPolarHBondContact CB-OD1 3.32Å; R413-I416 HydrophobicContact CB-CD1 3.85Å; R413-I416 HydrophobicContact CB-CG1 3.73Å; R413-I416 VanDerWaalsContact O-CG1 3.31Å; R413-I416 WeakPolarHBondContact O-CG1 3.49Å
414A84.5Confident88.4Confident3 Ų341.1 Ų41.13%0.02523%0.233CC..G310 helixtrans-75.9-26.7-174.500000113V389 D390 I416 L417V389-A414 HydrophobicContact CG1-CB 4.23Å; V389-A414 WeakPolarHBondContact CG1-O 3.3Å; D390-A414 WeakPolarHBondContact O-CB 3.26Å; A414-I416 PolarHBondContact O-N 2.96Å; A414-L417 HydrophobicContact CB-CD1 4.39Å; A414-L417 PolarHBondContact O-N 2.88Å
415D80Confident88.5Confident71 Ų7139.1 Ų39.138%0.3822%0.221SC..G310 helixtrans-62-24.4178.359.1-49.7000113.8R413R413-D415 WeakPolarHBondContact CB-OD1 3.32Å
416I83.9Confident88.4Confident5 Ų539.8 Ų39.83%0.02622%0.223CC..G310 helixtrans-104.86.8-179.963.2168.4000114.1R413 A414 S418 K434R413-I416 HydrophobicContact CB-CD1 3.85Å; R413-I416 HydrophobicContact CB-CG1 3.73Å; R413-I416 VanDerWaalsContact O-CG1 3.31Å; R413-I416 WeakPolarHBondContact O-CG1 3.49Å; A414-I416 PolarHBondContact O-N 2.96Å; I416-S418 PolarHBondContact O-N 2.95Å; I416-K434 HydrophobicContact CD1-CB 3.69Å; I416-K434 HydrophobicContact CD1-CD 4.44Å; I416-K434 HydrophobicContact CD1-CG 3.72Å; I416-K434 HydrophobicContact CG1-CG 4.27Å
417L88.3Confident88.4Confident8 Ų838.6 Ų38.64%0.04221%0.213CC..  trans-77121.9179-66.2178.2000110.5V389 L394 A414 V422 I431V389-L417 HydrophobicContact CG1-CB 4.29Å; V389-L417 HydrophobicContact CG1-CD1 4.19Å; L394-L417 HydrophobicContact CD1-CD1 3.99Å; A414-L417 HydrophobicContact CB-CD1 4.39Å; A414-L417 PolarHBondContact O-N 2.88Å; L417-V422 HydrophobicContact CB-CG2 3.96Å; L417-V422 HydrophobicContact CD1-CG2 4.05Å; L417-V422 HydrophobicContact CD2-CG2 4Å; L417-V422 HydrophobicContact CG-CG2 4.22Å; L417-I431 HydrophobicContact CD2-CG2 4.14Å
418S87.9Confident88.6Confident13 Ų1338.6 Ų38.69%0.09121%0.213CC..  trans-107.2168.5175.874.30000111.9I416 Q420 A421 V422I416-S418 PolarHBondContact O-N 2.95Å; S418-Q420 PolarHBondContact O-N 2.93Å; S418-Q420 VanDerWaalsContact O-N 3.15Å; S418-Q420 PolarHBondContact OG-N 2.72Å; S418-A421 PolarHBondContact O-N 2.89Å; S418-V422 PolarHBondContact O-N 2.93Å; S418-V422 VanDerWaalsContact O-N 3.13Å
419A88.1Confident88.9Confident54 Ų5432.4 Ų32.445%0.44619%0.186SC..THydrogen-bonded Turntrans-60.4-19.9173.900000113.8L378L378-A419 HydrophobicContact CD1-CB 3.96Å
420Q88.6Confident89.3Confident65 Ų6530.5 Ų30.530%0.30418%0.177SC..THydrogen-bonded Turntrans-82.5-23.6174.9-66.4174.8-28.100112.6S418 E465 V466S418-Q420 PolarHBondContact O-N 2.93Å; S418-Q420 VanDerWaalsContact O-N 3.15Å; S418-Q420 PolarHBondContact OG-N 2.72Å; Q420-E465 HydrophobicContact CB-CB 4.45Å; Q420-E465 HydrophobicContact CB-CG 4.12Å; Q420-E465 HydrophobicContact CG-CG 4.16Å; Q420-E465 WeakPolarHBondContact O-CA 3.4Å; Q420-V466 PolarHBondContact O-N 3.23Å; Q420-V466 VanDerWaalsContact O-N 3.1Å
421A90.9Very high89.8Confident0 Ų022.3 Ų22.30%014%0.135CC..THydrogen-bonded Turntrans-92.8-25.7-177.800000112.7S418 I431 R432S418-A421 PolarHBondContact O-N 2.89Å; A421-I431 CarbonylContact O-C 3.52Å; A421-I431 WeakPolarHBondContact O-CA 3.22Å; A421-R432 HydrophobicContact CB-CB 4.36Å; A421-R432 PolarHBondContact O-N 2.85Å
422V94.6Very high90.4Very high1 Ų119.9 Ų19.91%0.00611%0.107CC..EExtended strand (participates in β ladder)trans-121.7130.4-176.9-175.40000109.6L378 L380 L387 L394 L417 S418 I429 A430 I431L378-V422 HydrophobicContact CD2-CB 4.43Å; L380-V422 HydrophobicContact CD1-CB 4.14Å; L380-V422 HydrophobicContact CD1-CG1 3.87Å; L380-V422 VanDerWaalsContact CD1-O 3.26Å; L380-V422 WeakPolarHBondContact CD1-O 3.49Å; L387-V422 HydrophobicContact CD2-CG1 3.65Å; L394-V422 HydrophobicContact CD1-CG1 4.1Å; L394-V422 HydrophobicContact CD1-CG2 4.39Å; L417-V422 HydrophobicContact CB-CG2 3.96Å; L417-V422 HydrophobicContact CD1-CG2 4.05Å; L417-V422 HydrophobicContact CD2-CG2 4Å; L417-V422 HydrophobicContact CG-CG2 4.22Å; S418-V422 PolarHBondContact O-N 2.93Å; S418-V422 VanDerWaalsContact O-N 3.13Å; V422-I429 HydrophobicContact CG1-CG2 4.41Å; V422-A430 WeakPolarHBondContact CA-O 3.37Å; V422-I431 HydrophobicContact CG1-CG1 4.35Å; V422-I431 HydrophobicContact CG2-CG1 4.41Å; V422-I431 HydrophobicContact CG2-CG2 4.37Å
423S95.8Very high90.7Very high15 Ų1519.1 Ų19.111%0.10510%0.104CC..EExtended strand (participates in β ladder)trans-126.7144.7171.5-173.80000110.4A430 L468S423-A430 PolarHBondContact N-O 3Å; S423-A430 PolarHBondContact O-N 3.35Å; S423-L468 WeakPolarHBondContact O-CD1 3.26Å; S423-L468 WeakPolarHBondContact OG-CB 3.41Å; S423-L468 PolarHBondContact OG-N 2.91Å
424L95.9Very high90.7Very high6 Ų617.4 Ų17.43%0.03110%0.098CC..EExtended strand (participates in β ladder)trans-117.7140.8179.3-175.568.9000110.5L380 A382 L387 I429 Q470L380-L424 HydrophobicContact CB-CB 4.17Å; L380-L424 HydrophobicContact CB-CD2 4.35Å; L380-L424 HydrophobicContact CD1-CB 4.49Å; A382-L424 HydrophobicContact CB-CD2 3.84Å; A382-L424 HydrophobicContact CB-CG 3.92Å; L387-L424 HydrophobicContact CB-CD1 4.28Å; L387-L424 HydrophobicContact CB-CD2 3.84Å; L424-I429 HydrophobicContact CD1-CD1 4.34Å; L424-I429 HydrophobicContact CD1-CG1 3.6Å; L424-Q470 PolarHBondContact O-NE2 3.06Å
425S95Very high90.6Very high0 Ų021.8 Ų21.80%013%0.129CC..  trans-134.9178.3163.176.30000109.7H385 D427 T428 D469 R477H385-S425 PolarHBondContact CE1-O 2.8Å; H385-S425 PolarHBondContact NE2-O 3.29Å; S425-D427 PolarHBondContact O-N 2.9Å; S425-D427 PolarHBondContact OG-N 2.79Å; S425-D427 PolarHBondContact OG-OD1 3.04Å; S425-D427 VanDerWaalsContact OG-OD1 3.09Å; S425-T428 PolarHBondContact N-O 2.81Å; S425-T428 WeakPolarHBondContact OG-CB 3.27Å; S425-T428 PolarHBondContact OG-N 2.69Å; S425-T428 VanDerWaalsContact OG-N 3.11Å; S425-T428 PolarHBondContact OG-O 2.85Å; S425-D469 WeakPolarHBondContact CB-O 3.34Å; S425-R477 PolarHBondContact OG-NE 2.77Å
426N92.9Very high91Very high23 Ų2321.8 Ų21.812%0.12313%0.129CC..SBendtrans-60.2-16.8179.8-78.8-23000115.9E383 K384 H385E383-N426 VanDerWaalsContact CB-OD1 3.32Å; E383-N426 WeakPolarHBondContact CB-OD1 3.27Å; E383-N426 PolarHBondContact N-OD1 2.96Å; E383-N426 VanDerWaalsContact N-OD1 3.14Å; E383-N426 PolarHBondContact OE2-ND2 3.24Å; K384-N426 HydrophobicContact CD-CB 4.43Å; K384-N426 PolarHBondContact N-OD1 2.84Å; K384-N426 VanDerWaalsContact N-OD1 3.15Å; H385-N426 PolarHBondContact CE1-O 2.92Å; H385-N426 VanDerWaalsContact CE1-O 3.31Å
427D92.9Very high91.2Very high28 Ų2824.1 Ų24.115%0.1514%0.139CC..SBendtrans-141.1-3.7-17351.734.8000113.9S425 P445 S474 R477S425-D427 PolarHBondContact O-N 2.9Å; S425-D427 PolarHBondContact OG-N 2.79Å; S425-D427 PolarHBondContact OG-OD1 3.04Å; S425-D427 VanDerWaalsContact OG-OD1 3.09Å; D427-P445 WeakPolarHBondContact O-CD 3.2Å; D427-S474 WeakPolarHBondContact OD2-CA 3.31Å; D427-S474 WeakPolarHBondContact OD2-CB 3.37Å; D427-S474 PolarHBondContact OD2-N 3.36Å; D427-R477 IonicContact OD1-CZ 2.67Å; D427-R477 IonicContact OD1-NE 2.72Å; D427-R477 PolarHBondContact OD1-NE 2.93Å; D427-R477 IonicContact OD1-NH2 3.33Å; D427-R477 IonicContact OD2-CZ 2.8Å; D427-R477 IonicContact OD2-NE 3.27Å; D427-R477 PolarHBondContact OD2-NE 2.73Å; D427-R477 IonicContact OD2-NH2 2.73Å; D427-R477 PolarHBondContact OD2-NH2 2.92Å
428T94.7Very high91.4Very high0 Ų027.4 Ų27.40%015%0.153CC..  trans-143.1136.7-174.4-53.80000110.5S425 F442 F443 L451 L468 V493S425-T428 PolarHBondContact N-O 2.81Å; S425-T428 WeakPolarHBondContact OG-CB 3.27Å; S425-T428 PolarHBondContact OG-N 2.69Å; S425-T428 VanDerWaalsContact OG-N 3.11Å; S425-T428 PolarHBondContact OG-O 2.85Å; T428-F442 HydrophobicContact CG2-CD1 3.93Å; T428-F443 CarbonylContact C-O 3.54Å; T428-F443 WeakPolarHBondContact CA-O 3.41Å; T428-L451 HydrophobicContact CG2-CD1 3.98Å; T428-L468 HydrophobicContact CG2-CD1 3.9Å; T428-L468 HydrophobicContact CG2-CD2 4.03Å; T428-L468 VanDerWaalsContact O-CD1 3.27Å; T428-L468 WeakPolarHBondContact O-CD1 3.46Å; T428-V493 HydrophobicContact CG2-CG1 3.6Å; T428-V493 HydrophobicContact CG2-CG2 4.19Å
429I95.5Very high91.7Very high0 Ų027.5 Ų27.50%015%0.153CC..EExtended strand (participates in β ladder)trans-110.8123.6162.9-60165.8000107L387 L394 T396 P407 V422 L424 I431 F442 F443 P445L387-I429 HydrophobicContact CD1-CD1 4.1Å; L394-I429 HydrophobicContact CD2-CD1 4.37Å; L394-I429 HydrophobicContact CD2-CG2 4.4Å; T396-I429 WeakPolarHBondContact OG1-CD1 3.34Å; P407-I429 HydrophobicContact CG-CD1 3.81Å; V422-I429 HydrophobicContact CG1-CG2 4.41Å; L424-I429 HydrophobicContact CD1-CD1 4.34Å; L424-I429 HydrophobicContact CD1-CG1 3.6Å; I429-I431 HydrophobicContact CG2-CD1 4.15Å; I429-I431 HydrophobicContact CG2-CG1 3.9Å; I429-F442 CarbonylContact O-C 3.58Å; I429-F442 WeakPolarHBondContact O-CA 3.29Å; I429-F443 HydrophobicContact CB-CB 4.3Å; I429-F443 PolarHBondContact N-O 2.94Å; I429-F443 PolarHBondContact O-N 3.28Å; I429-P445 HydrophobicContact CD1-CB 3.88Å; I429-P445 HydrophobicContact CG1-CB 4.02Å
430A95.2Very high92Very high0 Ų024.9 Ų24.90%013%0.132CC..EExtended strand (participates in β ladder)trans-106.3128.9173.400000109.4V422 S423 I440 L441 F442 L468 I479V422-A430 WeakPolarHBondContact CA-O 3.37Å; S423-A430 PolarHBondContact N-O 3Å; S423-A430 PolarHBondContact O-N 3.35Å; A430-I440 HydrophobicContact CB-CG2 4.33Å; A430-L441 CarbonylContact C-O 3.51Å; A430-L441 WeakPolarHBondContact CA-O 3.48Å; A430-F442 HydrophobicContact CB-CD1 3.92Å; A430-F442 HydrophobicContact CB-CE1 3.87Å; A430-L468 HydrophobicContact CB-CD1 3.87Å; A430-L468 HydrophobicContact CB-CD2 4.24Å; A430-L468 HydrophobicContact CB-CG 4Å; A430-I479 HydrophobicContact CB-CD1 3.73Å
431I94.6Very high92.2Very high0 Ų023.1 Ų23.10%013%0.125CC..EExtended strand (participates in β ladder)trans-127.6121178.9-55.5177000108.2L394 F409 L417 A421 V422 I429 L441 F443L394-I431 HydrophobicContact CD1-CD1 3.85Å; L394-I431 HydrophobicContact CD2-CD1 4.46Å; F409-I431 HydrophobicContact CE1-CD1 4.12Å; F409-I431 HydrophobicContact CE1-CG2 3.95Å; F409-I431 HydrophobicContact CZ-CG2 4.04Å; L417-I431 HydrophobicContact CD2-CG2 4.14Å; A421-I431 CarbonylContact O-C 3.52Å; A421-I431 WeakPolarHBondContact O-CA 3.22Å; V422-I431 HydrophobicContact CG1-CG1 4.35Å; V422-I431 HydrophobicContact CG2-CG1 4.41Å; V422-I431 HydrophobicContact CG2-CG2 4.37Å; I429-I431 HydrophobicContact CG2-CD1 4.15Å; I429-I431 HydrophobicContact CG2-CG1 3.9Å; I431-L441 PolarHBondContact N-O 3.47Å; I431-L441 PolarHBondContact O-N 2.99Å; I431-F443 HydrophobicContact CD1-CD2 4.05Å; I431-F443 HydrophobicContact CD1-CE2 3.92Å; I431-F443 HydrophobicContact CG1-CD2 4.47Å; I431-F443 HydrophobicContact CG1-CE2 4.45Å
432R93.1Very high92.3Very high9 Ų923.5 Ų23.53%0.03413%0.126CC..EExtended strand (participates in β ladder)trans-72.7123.4166.1-178.8-173.861.4-174.6-12.2108.8A421 K434 V463 L464A421-R432 HydrophobicContact CB-CB 4.36Å; A421-R432 PolarHBondContact O-N 2.85Å; R432-K434 PolarHBondContact O-N 3.43Å; R432-V463 WeakPolarHBondContact CD-O 3.39Å; R432-V463 PolarHBondContact NH1-O 3.43Å; R432-L464 VanDerWaalsContact NH1-C 3.27Å; R432-L464 VanDerWaalsContact NH1-CA 3.34Å; R432-L464 PolarHBondContact NH1-O 3.24Å
433D89.1Confident92.3Very high22 Ų2223.8 Ų23.812%0.11813%0.128CC..  trans-69.2129.3174.3-166.3-19.2000109.5S435 D436 E437 V439 L441D433-S435 WeakPolarHBondContact OD1-CB 3.13Å; D433-S435 PolarHBondContact OD1-N 3.38Å; D433-S435 PolarHBondContact OD1-OG 3.08Å; D433-S435 PolarHBondContact OD2-OG 2.74Å; D433-D436 CarbonylContact O-C 3.57Å; D433-D436 VanDerWaalsContact O-C 3.22Å; D433-D436 VanDerWaalsContact O-O 3.05Å; D433-E437 WeakPolarHBondContact O-CA 3.04Å; D433-E437 PolarHBondContact O-N 2.89Å; D433-V439 HydrophobicContact CB-CB 4.25Å; D433-V439 PolarHBondContact N-O 2.8Å; D433-L441 HydrophobicContact CB-CD1 4.37Å
434K83.2Confident92.2Very high42 Ų4225 Ų2518%0.18313%0.132CC..SBendtrans-82.3-19.5177.9-80.1-68.8-165.6173.50112.8I416 R432 E437I416-K434 HydrophobicContact CD1-CB 3.69Å; I416-K434 HydrophobicContact CD1-CD 4.44Å; I416-K434 HydrophobicContact CD1-CG 3.72Å; I416-K434 HydrophobicContact CG1-CG 4.27Å; R432-K434 PolarHBondContact O-N 3.43Å; K434-E437 IonicContact NZ-OE1 3.83Å; K434-E437 PolarHBondContact NZ-OE1 3.06Å
435S83.4Confident92.1Very high95 Ų9524.7 Ų24.766%0.66413%0.131SC*.SBendtrans-76.1-31174.468.70000112.4D433D433-S435 WeakPolarHBondContact OD1-CB 3.13Å; D433-S435 PolarHBondContact OD1-N 3.38Å; D433-S435 PolarHBondContact OD1-OG 3.08Å; D433-S435 PolarHBondContact OD2-OG 2.74Å
436D88Confident91.9Very high71 Ų7130 Ų3038%0.3816%0.157SC..SBendtrans-137.796.5169.8-173.5-9.4000109.5D433 K438 V439D433-D436 CarbonylContact O-C 3.57Å; D433-D436 VanDerWaalsContact O-C 3.22Å; D433-D436 VanDerWaalsContact O-O 3.05Å; D436-K438 PolarHBondContact O-N 3.33Å; D436-K438 WeakPolarHBondContact OD1-CB 3.46Å; D436-K438 WeakPolarHBondContact OD1-CG 3.25Å; D436-K438 PolarHBondContact OD1-N 3.3Å; D436-V439 HydrophobicContact CB-CB 4.39Å; D436-V439 HydrophobicContact CB-CG2 3.9Å; D436-V439 WeakPolarHBondContact O-CB 3.34Å; D436-V439 PolarHBondContact O-N 2.66Å; D436-V439 WeakPolarHBondContact OD2-CG2 3.42Å
437E87.8Confident91.8Very high54 Ų5432.6 Ų32.625%0.25217%0.174SC..THydrogen-bonded Turntrans-65.2-2.3-175.3-59.9-164.2136.800114.1D433 K434 E462 V463D433-E437 WeakPolarHBondContact O-CA 3.04Å; D433-E437 PolarHBondContact O-N 2.89Å; K434-E437 IonicContact NZ-OE1 3.83Å; K434-E437 PolarHBondContact NZ-OE1 3.06Å; E437-E462 HydrophobicContact CB-CB 4.18Å; E437-E462 HydrophobicContact CB-CG 4.21Å; E437-V463 PolarHBondContact O-N 2.94Å
438K93.3Very high91.6Very high77 Ų7732 Ų3234%0.33517%0.174SC..THydrogen-bonded Turntrans-84.7-15.2171.6-55.3-176.7-178.8174.20112.8D436 T458 H459 E462D436-K438 PolarHBondContact O-N 3.33Å; D436-K438 WeakPolarHBondContact OD1-CB 3.46Å; D436-K438 WeakPolarHBondContact OD1-CG 3.25Å; D436-K438 PolarHBondContact OD1-N 3.3Å; K438-T458 HydrophobicContact CB-CG2 4.49Å; K438-H459 PolarHBondContact O-N 2.91Å; K438-E462 HydrophobicContact CG-CG 4.35Å
439V92.9Very high91.5Very high15 Ų1538.8 Ų38.89%0.09120%0.204CC..EExtended strand (participates in β ladder)trans-103.2130.7-168.3-178.60000110.3D433 D436 P456 L457 T458D433-V439 HydrophobicContact CB-CB 4.25Å; D433-V439 PolarHBondContact N-O 2.8Å; D436-V439 HydrophobicContact CB-CB 4.39Å; D436-V439 HydrophobicContact CB-CG2 3.9Å; D436-V439 WeakPolarHBondContact O-CB 3.34Å; D436-V439 PolarHBondContact O-N 2.66Å; D436-V439 WeakPolarHBondContact OD2-CG2 3.42Å; V439-P456 HydrophobicContact CG1-CB 3.47Å; V439-P456 VanDerWaalsContact CG1-CB 3.47Å; V439-P456 HydrophobicContact CG1-CG 3.93Å; V439-L457 CarbonylContact C-O 3.51Å; V439-L457 WeakPolarHBondContact CA-O 3.36Å; V439-T458 HydrophobicContact CG2-CG2 4.4Å
440I94.1Very high91.2Very high0 Ų042.4 Ų42.40%023%0.227CC..EExtended strand (participates in β ladder)trans-118.6125.1175.7-57.7164000108.4A430 F442 L457 V463 V466 I479 L481A430-I440 HydrophobicContact CB-CG2 4.33Å; I440-F442 HydrophobicContact CG2-CD1 4.5Å; I440-F442 HydrophobicContact CG2-CE1 3.92Å; I440-F442 HydrophobicContact CG2-CZ 4Å; I440-L457 HydrophobicContact CB-CB 4.24Å; I440-L457 HydrophobicContact CB-CD2 4.4Å; I440-L457 HydrophobicContact CD1-CD2 3.94Å; I440-L457 PolarHBondContact N-O 3.05Å; I440-L457 PolarHBondContact O-N 3Å; I440-V463 HydrophobicContact CD1-CG1 4.4Å; I440-V463 HydrophobicContact CD1-CG2 4.27Å; I440-V466 HydrophobicContact CD1-CG1 3.72Å; I440-V466 HydrophobicContact CG1-CG1 4.12Å; I440-I479 HydrophobicContact CG2-CD1 4.2Å; I440-L481 HydrophobicContact CD1-CD2 4.18Å
441L93.4Very high90.8Very high28 Ų2843.8 Ų43.815%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-101.2137.5179.3-64.1163.6000109.7F409 A430 I431 D433 F443 P456F409-L441 HydrophobicContact CB-CD1 4.21Å; F409-L441 HydrophobicContact CD1-CD1 3.85Å; F409-L441 HydrophobicContact CD2-CD1 3.46Å; F409-L441 VanDerWaalsContact CD2-CD1 3.46Å; F409-L441 HydrophobicContact CE1-CD1 4.02Å; F409-L441 HydrophobicContact CE2-CD1 3.64Å; F409-L441 HydrophobicContact CG-CD1 3.57Å; F409-L441 HydrophobicContact CZ-CD1 3.91Å; A430-L441 CarbonylContact C-O 3.51Å; A430-L441 WeakPolarHBondContact CA-O 3.48Å; I431-L441 PolarHBondContact N-O 3.47Å; I431-L441 PolarHBondContact O-N 2.99Å; D433-L441 HydrophobicContact CB-CD1 4.37Å; L441-F443 HydrophobicContact CB-CE2 3.63Å; L441-F443 HydrophobicContact CB-CZ 4.11Å; L441-P456 HydrophobicContact CD2-CB 3.82Å
442F93.9Very high89.7Confident8 Ų844.9 Ų44.94%0.03524%0.242CC..EExtended strand (participates in β ladder)trans-114.8136.1178.1-61.7-63.3000110.8T428 I429 A430 I440 P450 L451 L457 I479 V493T428-F442 HydrophobicContact CG2-CD1 3.93Å; I429-F442 CarbonylContact O-C 3.58Å; I429-F442 WeakPolarHBondContact O-CA 3.29Å; A430-F442 HydrophobicContact CB-CD1 3.92Å; A430-F442 HydrophobicContact CB-CE1 3.87Å; I440-F442 HydrophobicContact CG2-CD1 4.5Å; I440-F442 HydrophobicContact CG2-CE1 3.92Å; I440-F442 HydrophobicContact CG2-CZ 4Å; F442-P450 CarbonylContact O-C 3.51Å; F442-P450 VanDerWaalsContact O-CA 3.24Å; F442-P450 WeakPolarHBondContact O-CA 3.39Å; F442-L451 HydrophobicContact CB-CB 3.85Å; F442-L451 HydrophobicContact CB-CD1 4.22Å; F442-L451 PolarHBondContact O-N 3.36Å; F442-L457 HydrophobicContact CE2-CB 3.69Å; F442-L457 HydrophobicContact CE2-CD2 4.17Å; F442-L457 HydrophobicContact CZ-CB 4.19Å; F442-L457 HydrophobicContact CZ-CD2 3.88Å; F442-I479 HydrophobicContact CE1-CD1 3.85Å; F442-I479 HydrophobicContact CE1-CG2 4.43Å; F442-I479 HydrophobicContact CZ-CD1 4.3Å; F442-I479 HydrophobicContact CZ-CG2 4.15Å; F442-V493 HydrophobicContact CB-CG1 4.39Å; F442-V493 HydrophobicContact CD1-CG1 3.89Å; F442-V493 HydrophobicContact CD1-CG2 4.44Å; F442-V493 HydrophobicContact CD2-CG1 4.31Å; F442-V493 HydrophobicContact CE1-CG1 4.19Å; F442-V493 HydrophobicContact CE1-CG2 4.03Å; F442-V493 HydrophobicContact CG-CG1 3.96Å; F442-V493 HydrophobicContact CZ-CG2 4.4Å
443F94Very high88.5Confident7 Ų751.3 Ų51.33%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-132.1148.4176.6-57.8-91.7000111.2P407 F409 T428 I429 I431 L441 K449 P450P407-F443 HydrophobicContact CB-CB 4.13Å; P407-F443 HydrophobicContact CB-CD1 3.91Å; P407-F443 HydrophobicContact CB-CD2 4.24Å; P407-F443 HydrophobicContact CB-CE1 4.39Å; P407-F443 HydrophobicContact CB-CG 3.83Å; P407-F443 HydrophobicContact CG-CB 4.26Å; P407-F443 HydrophobicContact CG-CG 4.48Å; F409-F443 HydrophobicContact CB-CZ 4.12Å; F409-F443 HydrophobicContact CD1-CE2 4.14Å; F409-F443 AromaticContact CD1-CZ 3.81Å; F409-F443 HydrophobicContact CD1-CZ 3.81Å; F409-F443 HydrophobicContact CG-CZ 4.33Å; T428-F443 CarbonylContact C-O 3.54Å; T428-F443 WeakPolarHBondContact CA-O 3.41Å; I429-F443 HydrophobicContact CB-CB 4.3Å; I429-F443 PolarHBondContact N-O 2.94Å; I429-F443 PolarHBondContact O-N 3.28Å; I431-F443 HydrophobicContact CD1-CD2 4.05Å; I431-F443 HydrophobicContact CD1-CE2 3.92Å; I431-F443 HydrophobicContact CG1-CD2 4.47Å; I431-F443 HydrophobicContact CG1-CE2 4.45Å; L441-F443 HydrophobicContact CB-CE2 3.63Å; L441-F443 HydrophobicContact CB-CZ 4.11Å; F443-K449 WeakPolarHBondContact CA-O 3.28Å; F443-P450 HydrophobicContact CD1-CB 4.22Å; F443-P450 HydrophobicContact CE1-CB 4.15Å
444D93.4Very high87.8Confident39 Ų3952.2 Ų52.221%0.20929%0.291CS..  trans-77.6122.1168.3169.510.2000109.1M446 T447 G448 K449 L451D444-M446 PolarHBondContact O-N 2.84Å; D444-M446 WeakPolarHBondContact OD1-CB 3.45Å; D444-M446 PolarHBondContact OD1-N 2.74Å; D444-T447 WeakPolarHBondContact CB-OG1 3.44Å; D444-T447 PolarHBondContact O-N 3.38Å; D444-T447 WeakPolarHBondContact OD2-CB 3.35Å; D444-T447 VanDerWaalsContact OD2-CG2 3.25Å; D444-T447 WeakPolarHBondContact OD2-CG2 3.45Å; D444-T447 PolarHBondContact OD2-N 2.87Å; D444-T447 PolarHBondContact OD2-OG1 3.14Å; D444-G448 VanDerWaalsContact O-CA 3.23Å; D444-G448 WeakPolarHBondContact O-CA 3.25Å; D444-G448 PolarHBondContact O-N 3.2Å; D444-K449 PolarHBondContact N-O 3.42Å; D444-L451 HydrophobicContact CB-CD2 3.98Å; D444-L451 HydrophobicContact CB-CG 4.32Å
445P93Very high87.8Confident0 Ų057.3 Ų57.30%031%0.314CS..THydrogen-bonded Turntrans-63.4-24.3179.324.6-31.9000113.4H385 T396 S405 D427 I429H385-P445 VanDerWaalsContact CE1-CG 3.43Å; H385-P445 WeakPolarHBondContact CE1-CG 3.47Å; H385-P445 WeakPolarHBondContact NE2-CB 3.13Å; T396-P445 HydrophobicContact CG2-CB 3.96Å; S405-P445 WeakPolarHBondContact CB-O 3.42Å; S405-P445 PolarHBondContact OG-O 3.36Å; D427-P445 WeakPolarHBondContact O-CD 3.2Å; I429-P445 HydrophobicContact CD1-CB 3.88Å; I429-P445 HydrophobicContact CG1-CB 4.02Å
446M91.4Very high87.9Confident112 Ų11255.6 Ų55.655%0.55230%0.3SS*.THydrogen-bonded Turntrans-81-39.7-179.3-64.5-60.7-61.300112.5T404 D444T404-M446 HydrophobicContact CG2-CB 4.46Å; T404-M446 HydrophobicContact CG2-CE 3.76Å; T404-M446 HydrophobicContact CG2-SD 3.74Å; D444-M446 PolarHBondContact O-N 2.84Å; D444-M446 WeakPolarHBondContact OD1-CB 3.45Å; D444-M446 PolarHBondContact OD1-N 2.74Å
447T91.1Very high88Confident77 Ų7752.3 Ų52.347%0.47228%0.283SS..THydrogen-bonded Turntrans-105.3-18.5-175.7630000114D444 K449D444-T447 WeakPolarHBondContact CB-OG1 3.44Å; D444-T447 PolarHBondContact O-N 3.38Å; D444-T447 WeakPolarHBondContact OD2-CB 3.35Å; D444-T447 VanDerWaalsContact OD2-CG2 3.25Å; D444-T447 WeakPolarHBondContact OD2-CG2 3.45Å; D444-T447 PolarHBondContact OD2-N 2.87Å; D444-T447 PolarHBondContact OD2-OG1 3.14Å; T447-K449 PolarHBondContact O-N 2.84Å; T447-K449 PolarHBondContact OG1-N 3.21Å
448G89.5Confident88.3Confident15 Ų1553.5 Ų53.516%0.15529%0.294CS..  trans688.1-171.600000113.8D444D444-G448 VanDerWaalsContact O-CA 3.23Å; D444-G448 WeakPolarHBondContact O-CA 3.25Å; D444-G448 PolarHBondContact O-N 3.2Å
449K91.1Very high88.4Confident143 Ų14350.3 Ų50.362%0.62228%0.28SS*.PPolyproline II helixtrans-81.7148.2179.3-69-177.8178.2179.70110.4F443 D444 T447F443-K449 WeakPolarHBondContact CA-O 3.28Å; D444-K449 PolarHBondContact N-O 3.42Å; T447-K449 PolarHBondContact O-N 2.84Å; T447-K449 PolarHBondContact OG1-N 3.21Å
450P89.9Confident88.3Confident76 Ų7658.5 Ų58.549%0.49431%0.314SS..BIsolated β-bridgetrans-67.8139.9176.531.5-36.4000110.5F442 F443F442-P450 CarbonylContact O-C 3.51Å; F442-P450 VanDerWaalsContact O-CA 3.24Å; F442-P450 WeakPolarHBondContact O-CA 3.39Å; F443-P450 HydrophobicContact CD1-CB 4.22Å; F443-P450 HydrophobicContact CE1-CB 4.15Å
451L86.2Confident88.3Confident30 Ų3061.5 Ų61.516%0.15733%0.33CS..SBendtrans-84.4168.8176.9-69.5170.2000110.9T428 F442 D444 D453 G454 V493T428-L451 HydrophobicContact CG2-CD1 3.98Å; F442-L451 HydrophobicContact CB-CB 3.85Å; F442-L451 HydrophobicContact CB-CD1 4.22Å; F442-L451 PolarHBondContact O-N 3.36Å; D444-L451 HydrophobicContact CB-CD2 3.98Å; D444-L451 HydrophobicContact CB-CG 4.32Å; L451-D453 PolarHBondContact O-N 2.65Å; L451-G454 PolarHBondContact O-N 2.95Å; L451-G454 VanDerWaalsContact O-N 3.15Å; L451-V493 HydrophobicContact CD1-CG1 4.38Å
452S71.9Confident88.3Confident23 Ų2363.4 Ų63.416%0.16134%0.338CS..G310 helixtrans55.448.8176.6-61.50000113.9G454 K455 V493 H495S452-G454 PolarHBondContact O-N 2.91Å; S452-G454 VanDerWaalsContact O-N 3.09Å; S452-K455 PolarHBondContact O-N 3.17Å; S452-K455 VanDerWaalsContact O-N 3.07Å; S452-V493 PolarHBondContact OG-O 3.16Å; S452-H495 PolarHBondContact OG-N 3.12Å
453D68.9Low88.3Confident144 Ų14463 Ų6377%0.7734%0.336SS*.G310 helixtrans56.122.3-178-58.1-33.8000114.6L451 K455L451-D453 PolarHBondContact O-N 2.65Å; D453-K455 VanDerWaalsContact C-N 3.28Å; D453-K455 PolarHBondContact O-N 3.45Å
454G72.9Confident88.1Confident40 Ų4065.5 Ų65.541%0.41235%0.35SS..G310 helixtrans78.96.4-178.200000114.9L451 S452L451-G454 PolarHBondContact O-N 2.95Å; L451-G454 VanDerWaalsContact O-N 3.15Å; S452-G454 PolarHBondContact O-N 2.91Å; S452-G454 VanDerWaalsContact O-N 3.09Å
455K82.8Confident88.1Confident150 Ų15064.7 Ų64.765%0.65235%0.345SS*.PPolyproline II helixtrans-82.2122175.2-70.3-176.9-179.9177.20110.2S452 D453S452-K455 PolarHBondContact O-N 3.17Å; S452-K455 VanDerWaalsContact O-N 3.07Å; D453-K455 VanDerWaalsContact C-N 3.28Å; D453-K455 PolarHBondContact O-N 3.45Å
456P87.1Confident88.2Confident58 Ų5864.9 Ų64.938%0.37735%0.346SS..PPolyproline II helixtrans-72157.7175.230.4-34.5000111.8V439 L441V439-P456 HydrophobicContact CG1-CB 3.47Å; V439-P456 VanDerWaalsContact CG1-CB 3.47Å; V439-P456 HydrophobicContact CG1-CG 3.93Å; L441-P456 HydrophobicContact CD2-CB 3.82Å
457L90.5Very high88.5Confident3 Ų360.2 Ų60.22%0.01633%0.325CS..EExtended strand (participates in β ladder)trans-82.3121.9167.8172.569.8000108.9V439 I440 F442 L481 T491 P500 I502V439-L457 CarbonylContact C-O 3.51Å; V439-L457 WeakPolarHBondContact CA-O 3.36Å; I440-L457 HydrophobicContact CB-CB 4.24Å; I440-L457 HydrophobicContact CB-CD2 4.4Å; I440-L457 HydrophobicContact CD1-CD2 3.94Å; I440-L457 PolarHBondContact N-O 3.05Å; I440-L457 PolarHBondContact O-N 3Å; F442-L457 HydrophobicContact CE2-CB 3.69Å; F442-L457 HydrophobicContact CE2-CD2 4.17Å; F442-L457 HydrophobicContact CZ-CB 4.19Å; F442-L457 HydrophobicContact CZ-CD2 3.88Å; L457-L481 HydrophobicContact CD2-CD2 4.22Å; L457-T491 HydrophobicContact CD1-CG2 4.47Å; L457-T491 HydrophobicContact CD2-CG2 3.61Å; L457-P500 HydrophobicContact CD1-CB 3.51Å; L457-P500 HydrophobicContact CD1-CG 3.6Å; L457-I502 HydrophobicContact CD1-CD1 3.87Å; L457-I502 HydrophobicContact CD1-CG1 4.21Å
458T92.8Very high88.7Confident78 Ų7856.6 Ų56.648%0.47930%0.303SS..EExtended strand (participates in β ladder)trans-109.9123.9177.7-52.40000110.3K438 V439K438-T458 HydrophobicContact CB-CG2 4.49Å; V439-T458 HydrophobicContact CG2-CG2 4.4Å
459H94.6Very high88.9Confident11 Ų1156.1 Ų56.15%0.05130%0.297CS..  trans-91.2162174.2-165.659.8000111.6K438 L461 V463 D483 Y489K438-H459 PolarHBondContact O-N 2.91Å; H459-L461 PolarHBondContact CD2-N 2.85Å; H459-L461 PolarHBondContact CD2-O 3.45Å; H459-L461 VanDerWaalsContact CD2-O 3.23Å; H459-V463 HydrophobicContact CB-CG2 3.73Å; H459-D483 IonicContact NE2-OD2 3.09Å; H459-Y489 AromaticContact CE1-CD2 3.9Å; H459-Y489 AromaticContact CE1-CE2 3.76Å; H459-Y489 AromaticContact CE1-CZ 3.82Å; H459-Y489 AromaticContact NE2-CE2 3.72Å; H459-Y489 AromaticContact NE2-CZ 3.97Å
460K92.9Very high89Confident186 Ų18650.7 Ų50.781%0.80927%0.274SS*.SBendtrans-72.2-36.3-179.9-67.5-178.3179.9178.30112.1
461L93.7Very high88.8Confident64 Ų6448.4 Ų48.434%0.33526%0.259SS..SBendtrans-115.8168.2179.7-62.4178.7000110.4H459 D483 N485H459-L461 PolarHBondContact CD2-N 2.85Å; H459-L461 PolarHBondContact CD2-O 3.45Å; H459-L461 VanDerWaalsContact CD2-O 3.23Å; L461-D483 HydrophobicContact CB-CB 4.32Å; L461-N485 HydrophobicContact CD1-CB 4.45Å; L461-N485 VanDerWaalsContact CD1-ND2 3.26Å; L461-N485 WeakPolarHBondContact CD1-ND2 3.43Å
462E92Very high88.8Confident67 Ų6749.6 Ų49.631%0.31328%0.278SS..  trans-62.4134.9172.9-66.5160.6-157.900109.3E437 K438 D483 K484E437-E462 HydrophobicContact CB-CB 4.18Å; E437-E462 HydrophobicContact CB-CG 4.21Å; K438-E462 HydrophobicContact CG-CG 4.35Å; E462-D483 CarbonylContact O-C 3.58Å; E462-D483 WeakPolarHBondContact O-CA 3.22Å; E462-K484 HydrophobicContact CB-CB 4.34Å; E462-K484 HydrophobicContact CB-CD 4.4Å; E462-K484 PolarHBondContact O-N 2.94Å; E462-K484 IonicContact OE1-NZ 3.6Å; E462-K484 VanDerWaalsContact OE2-CD 3.29Å; E462-K484 WeakPolarHBondContact OE2-CD 3.33Å; E462-K484 WeakPolarHBondContact OE2-CE 3.37Å; E462-K484 IonicContact OE2-NZ 3.67Å; E462-K484 PolarHBondContact OE2-NZ 2.92Å
463V93.8Very high89.4Confident0 Ų051.6 Ų51.60%029%0.291CS..EExtended strand (participates in β ladder)trans-93.5129.6178.9179.90000108.3R432 E437 I440 H459 V466 L481 I482R432-V463 WeakPolarHBondContact CD-O 3.39Å; R432-V463 PolarHBondContact NH1-O 3.43Å; E437-V463 PolarHBondContact O-N 2.94Å; I440-V463 HydrophobicContact CD1-CG1 4.4Å; I440-V463 HydrophobicContact CD1-CG2 4.27Å; H459-V463 HydrophobicContact CB-CG2 3.73Å; V463-V466 HydrophobicContact CG1-CG1 3.72Å; V463-L481 HydrophobicContact CG1-CB 4.08Å; V463-I482 CarbonylContact C-O 3.54Å
464L91.1Very high90.1Very high59 Ų5946.9 Ų46.931%0.30927%0.269SS..EExtended strand (participates in β ladder)trans-88.4-41.8179-67.7-179.2000112.8R432 I482 D483R432-L464 VanDerWaalsContact NH1-C 3.27Å; R432-L464 VanDerWaalsContact NH1-CA 3.34Å; R432-L464 PolarHBondContact NH1-O 3.24Å; L464-I482 PolarHBondContact N-O 3.35Å; L464-D483 WeakPolarHBondContact CD1-O 3.39Å
465E92.9Very high90.7Very high22 Ų2249.1 Ų49.110%0.10328%0.277CS..EExtended strand (participates in β ladder)trans-144.9141.3-173.3-170.1-179.6141.900110.6Q420 L481 I482 M512Q420-E465 HydrophobicContact CB-CB 4.45Å; Q420-E465 HydrophobicContact CB-CG 4.12Å; Q420-E465 HydrophobicContact CG-CG 4.16Å; Q420-E465 WeakPolarHBondContact O-CA 3.4Å; E465-L481 WeakPolarHBondContact O-CA 3.44Å; E465-I482 HydrophobicContact CB-CB 4.37Å; E465-I482 HydrophobicContact CB-CD1 4.49Å; E465-I482 PolarHBondContact N-O 3.16Å; E465-I482 PolarHBondContact O-N 3.21Å; E465-M512 HydrophobicContact CB-CE 3.92Å; E465-M512 HydrophobicContact CG-CE 3.68Å; E465-M512 WeakPolarHBondContact O-CE 3.41Å; E465-M512 WeakPolarHBondContact OE1-CG 3.26Å
466V95.6Very high90.8Very high4 Ų447.3 Ų47.32%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-126139.4174.5-65.50000111Q420 I440 V463 I479 A480 L481Q420-V466 PolarHBondContact O-N 3.23Å; Q420-V466 VanDerWaalsContact O-N 3.1Å; I440-V466 HydrophobicContact CD1-CG1 3.72Å; I440-V466 HydrophobicContact CG1-CG1 4.12Å; V463-V466 HydrophobicContact CG1-CG1 3.72Å; V466-I479 HydrophobicContact CB-CD1 3.99Å; V466-I479 HydrophobicContact CG1-CD1 4.27Å; V466-A480 WeakPolarHBondContact CA-O 3.49Å; V466-L481 HydrophobicContact CG1-CB 4.43Å
467A96.5Very high91.1Very high14 Ų1444.6 Ų44.612%0.11625%0.253CS..EExtended strand (participates in β ladder)trans-142.4123.2177.300000111.2A480 M512 W514A467-A480 PolarHBondContact N-O 2.92Å; A467-A480 PolarHBondContact O-N 3.39Å; A467-M512 HydrophobicContact CB-CE 3.82Å; A467-M512 HydrophobicContact CB-CG 4.4Å; A467-M512 HydrophobicContact CB-SD 4.17Å; A467-W514 PolarHBondContact O-NE1 2.72Å
468L95.9Very high91.2Very high1 Ų145.9 Ų45.91%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-84.2139.3175.2-72.4168.1000110.9S423 T428 A430 Q470 R477 I479 V493 W514S423-L468 WeakPolarHBondContact O-CD1 3.26Å; S423-L468 WeakPolarHBondContact OG-CB 3.41Å; S423-L468 PolarHBondContact OG-N 2.91Å; T428-L468 HydrophobicContact CG2-CD1 3.9Å; T428-L468 HydrophobicContact CG2-CD2 4.03Å; T428-L468 VanDerWaalsContact O-CD1 3.27Å; T428-L468 WeakPolarHBondContact O-CD1 3.46Å; A430-L468 HydrophobicContact CB-CD1 3.87Å; A430-L468 HydrophobicContact CB-CD2 4.24Å; A430-L468 HydrophobicContact CB-CG 4Å; L468-Q470 PolarHBondContact O-NE2 3.49Å; L468-R477 HydrophobicContact CD2-CG 4.28Å; L468-I479 HydrophobicContact CD2-CB 3.89Å; L468-I479 HydrophobicContact CD2-CD1 4.28Å; L468-I479 HydrophobicContact CD2-CG1 4.26Å; L468-V493 HydrophobicContact CD2-CG2 3.68Å; L468-W514 VanDerWaalsContact C-CD1 3.43Å
469D94.6Very high91.3Very high5 Ų542.1 Ų42.13%0.02724%0.235CC..  trans-59.4141.9165177.116.1000110.3S425 C471 R477 K478 W514 N519S425-D469 WeakPolarHBondContact CB-O 3.34Å; D469-C471 PolarHBondContact OD1-N 2.63Å; D469-R477 VanDerWaalsContact O-CD 3.22Å; D469-R477 WeakPolarHBondContact O-CD 3.32Å; D469-R477 PolarHBondContact O-NH1 2.81Å; D469-K478 HydrophobicContact CB-CB 4.36Å; D469-K478 PolarHBondContact N-O 2.99Å; D469-W514 HydrophobicContact CB-CD2 4.18Å; D469-W514 HydrophobicContact CB-CE3 4.29Å; D469-W514 HydrophobicContact CB-CZ2 4.38Å; D469-W514 HydrophobicContact CB-CZ3 4.45Å; D469-N519 VanDerWaalsContact CG-ND2 3.35Å; D469-N519 PolarHBondContact OD2-ND2 3.04Å
470Q92.3Very high91.4Very high29 Ų2941.6 Ų41.614%0.13623%0.233CC..  trans-93.5-15-177.6-59.9-56.5-55.800113.3L424 L468 R477L424-Q470 PolarHBondContact O-NE2 3.06Å; L468-Q470 PolarHBondContact O-NE2 3.49Å; Q470-R477 VanDerWaalsContact C-NH1 3.26Å
471C86.6Confident91.6Very high29 Ų2932.8 Ų32.820%0.19620%0.195CC..SBendtrans-118167.6-169.9-58.80000113.6D469 R477 D516 S517 A518D469-C471 PolarHBondContact OD1-N 2.63Å; C471-R477 VanDerWaalsContact N-NH1 3.18Å; C471-R477 PolarHBondContact O-NH1 3.36Å; C471-D516 PolarHBondContact SG-O 2.93Å; C471-S517 WeakPolarHBondContact SG-CA 3.46Å; C471-S517 PolarHBondContact SG-O 2.9Å; C471-S517 VanDerWaalsContact SG-O 3.39Å; C471-A518 PolarHBondContact SG-N 2.82Å; C471-A518 VanDerWaalsContact SG-N 3.36Å
472G84.4Confident91.7Very high54 Ų5429.9 Ų29.956%0.55718%0.179SC*.SBendtrans81.4172.7177.600000115.1R477G472-R477 PolarHBondContact O-NH2 2.85Å
473P85.2Confident91.8Very high66 Ų6626.7 Ų26.743%0.42916%0.164SC..  trans-76.3153.1-17733.5-36000111.9P475 E476 R477P473-P475 HydrophobicContact CB-CG 4.45Å; P473-E476 WeakPolarHBondContact CD-OE2 3.31Å; P473-E476 HydrophobicContact CG-CB 4.07Å; P473-E476 HydrophobicContact CG-CG 3.96Å; P473-E476 WeakPolarHBondContact CG-OE2 3.37Å; P473-E476 PolarHBondContact O-N 3.01Å; P473-R477 PolarHBondContact O-N 2.91Å
474S84.1Confident91.7Very high44 Ų4430.6 Ų30.631%0.30818%0.181SC..G310 helixtrans-44.9-51.1179.5164.90000115.7D427 E476 R477 H494D427-S474 WeakPolarHBondContact OD2-CA 3.31Å; D427-S474 WeakPolarHBondContact OD2-CB 3.37Å; D427-S474 PolarHBondContact OD2-N 3.36Å; S474-E476 PolarHBondContact O-N 3.27Å; S474-E476 VanDerWaalsContact O-N 3.09Å; S474-R477 VanDerWaalsContact O-CB 3.22Å; S474-R477 WeakPolarHBondContact O-CB 3.36Å; S474-R477 PolarHBondContact O-N 2.87Å; S474-H494 PolarHBondContact O-CD2 2.95Å; S474-H494 PolarHBondContact O-NE2 3.1Å; S474-H494 PolarHBondContact OG-NE2 2.94Å
475P85Confident91.8Very high88 Ų8832.6 Ų32.657%0.57119%0.192SC*.G310 helixtrans-61.9-22.7-178.624-35.8000114.2P473P473-P475 HydrophobicContact CB-CG 4.45Å
476E85.4Confident91.8Very high111 Ų11134.1 Ų34.152%0.51920%0.199SC..G310 helixtrans-94.5-5.4-179.1-65179.8177.400113P473 S474 K478P473-E476 WeakPolarHBondContact CD-OE2 3.31Å; P473-E476 HydrophobicContact CG-CB 4.07Å; P473-E476 HydrophobicContact CG-CG 3.96Å; P473-E476 WeakPolarHBondContact CG-OE2 3.37Å; P473-E476 PolarHBondContact O-N 3.01Å; S474-E476 PolarHBondContact O-N 3.27Å; S474-E476 VanDerWaalsContact O-N 3.09Å; E476-K478 VanDerWaalsContact O-CD 3.26Å; E476-K478 WeakPolarHBondContact O-CD 3.26Å; E476-K478 WeakPolarHBondContact O-CE 3.09Å; E476-K478 WeakPolarHBondContact O-CG 3.26Å; E476-K478 PolarHBondContact O-N 3.06Å
477R92.4Very high91.8Very high2 Ų235 Ų351%0.00820%0.204CC..  trans-50.5126.6-178.1-175.46959.8-141.2-20.6111.1S425 D427 L468 D469 Q470 C471 G472 P473 S474 V493S425-R477 PolarHBondContact OG-NE 2.77Å; D427-R477 IonicContact OD1-CZ 2.67Å; D427-R477 IonicContact OD1-NE 2.72Å; D427-R477 PolarHBondContact OD1-NE 2.93Å; D427-R477 IonicContact OD1-NH2 3.33Å; D427-R477 IonicContact OD2-CZ 2.8Å; D427-R477 IonicContact OD2-NE 3.27Å; D427-R477 PolarHBondContact OD2-NE 2.73Å; D427-R477 IonicContact OD2-NH2 2.73Å; D427-R477 PolarHBondContact OD2-NH2 2.92Å; L468-R477 HydrophobicContact CD2-CG 4.28Å; D469-R477 VanDerWaalsContact O-CD 3.22Å; D469-R477 WeakPolarHBondContact O-CD 3.32Å; D469-R477 PolarHBondContact O-NH1 2.81Å; Q470-R477 VanDerWaalsContact C-NH1 3.26Å; C471-R477 VanDerWaalsContact N-NH1 3.18Å; C471-R477 PolarHBondContact O-NH1 3.36Å; G472-R477 PolarHBondContact O-NH2 2.85Å; P473-R477 PolarHBondContact O-N 2.91Å; S474-R477 VanDerWaalsContact O-CB 3.22Å; S474-R477 WeakPolarHBondContact O-CB 3.36Å; S474-R477 PolarHBondContact O-N 2.87Å; R477-V493 HydrophobicContact CB-CB 4.29Å; R477-V493 HydrophobicContact CB-CG2 4.21Å; R477-V493 HydrophobicContact CG-CB 4.25Å; R477-V493 HydrophobicContact CG-CG2 3.7Å; R477-V493 PolarHBondContact O-N 2.98Å
478K93.4Very high91.8Very high29 Ų2934.3 Ų34.313%0.12620%0.198CC..EExtended strand (participates in β ladder)trans-107.9153.9177.6-53.7-53.3177.3-167.60111.4D469 E476 L490 T491 S492 F539D469-K478 HydrophobicContact CB-CB 4.36Å; D469-K478 PolarHBondContact N-O 2.99Å; E476-K478 VanDerWaalsContact O-CD 3.26Å; E476-K478 WeakPolarHBondContact O-CD 3.26Å; E476-K478 WeakPolarHBondContact O-CE 3.09Å; E476-K478 WeakPolarHBondContact O-CG 3.26Å; E476-K478 PolarHBondContact O-N 3.06Å; K478-L490 HydrophobicContact CB-CD1 4.09Å; K478-T491 WeakPolarHBondContact CA-O 3.46Å; K478-S492 PolarHBondContact NZ-OG 3.09Å; K478-F539 HydrophobicContact CD-CE2 3.84Å; K478-F539 HydrophobicContact CD-CZ 4.47Å
479I95.3Very high91.9Very high0 Ų036 Ų360%021%0.205CC..EExtended strand (participates in β ladder)trans-126.5131.2169.6-177.4166.4000108.8A430 I440 F442 V466 L468 T491 V493A430-I479 HydrophobicContact CB-CD1 3.73Å; I440-I479 HydrophobicContact CG2-CD1 4.2Å; F442-I479 HydrophobicContact CE1-CD1 3.85Å; F442-I479 HydrophobicContact CE1-CG2 4.43Å; F442-I479 HydrophobicContact CZ-CD1 4.3Å; F442-I479 HydrophobicContact CZ-CG2 4.15Å; V466-I479 HydrophobicContact CB-CD1 3.99Å; V466-I479 HydrophobicContact CG1-CD1 4.27Å; L468-I479 HydrophobicContact CD2-CB 3.89Å; L468-I479 HydrophobicContact CD2-CD1 4.28Å; L468-I479 HydrophobicContact CD2-CG1 4.26Å; I479-T491 HydrophobicContact CG2-CG2 3.34Å; I479-T491 PolarHBondContact N-O 3.07Å; I479-T491 PolarHBondContact O-N 3.46Å; I479-V493 HydrophobicContact CB-CG2 4.32Å; I479-V493 HydrophobicContact CG2-CG2 4.35Å
480A96.9Very high91.9Very high0 Ų035.7 Ų35.70%020%0.203CC..EExtended strand (participates in β ladder)trans-93.8142.416700000109.3V466 A467 L488 Y489 L490 M512 W514 L521V466-A480 WeakPolarHBondContact CA-O 3.49Å; A467-A480 PolarHBondContact N-O 2.92Å; A467-A480 PolarHBondContact O-N 3.39Å; A480-L488 HydrophobicContact CB-CD1 4.29Å; A480-Y489 WeakPolarHBondContact CA-O 3.33Å; A480-L490 HydrophobicContact CB-CD1 4.36Å; A480-M512 HydrophobicContact CB-CE 4.47Å; A480-M512 HydrophobicContact CB-SD 3.63Å; A480-W514 HydrophobicContact CB-CZ2 3.84Å; A480-L521 HydrophobicContact CB-CD1 4.43Å; A480-L521 HydrophobicContact CB-CD2 3.99Å
481L96.4Very high92Very high1 Ų134.4 Ų34.41%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-140.3135.1-179.851.3108.2000110.9I440 L457 V463 E465 V466 Y489 T491I440-L481 HydrophobicContact CD1-CD2 4.18Å; L457-L481 HydrophobicContact CD2-CD2 4.22Å; V463-L481 HydrophobicContact CG1-CB 4.08Å; E465-L481 WeakPolarHBondContact O-CA 3.44Å; V466-L481 HydrophobicContact CG1-CB 4.43Å; L481-Y489 HydrophobicContact CD1-CD2 3.86Å; L481-Y489 HydrophobicContact CD1-CG 3.97Å; L481-Y489 PolarHBondContact N-O 3.03Å; L481-Y489 PolarHBondContact O-N 3.37Å; L481-T491 HydrophobicContact CD2-CG2 3.92Å
482I96.2Very high92.2Very high3 Ų333.9 Ų33.92%0.01519%0.194CC..EExtended strand (participates in β ladder)trans-104.9123.7173.4-63.4172.1000107.5V463 L464 E465 D487 L488 V509 M512V463-I482 CarbonylContact C-O 3.54Å; L464-I482 PolarHBondContact N-O 3.35Å; E465-I482 HydrophobicContact CB-CB 4.37Å; E465-I482 HydrophobicContact CB-CD1 4.49Å; E465-I482 PolarHBondContact N-O 3.16Å; E465-I482 PolarHBondContact O-N 3.21Å; I482-D487 WeakPolarHBondContact CA-O 3.49Å; I482-L488 HydrophobicContact CG1-CD1 3.83Å; I482-V509 HydrophobicContact CD1-CG1 4.05Å; I482-V509 WeakPolarHBondContact CG2-O 3.44Å; I482-M512 HydrophobicContact CD1-CB 4.13Å; I482-M512 HydrophobicContact CD1-CE 4.1Å; I482-M512 HydrophobicContact CD1-CG 3.76Å; I482-M512 HydrophobicContact CD1-SD 3.92Å; I482-M512 HydrophobicContact CG1-CE 3.94Å; I482-M512 HydrophobicContact CG1-CG 4.38Å; I482-M512 HydrophobicContact CG1-SD 3.85Å
483D94.8Very high92.4Very high0 Ų031.3 Ų31.30%017%0.168CC..EExtended strand (participates in β ladder)trans-86.5175.7175.877.96.3000112.6H459 L461 E462 L464 N485 H486 D487 Y489H459-D483 IonicContact NE2-OD2 3.09Å; L461-D483 HydrophobicContact CB-CB 4.32Å; E462-D483 CarbonylContact O-C 3.58Å; E462-D483 WeakPolarHBondContact O-CA 3.22Å; L464-D483 WeakPolarHBondContact CD1-O 3.39Å; D483-N485 PolarHBondContact O-N 2.81Å; D483-N485 VanDerWaalsContact OD1-CA 3.29Å; D483-N485 WeakPolarHBondContact OD1-CA 3.34Å; D483-N485 WeakPolarHBondContact OD1-CB 3.22Å; D483-N485 PolarHBondContact OD1-N 2.87Å; D483-H486 WeakPolarHBondContact O-CA 3.49Å; D483-H486 PolarHBondContact O-N 3.47Å; D483-H486 PolarHBondContact OD1-N 2.88Å; D483-D487 PolarHBondContact N-O 3.41Å; D483-D487 WeakPolarHBondContact OD1-CB 3.23Å; D483-D487 PolarHBondContact OD1-N 3.03Å; D483-Y489 HydrophobicContact CB-CE2 4.09Å; D483-Y489 VanDerWaalsContact OD2-CE2 3.24Å; D483-Y489 WeakPolarHBondContact OD2-CE2 3.41Å; D483-Y489 PolarHBondContact OD2-OH 3.29Å
484K91Very high92.3Very high82 Ų8230.5 Ų30.536%0.35716%0.158SC..THydrogen-bonded Turntrans-60.3-22.1176.4-169.7174.2-166.8160.60114.7E462 H486E462-K484 HydrophobicContact CB-CB 4.34Å; E462-K484 HydrophobicContact CB-CD 4.4Å; E462-K484 PolarHBondContact O-N 2.94Å; E462-K484 IonicContact OE1-NZ 3.6Å; E462-K484 VanDerWaalsContact OE2-CD 3.29Å; E462-K484 WeakPolarHBondContact OE2-CD 3.33Å; E462-K484 WeakPolarHBondContact OE2-CE 3.37Å; E462-K484 IonicContact OE2-NZ 3.67Å; E462-K484 PolarHBondContact OE2-NZ 2.92Å; K484-H486 PolarHBondContact O-N 3.09Å
485N92.6Very high91.7Very high100 Ų10029.9 Ų29.954%0.53515%0.15SC..THydrogen-bonded Turntrans-84.64.7174.4-71-6.8000112.2L461 D483 D487L461-N485 HydrophobicContact CD1-CB 4.45Å; L461-N485 VanDerWaalsContact CD1-ND2 3.26Å; L461-N485 WeakPolarHBondContact CD1-ND2 3.43Å; D483-N485 PolarHBondContact O-N 2.81Å; D483-N485 VanDerWaalsContact OD1-CA 3.29Å; D483-N485 WeakPolarHBondContact OD1-CA 3.34Å; D483-N485 WeakPolarHBondContact OD1-CB 3.22Å; D483-N485 PolarHBondContact OD1-N 2.87Å; N485-D487 PolarHBondContact O-N 3.08Å
486H92.9Very high90.7Very high54 Ų5433.5 Ų33.525%0.2516%0.164CC..  trans60.129.4-171.3-61.6-78.1000112.6D483 K484 S507 M508 V509 H510D483-H486 WeakPolarHBondContact O-CA 3.49Å; D483-H486 PolarHBondContact O-N 3.47Å; D483-H486 PolarHBondContact OD1-N 2.88Å; K484-H486 PolarHBondContact O-N 3.09Å; H486-S507 CarbonylContact O-C 3.54Å; H486-M508 CarbonylContact O-C 3.58Å; H486-M508 WeakPolarHBondContact O-CA 3.25Å; H486-M508 PolarHBondContact O-N 2.76Å; H486-V509 WeakPolarHBondContact CB-O 3.41Å; H486-V509 PolarHBondContact ND1-O 2.87Å; H486-V509 PolarHBondContact O-N 2.75Å; H486-H510 AromaticContact CE1-CD2 3.83Å; H486-H510 AromaticContact ND1-CD2 3.75Å
487D96.1Very high89.3Confident22 Ų2231 Ų3112%0.11817%0.168CC..EExtended strand (participates in β ladder)trans-87.5131.9170.6-73.7-31.5000110I482 D483 N485 Y489 K504 S507I482-D487 WeakPolarHBondContact CA-O 3.49Å; D483-D487 PolarHBondContact N-O 3.41Å; D483-D487 WeakPolarHBondContact OD1-CB 3.23Å; D483-D487 PolarHBondContact OD1-N 3.03Å; N485-D487 PolarHBondContact O-N 3.08Å; D487-Y489 HydrophobicContact CB-CD2 4.31Å; D487-Y489 HydrophobicContact CB-CE2 3.43Å; D487-Y489 VanDerWaalsContact CB-CE2 3.43Å; D487-Y489 VanDerWaalsContact O-CD2 3.31Å; D487-Y489 WeakPolarHBondContact O-CD2 3.48Å; D487-Y489 WeakPolarHBondContact O-CE2 3.37Å; D487-K504 HydrophobicContact CB-CD 4.38Å; D487-K504 WeakPolarHBondContact OD1-CE 3.49Å; D487-K504 IonicContact OD1-NZ 3.57Å; D487-K504 PolarHBondContact OD1-NZ 2.75Å; D487-K504 WeakPolarHBondContact OD2-CE 3.16Å; D487-K504 IonicContact OD2-NZ 3.23Å; D487-K504 PolarHBondContact OD2-NZ 2.72Å; D487-S507 WeakPolarHBondContact OD1-CA 3.23Å; D487-S507 VanDerWaalsContact OD1-CB 3.25Å; D487-S507 WeakPolarHBondContact OD1-CB 3.39Å
488L96.7Very high88.1Confident0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-93.4125.3178.8179.467.1000109.7A480 I482 I505 G506 V509 M512 L521 W532A480-L488 HydrophobicContact CB-CD1 4.29Å; I482-L488 HydrophobicContact CG1-CD1 3.83Å; L488-I505 HydrophobicContact CB-CG1 4.26Å; L488-I505 HydrophobicContact CD2-CD1 3.62Å; L488-I505 HydrophobicContact CD2-CG1 3.77Å; L488-I505 HydrophobicContact CG-CD1 3.82Å; L488-I505 HydrophobicContact CG-CG1 3.65Å; L488-I505 WeakPolarHBondContact O-CG1 3.49Å; L488-I505 PolarHBondContact O-N 3.48Å; L488-G506 PolarHBondContact N-O 2.91Å; L488-G506 PolarHBondContact O-N 3.24Å; L488-V509 HydrophobicContact CB-CB 4Å; L488-V509 HydrophobicContact CB-CG1 4.41Å; L488-V509 HydrophobicContact CB-CG2 3.76Å; L488-V509 HydrophobicContact CD2-CG1 4.36Å; L488-V509 HydrophobicContact CD2-CG2 4.23Å; L488-M512 HydrophobicContact CD1-SD 3.65Å; L488-L521 HydrophobicContact CD1-CD2 4.46Å; L488-L521 HydrophobicContact CD2-CD2 3.91Å; L488-W532 HydrophobicContact CD2-CE3 4.32Å; L488-W532 HydrophobicContact CD2-CH2 3.56Å; L488-W532 HydrophobicContact CD2-CZ2 3.88Å; L488-W532 HydrophobicContact CD2-CZ3 3.79Å
489Y96.9Very high87Confident36 Ų3644.1 Ų44.114%0.14123%0.228CC..EExtended strand (participates in β ladder)trans-122.5158.7177.2-56.8-101.3000111.7H459 A480 L481 D483 D487 I502 C503 K504H459-Y489 AromaticContact CE1-CD2 3.9Å; H459-Y489 AromaticContact CE1-CE2 3.76Å; H459-Y489 AromaticContact CE1-CZ 3.82Å; H459-Y489 AromaticContact NE2-CE2 3.72Å; H459-Y489 AromaticContact NE2-CZ 3.97Å; A480-Y489 WeakPolarHBondContact CA-O 3.33Å; L481-Y489 HydrophobicContact CD1-CD2 3.86Å; L481-Y489 HydrophobicContact CD1-CG 3.97Å; L481-Y489 PolarHBondContact N-O 3.03Å; L481-Y489 PolarHBondContact O-N 3.37Å; D483-Y489 HydrophobicContact CB-CE2 4.09Å; D483-Y489 VanDerWaalsContact OD2-CE2 3.24Å; D483-Y489 WeakPolarHBondContact OD2-CE2 3.41Å; D483-Y489 PolarHBondContact OD2-OH 3.29Å; D487-Y489 HydrophobicContact CB-CD2 4.31Å; D487-Y489 HydrophobicContact CB-CE2 3.43Å; D487-Y489 VanDerWaalsContact CB-CE2 3.43Å; D487-Y489 VanDerWaalsContact O-CD2 3.31Å; D487-Y489 WeakPolarHBondContact O-CD2 3.48Å; D487-Y489 WeakPolarHBondContact O-CE2 3.37Å; Y489-I502 HydrophobicContact CD1-CG2 3.76Å; Y489-I502 HydrophobicContact CG-CG2 4Å; Y489-C503 CarbonylContact C-O 3.59Å; Y489-C503 WeakPolarHBondContact CA-O 3.46Å; Y489-K504 HydrophobicContact CD1-CB 3.75Å; Y489-K504 HydrophobicContact CD1-CG 4.42Å; Y489-K504 HydrophobicContact CE1-CB 3.64Å; Y489-K504 HydrophobicContact CE1-CD 4.45Å; Y489-K504 HydrophobicContact CE1-CG 4.15Å
490L95.7Very high86.2Confident0 Ų046.4 Ų46.40%024%0.243CC..EExtended strand (participates in β ladder)trans-129.5137175.9-167.173.4000109.8K478 A480 C503 I505 W514 P535 V538 F539K478-L490 HydrophobicContact CB-CD1 4.09Å; A480-L490 HydrophobicContact CB-CD1 4.36Å; L490-C503 PolarHBondContact N-O 3.28Å; L490-C503 PolarHBondContact O-N 2.99Å; L490-I505 HydrophobicContact CB-CD1 4.25Å; L490-I505 HydrophobicContact CB-CG2 4.18Å; L490-W514 HydrophobicContact CD1-CH2 3.77Å; L490-W514 HydrophobicContact CD1-CZ2 3.66Å; L490-P535 HydrophobicContact CD2-CB 4.01Å; L490-P535 WeakPolarHBondContact CD2-O 3.34Å; L490-V538 HydrophobicContact CD2-CG1 4.01Å; L490-F539 HydrophobicContact CB-CZ 4.38Å; L490-F539 HydrophobicContact CD2-CD2 4.45Å; L490-F539 HydrophobicContact CD2-CE2 3.53Å; L490-F539 HydrophobicContact CD2-CZ 4.03Å; L490-F539 HydrophobicContact CG-CE2 3.93Å; L490-F539 HydrophobicContact CG-CZ 3.99Å
491T93.6Very high85.7Confident1 Ų150.7 Ų50.71%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-143.2161.9171.1-1760000110.9L457 K478 I479 L481 H495 K501L457-T491 HydrophobicContact CD1-CG2 4.47Å; L457-T491 HydrophobicContact CD2-CG2 3.61Å; K478-T491 WeakPolarHBondContact CA-O 3.46Å; I479-T491 HydrophobicContact CG2-CG2 3.34Å; I479-T491 PolarHBondContact N-O 3.07Å; I479-T491 PolarHBondContact O-N 3.46Å; L481-T491 HydrophobicContact CD2-CG2 3.92Å; T491-H495 PolarHBondContact OG1-CE1 3.23Å; T491-K501 PolarHBondContact OG1-O 3.36Å
492S90.6Very high85.5Confident19 Ų1953 Ų5313%0.13327%0.273CS..EExtended strand (participates in β ladder)trans-74.6155.6167.3-134.70000110.1K478 H495K478-S492 PolarHBondContact NZ-OG 3.09Å; S492-H495 PolarHBondContact O-CE1 3.16Å; S492-H495 PolarHBondContact O-NE2 3.03Å
493V88.6Confident85.3Confident0 Ų053.6 Ų53.60%028%0.278CS..SBendtrans-82.2-45.2172.5170.40000111.3T428 F442 L451 S452 L468 R477 I479 H495T428-V493 HydrophobicContact CG2-CG1 3.6Å; T428-V493 HydrophobicContact CG2-CG2 4.19Å; F442-V493 HydrophobicContact CB-CG1 4.39Å; F442-V493 HydrophobicContact CD1-CG1 3.89Å; F442-V493 HydrophobicContact CD1-CG2 4.44Å; F442-V493 HydrophobicContact CD2-CG1 4.31Å; F442-V493 HydrophobicContact CE1-CG1 4.19Å; F442-V493 HydrophobicContact CE1-CG2 4.03Å; F442-V493 HydrophobicContact CG-CG1 3.96Å; F442-V493 HydrophobicContact CZ-CG2 4.4Å; L451-V493 HydrophobicContact CD1-CG1 4.38Å; S452-V493 PolarHBondContact OG-O 3.16Å; L468-V493 HydrophobicContact CD2-CG2 3.68Å; R477-V493 HydrophobicContact CB-CB 4.29Å; R477-V493 HydrophobicContact CB-CG2 4.21Å; R477-V493 HydrophobicContact CG-CB 4.25Å; R477-V493 HydrophobicContact CG-CG2 3.7Å; R477-V493 PolarHBondContact O-N 2.98Å; I479-V493 HydrophobicContact CB-CG2 4.32Å; I479-V493 HydrophobicContact CG2-CG2 4.35Å; V493-H495 PolarHBondContact O-N 2.99Å
494H83.3Confident85.3Confident49 Ų4957.9 Ų57.923%0.22730%0.296CS..  trans-84.4117.5-177.2-66.6-87.7000110.8S474S474-H494 PolarHBondContact O-CD2 2.95Å; S474-H494 PolarHBondContact O-NE2 3.1Å; S474-H494 PolarHBondContact OG-NE2 2.94Å
495H72.2Confident85.5Confident31 Ų3154.6 Ų54.614%0.14428%0.282CS..  trans-121.490.7174.5-52.4-57.5000108S452 T491 S492 V493 G497 P500S452-H495 PolarHBondContact OG-N 3.12Å; T491-H495 PolarHBondContact OG1-CE1 3.23Å; S492-H495 PolarHBondContact O-CE1 3.16Å; S492-H495 PolarHBondContact O-NE2 3.03Å; V493-H495 PolarHBondContact O-N 2.99Å; H495-G497 PolarHBondContact O-N 2.67Å; H495-P500 WeakPolarHBondContact NE2-CB 3.26Å
496L63Low85.6Confident164 Ų16450.2 Ų50.286%0.85926%0.26SS*.SBendtrans-6572.7179.2-76.1150.8000111.3K498L496-K498 PolarHBondContact O-N 3.23Å
497G57.2Low85.6Confident59 Ų5949.9 Ų49.961%0.60826%0.264SS*.SBendtrans70.97.4-179.800000115.9H495H495-G497 PolarHBondContact O-N 2.67Å
498K66.5Low85.4Confident118 Ų11854.1 Ų54.151%0.51329%0.285SS..SBendtrans-99.4156.8-177.8-64.8177-177.8175.60111.7L496 E674L496-K498 PolarHBondContact O-N 3.23Å; K498-E674 IonicContact NZ-OE1 3.27Å; K498-E674 PolarHBondContact NZ-OE1 3.38Å; K498-E674 IonicContact NZ-OE2 2.79Å
499E70.3Confident85.2Confident187 Ų18754.1 Ų54.187%0.87429%0.285SS*.PPolyproline II helixtrans-65.8136168.3-71.4-166.7165.400110.5K501E499-K501 PolarHBondContact O-N 3.39Å
500P79.6Confident84.8Confident48 Ų4856.4 Ų56.431%0.31230%0.297SS..PPolyproline II helixtrans-67.8124.2-179.227.8-34.7000111.2L457 H495 I502L457-P500 HydrophobicContact CD1-CB 3.51Å; L457-P500 HydrophobicContact CD1-CG 3.6Å; H495-P500 WeakPolarHBondContact NE2-CB 3.26Å; P500-I502 HydrophobicContact CB-CG1 4.44Å; P500-I502 PolarHBondContact O-N 3.19Å
501K85.7Confident84.6Confident90 Ų9056.4 Ų56.439%0.39130%0.297SS..  trans-81.796.4173-171.5-179.7-179.8-178.90109.6T491 E499 F539T491-K501 PolarHBondContact OG1-O 3.36Å; E499-K501 PolarHBondContact O-N 3.39Å; K501-F539 HydrophobicContact CD-CD1 4.43Å
502I91.4Very high84.7Confident50 Ų5056.7 Ų56.726%0.25630%0.298SS..  trans-91113.2176.9-52.9175.7000109.1L457 Y489 P500L457-I502 HydrophobicContact CD1-CD1 3.87Å; L457-I502 HydrophobicContact CD1-CG1 4.21Å; Y489-I502 HydrophobicContact CD1-CG2 3.76Å; Y489-I502 HydrophobicContact CG-CG2 4Å; P500-I502 HydrophobicContact CB-CG1 4.44Å; P500-I502 PolarHBondContact O-N 3.19Å
503C93.4Very high84.9Confident16 Ų1656.5 Ų56.511%0.10830%0.297CS..EExtended strand (participates in β ladder)trans-106.6125.8-176.9-69.60000111.1Y489 L490 V538Y489-C503 CarbonylContact C-O 3.59Å; Y489-C503 WeakPolarHBondContact CA-O 3.46Å; L490-C503 PolarHBondContact N-O 3.28Å; L490-C503 PolarHBondContact O-N 2.99Å; C503-V538 HydrophobicContact CB-CB 4.42Å; C503-V538 HydrophobicContact CB-CG1 3.82Å; C503-V538 HydrophobicContact CB-CG2 3.69Å
504K95.1Very high85.3Confident90 Ų9057.3 Ų57.339%0.39130%0.3SS..EExtended strand (participates in β ladder)trans-72.8127.8170-174.9173.9175.9167.20109.9D487 Y489 G506D487-K504 HydrophobicContact CB-CD 4.38Å; D487-K504 WeakPolarHBondContact OD1-CE 3.49Å; D487-K504 IonicContact OD1-NZ 3.57Å; D487-K504 PolarHBondContact OD1-NZ 2.75Å; D487-K504 WeakPolarHBondContact OD2-CE 3.16Å; D487-K504 IonicContact OD2-NZ 3.23Å; D487-K504 PolarHBondContact OD2-NZ 2.72Å; Y489-K504 HydrophobicContact CD1-CB 3.75Å; Y489-K504 HydrophobicContact CD1-CG 4.42Å; Y489-K504 HydrophobicContact CE1-CB 3.64Å; Y489-K504 HydrophobicContact CE1-CD 4.45Å; Y489-K504 HydrophobicContact CE1-CG 4.15Å; K504-G506 VanDerWaalsContact CE-O 3.28Å; K504-G506 WeakPolarHBondContact CE-O 3.22Å
505I95.3Very high85.9Confident13 Ų1355 Ų557%0.06729%0.29CS..EExtended strand (participates in β ladder)trans-119.2-16.6-179.360.9165.5000113.6L488 L490 L521 W532 P535 V538 L545L488-I505 HydrophobicContact CB-CG1 4.26Å; L488-I505 HydrophobicContact CD2-CD1 3.62Å; L488-I505 HydrophobicContact CD2-CG1 3.77Å; L488-I505 HydrophobicContact CG-CD1 3.82Å; L488-I505 HydrophobicContact CG-CG1 3.65Å; L488-I505 WeakPolarHBondContact O-CG1 3.49Å; L488-I505 PolarHBondContact O-N 3.48Å; L490-I505 HydrophobicContact CB-CD1 4.25Å; L490-I505 HydrophobicContact CB-CG2 4.18Å; I505-L521 HydrophobicContact CD1-CD2 3.93Å; I505-W532 PolarHBondContact O-NE1 2.81Å; I505-P535 HydrophobicContact CD1-CB 4.38Å; I505-V538 HydrophobicContact CG2-CB 4.13Å; I505-V538 HydrophobicContact CG2-CG1 4.09Å; I505-V538 HydrophobicContact CG2-CG2 4.08Å; I505-L545 HydrophobicContact CB-CD2 3.97Å; I505-L545 HydrophobicContact CG2-CD2 3.89Å
506G93.1Very high86.8Confident7 Ų755.1 Ų55.17%0.07229%0.291CS..EExtended strand (participates in β ladder)trans-157.5167.5177.500000112.4L488 K504L488-G506 PolarHBondContact N-O 2.91Å; L488-G506 PolarHBondContact O-N 3.24Å; K504-G506 VanDerWaalsContact CE-O 3.28Å; K504-G506 WeakPolarHBondContact CE-O 3.22Å
507S94.2Very high88Confident47 Ų4750.3 Ų50.333%0.32927%0.272SS..EExtended strand (participates in β ladder)trans-138.1149.1177.653.30000110.2H486 D487 V509 Q525H486-S507 CarbonylContact O-C 3.54Å; D487-S507 WeakPolarHBondContact OD1-CA 3.23Å; D487-S507 VanDerWaalsContact OD1-CB 3.25Å; D487-S507 WeakPolarHBondContact OD1-CB 3.39Å; S507-V509 VanDerWaalsContact C-N 3.3Å; S507-Q525 VanDerWaalsContact O-CG 3.26Å; S507-Q525 WeakPolarHBondContact O-CG 3.42Å; S507-Q525 PolarHBondContact O-NE2 2.87Å
508M91.6Very high89.7Confident111 Ų11147.6 Ų47.655%0.54724%0.243SC..SBendtrans60.835.9-174.4-54.5177.7173.200113.2H486 H510 Q525 D526H486-M508 CarbonylContact O-C 3.58Å; H486-M508 WeakPolarHBondContact O-CA 3.25Å; H486-M508 PolarHBondContact O-N 2.76Å; M508-H510 PolarHBondContact O-CE1 2.87Å; M508-H510 PolarHBondContact O-ND1 2.7Å; M508-Q525 WeakPolarHBondContact O-CA 3.4Å; M508-D526 HydrophobicContact CB-CB 4.34Å; M508-D526 PolarHBondContact O-N 2.79Å; M508-D526 HydrophobicContact SD-CB 4.48Å
509V93.3Very high90.9Very high0 Ų042.8 Ų42.80%022%0.223CC..EExtended strand (participates in β ladder)trans-90.1120176.9-176.20000109.9I482 H486 L488 S507 I524 Q525 W532I482-V509 HydrophobicContact CD1-CG1 4.05Å; I482-V509 WeakPolarHBondContact CG2-O 3.44Å; H486-V509 WeakPolarHBondContact CB-O 3.41Å; H486-V509 PolarHBondContact ND1-O 2.87Å; H486-V509 PolarHBondContact O-N 2.75Å; L488-V509 HydrophobicContact CB-CB 4Å; L488-V509 HydrophobicContact CB-CG1 4.41Å; L488-V509 HydrophobicContact CB-CG2 3.76Å; L488-V509 HydrophobicContact CD2-CG1 4.36Å; L488-V509 HydrophobicContact CD2-CG2 4.23Å; S507-V509 VanDerWaalsContact C-N 3.3Å; V509-I524 VanDerWaalsContact CA-O 3.3Å; V509-I524 WeakPolarHBondContact CA-O 3.42Å; V509-Q525 HydrophobicContact CG2-CB 4.36Å; V509-Q525 HydrophobicContact CG2-CG 4.41Å; V509-W532 HydrophobicContact CG2-CH2 4.2Å
510H88.1Confident92.1Very high85 Ų8533.9 Ų33.939%0.39418%0.181SC..EExtended strand (participates in β ladder)trans-99.4-21.3-174.6-62.793.9000114.1H486 M508 I524H486-H510 AromaticContact CE1-CD2 3.83Å; H486-H510 AromaticContact ND1-CD2 3.75Å; M508-H510 PolarHBondContact O-CE1 2.87Å; M508-H510 PolarHBondContact O-ND1 2.7Å; H510-I524 PolarHBondContact N-O 2.96Å
511S91.6Very high92.9Very high0 Ų031.6 Ų31.60%017%0.167CC..EExtended strand (participates in β ladder)trans-156.3147.1-177.6175.60000108.8G523 I524 H562 I563S511-G523 WeakPolarHBondContact O-CA 3.34Å; S511-I524 PolarHBondContact O-N 3.07Å; S511-I524 VanDerWaalsContact O-N 3.09Å; S511-H562 PolarHBondContact OG-ND1 2.82Å; S511-I563 WeakPolarHBondContact OG-CB 3.35Å; S511-I563 PolarHBondContact OG-N 3.24Å
512M95Very high93.4Very high7 Ų727.3 Ų27.33%0.03415%0.148CC..EExtended strand (participates in β ladder)trans-140.8155179.163178.5168.300112.3E465 A467 A480 I482 L488 L521 C522E465-M512 HydrophobicContact CB-CE 3.92Å; E465-M512 HydrophobicContact CG-CE 3.68Å; E465-M512 WeakPolarHBondContact O-CE 3.41Å; E465-M512 WeakPolarHBondContact OE1-CG 3.26Å; A467-M512 HydrophobicContact CB-CE 3.82Å; A467-M512 HydrophobicContact CB-CG 4.4Å; A467-M512 HydrophobicContact CB-SD 4.17Å; A480-M512 HydrophobicContact CB-CE 4.47Å; A480-M512 HydrophobicContact CB-SD 3.63Å; I482-M512 HydrophobicContact CD1-CB 4.13Å; I482-M512 HydrophobicContact CD1-CE 4.1Å; I482-M512 HydrophobicContact CD1-CG 3.76Å; I482-M512 HydrophobicContact CD1-SD 3.92Å; I482-M512 HydrophobicContact CG1-CE 3.94Å; I482-M512 HydrophobicContact CG1-CG 4.38Å; I482-M512 HydrophobicContact CG1-SD 3.85Å; L488-M512 HydrophobicContact CD1-SD 3.65Å; M512-L521 HydrophobicContact CB-CD1 4.21Å; M512-C522 CarbonylContact C-O 3.52Å; M512-C522 VanDerWaalsContact CA-O 3.27Å; M512-C522 WeakPolarHBondContact CA-O 3.26Å
513A95.4Very high93.5Very high14 Ų1424.9 Ų24.912%0.11614%0.136CC..EExtended strand (participates in β ladder)trans-152.9136.5167.400000111.6C522 I563A513-C522 PolarHBondContact N-O 3.34Å; A513-C522 PolarHBondContact O-N 3.47Å; A513-C522 PolarHBondContact O-SG 3.48Å; A513-I563 HydrophobicContact CB-CB 4.4Å; A513-I563 HydrophobicContact CB-CG2 3.51Å
514W96.1Very high93.5Very high18 Ų1824.2 Ų24.27%0.06813%0.131CC..EExtended strand (participates in β ladder)trans-77.3148.1169.5-71.5102.3000111A467 L468 D469 A480 L490 L521 P535A467-W514 PolarHBondContact O-NE1 2.72Å; L468-W514 VanDerWaalsContact C-CD1 3.43Å; D469-W514 HydrophobicContact CB-CD2 4.18Å; D469-W514 HydrophobicContact CB-CE3 4.29Å; D469-W514 HydrophobicContact CB-CZ2 4.38Å; D469-W514 HydrophobicContact CB-CZ3 4.45Å; A480-W514 HydrophobicContact CB-CZ2 3.84Å; L490-W514 HydrophobicContact CD1-CH2 3.77Å; L490-W514 HydrophobicContact CD1-CZ2 3.66Å; W514-L521 HydrophobicContact CD2-CB 4.39Å; W514-L521 HydrophobicContact CD2-CD1 3.86Å; W514-L521 HydrophobicContact CE3-CB 4Å; W514-L521 HydrophobicContact CE3-CD1 4.33Å; W514-L521 HydrophobicContact CG-CD1 4.1Å; W514-L521 HydrophobicContact CH2-CB 4.18Å; W514-L521 HydrophobicContact CH2-CD2 4.47Å; W514-L521 HydrophobicContact CZ2-CD1 4.33Å; W514-L521 HydrophobicContact CZ2-CD2 4.32Å; W514-L521 HydrophobicContact CZ3-CB 3.9Å; W514-P535 HydrophobicContact CH2-CG 3.63Å; W514-P535 HydrophobicContact CZ3-CG 3.62Å
515N95.3Very high93.3Very high0 Ų022.5 Ų22.50%012%0.124CC..BIsolated β-bridgetrans-66.5150.6166.5-171.3-102.6000111.1S517 A518 I520 Y566 G568N515-S517 PolarHBondContact OD1-N 3.39Å; N515-S517 PolarHBondContact OD1-OG 3.12Å; N515-A518 WeakPolarHBondContact CB-O 3.35Å; N515-A518 PolarHBondContact OD1-N 3.27Å; N515-I520 HydrophobicContact CB-CB 4.04Å; N515-I520 PolarHBondContact N-O 2.79Å; N515-Y566 HydrophobicContact CB-CD1 3.65Å; N515-Y566 HydrophobicContact CB-CE1 3.6Å; N515-Y566 HydrophobicContact CB-CG 4.14Å; N515-Y566 VanDerWaalsContact ND2-CD2 3.32Å; N515-Y566 WeakPolarHBondContact ND2-CD2 3.45Å; N515-Y566 WeakPolarHBondContact ND2-CE2 3.41Å; N515-Y566 VanDerWaalsContact ND2-CZ 3.27Å; N515-G568 PolarHBondContact ND2-O 3.48Å
516D91.4Very high92.7Very high34 Ų3426.3 Ų26.318%0.18215%0.145CC..SBendtrans-73.2-24.2179.765.4-31.4000114.4C471 Y566 V567 G568C471-D516 PolarHBondContact SG-O 2.93Å; D516-Y566 PolarHBondContact N-O 3.41Å; D516-V567 WeakPolarHBondContact OD2-CG1 3.44Å; D516-G568 PolarHBondContact OD1-N 2.79Å
517S89.8Confident92.2Very high63 Ų6331 Ų3144%0.44117%0.167SC..SBendtrans-126.2-9.1-168.862.10000115.3C471 N515C471-S517 WeakPolarHBondContact SG-CA 3.46Å; C471-S517 PolarHBondContact SG-O 2.9Å; C471-S517 VanDerWaalsContact SG-O 3.39Å; N515-S517 PolarHBondContact OD1-N 3.39Å; N515-S517 PolarHBondContact OD1-OG 3.12Å
518A91.8Very high92Very high2 Ų232.4 Ų32.42%0.01717%0.168CC..SBendtrans-143.1158.2179.800000112.3C471 N515 I520 T590 H593C471-A518 PolarHBondContact SG-N 2.82Å; C471-A518 VanDerWaalsContact SG-N 3.36Å; N515-A518 WeakPolarHBondContact CB-O 3.35Å; N515-A518 PolarHBondContact OD1-N 3.27Å; A518-I520 HydrophobicContact CB-CD1 3.8Å; A518-I520 HydrophobicContact CB-CG1 3.85Å; A518-I520 PolarHBondContact O-N 3.02Å; A518-T590 HydrophobicContact CB-CG2 4.23Å; A518-H593 HydrophobicContact CB-CB 3.88Å
519N92.2Very high92Very high16 Ų1627.1 Ų27.19%0.08614%0.142CC..SBendtrans-75.466.6172.4-174.4-90000109.6D469 P535 S536 H593D469-N519 VanDerWaalsContact CG-ND2 3.35Å; D469-N519 PolarHBondContact OD2-ND2 3.04Å; N519-P535 VanDerWaalsContact O-CD 3.28Å; N519-P535 WeakPolarHBondContact O-CD 3.34Å; N519-S536 PolarHBondContact OD1-OG 3.45Å; N519-H593 PolarHBondContact O-CE1 2.85Å; N519-H593 PolarHBondContact O-NE2 3.41Å
520I95.4Very high92Very high0 Ų027.1 Ų27.10%014%0.142CC..  trans-122.6129.6177.1-55.9172.3000106.9N515 A518 V531 W532 Y566 S589 H593N515-I520 HydrophobicContact CB-CB 4.04Å; N515-I520 PolarHBondContact N-O 2.79Å; A518-I520 HydrophobicContact CB-CD1 3.8Å; A518-I520 HydrophobicContact CB-CG1 3.85Å; A518-I520 PolarHBondContact O-N 3.02Å; I520-V531 HydrophobicContact CG2-CG1 3.6Å; I520-W532 WeakPolarHBondContact CG2-O 3.44Å; I520-Y566 HydrophobicContact CB-CE1 4.13Å; I520-Y566 HydrophobicContact CG2-CE1 3.69Å; I520-S589 WeakPolarHBondContact CD1-OG 3.28Å; I520-H593 WeakPolarHBondContact CG1-NE2 3.31Å
521L96.5Very high92.4Very high0 Ų023 Ų230%012%0.124CC..EExtended strand (participates in β ladder)trans-111.8136.2178.4-177.663000108.7A480 L488 I505 M512 W514 V531 W532 P535A480-L521 HydrophobicContact CB-CD1 4.43Å; A480-L521 HydrophobicContact CB-CD2 3.99Å; L488-L521 HydrophobicContact CD1-CD2 4.46Å; L488-L521 HydrophobicContact CD2-CD2 3.91Å; I505-L521 HydrophobicContact CD1-CD2 3.93Å; M512-L521 HydrophobicContact CB-CD1 4.21Å; W514-L521 HydrophobicContact CD2-CB 4.39Å; W514-L521 HydrophobicContact CD2-CD1 3.86Å; W514-L521 HydrophobicContact CE3-CB 4Å; W514-L521 HydrophobicContact CE3-CD1 4.33Å; W514-L521 HydrophobicContact CG-CD1 4.1Å; W514-L521 HydrophobicContact CH2-CB 4.18Å; W514-L521 HydrophobicContact CH2-CD2 4.47Å; W514-L521 HydrophobicContact CZ2-CD1 4.33Å; W514-L521 HydrophobicContact CZ2-CD2 4.32Å; W514-L521 HydrophobicContact CZ3-CB 3.9Å; L521-V531 CarbonylContact O-C 3.59Å; L521-V531 WeakPolarHBondContact O-CA 3.32Å; L521-W532 HydrophobicContact CB-CB 4.42Å; L521-W532 HydrophobicContact CB-CE3 4.32Å; L521-W532 HydrophobicContact CD2-CE3 4.33Å; L521-W532 HydrophobicContact CG-CE3 4.11Å; L521-W532 PolarHBondContact N-O 3.16Å; L521-W532 VanDerWaalsContact N-O 3.13Å; L521-W532 PolarHBondContact O-N 3.29Å; L521-P535 HydrophobicContact CB-CG 4.12Å
522C95.6Very high92.6Very high0 Ų023 Ų230%012%0.124CC..EExtended strand (participates in β ladder)trans-116.8153.7167.770.20000110.4M512 A513 F529 T530 V531 Y566M512-C522 CarbonylContact C-O 3.52Å; M512-C522 VanDerWaalsContact CA-O 3.27Å; M512-C522 WeakPolarHBondContact CA-O 3.26Å; A513-C522 PolarHBondContact N-O 3.34Å; A513-C522 PolarHBondContact O-N 3.47Å; A513-C522 PolarHBondContact O-SG 3.48Å; C522-F529 HydrophobicContact CB-CE2 3.95Å; C522-F529 HydrophobicContact CB-CZ 4.03Å; C522-T530 CarbonylContact C-O 3.29Å; C522-T530 WeakPolarHBondContact CA-O 3.24Å; C522-V531 HydrophobicContact CB-CG2 4.15Å; C522-Y566 HydrophobicContact CB-CD1 4.21Å; C522-Y566 HydrophobicContact CB-CE1 4.43Å
523G94.6Very high92.6Very high0 Ų022.9 Ų22.90%012%0.123CC..EExtended strand (participates in β ladder)trans-159.4158.5-179.700000112.4S511 T530 I563S511-G523 WeakPolarHBondContact O-CA 3.34Å; G523-T530 PolarHBondContact N-O 3.04Å; G523-T530 PolarHBondContact O-N 2.84Å; G523-I563 VanDerWaalsContact CA-CD1 3.49Å
524I92.4Very high92.5Very high2 Ų223.5 Ų23.51%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-98.7106.8174.1-65.3160.9000107.5V509 H510 S511 P561 I563 L573V509-I524 VanDerWaalsContact CA-O 3.3Å; V509-I524 WeakPolarHBondContact CA-O 3.42Å; H510-I524 PolarHBondContact N-O 2.96Å; S511-I524 PolarHBondContact O-N 3.07Å; S511-I524 VanDerWaalsContact O-N 3.09Å; I524-P561 HydrophobicContact CD1-CB 3.72Å; I524-P561 HydrophobicContact CD1-CG 3.77Å; I524-P561 WeakPolarHBondContact CD1-O 3.33Å; I524-P561 HydrophobicContact CG1-CG 4.39Å; I524-P561 HydrophobicContact CG2-CG 3.98Å; I524-I563 HydrophobicContact CD1-CD1 4.31Å; I524-I563 HydrophobicContact CD1-CG1 3.82Å; I524-I563 HydrophobicContact CG1-CD1 4.05Å; I524-I563 HydrophobicContact CG1-CG1 4.05Å; I524-L573 HydrophobicContact CD1-CD2 4.14Å
525Q90Very high92.4Very high53 Ų5322.7 Ų22.725%0.24812%0.119CC..EExtended strand (participates in β ladder)trans-101.6108.1-178.7-175.8169.9-16.300109.3S507 M508 V509 I527 Q528S507-Q525 VanDerWaalsContact O-CG 3.26Å; S507-Q525 WeakPolarHBondContact O-CG 3.42Å; S507-Q525 PolarHBondContact O-NE2 2.87Å; M508-Q525 WeakPolarHBondContact O-CA 3.4Å; V509-Q525 HydrophobicContact CG2-CB 4.36Å; V509-Q525 HydrophobicContact CG2-CG 4.41Å; Q525-I527 PolarHBondContact O-N 2.89Å; Q525-Q528 PolarHBondContact N-O 3.1Å; Q525-Q528 PolarHBondContact O-N 2.94Å
526D84.6Confident92.3Very high94 Ų9423.2 Ų23.250%0.50312%0.123SC..THydrogen-bonded Turntrans54.5-98.6-169.5-168.219.8000111.1M508M508-D526 HydrophobicContact CB-CB 4.34Å; M508-D526 PolarHBondContact O-N 2.79Å; M508-D526 HydrophobicContact SD-CB 4.48Å
527I81.3Confident92.3Very high106 Ų10621.6 Ų21.654%0.54411%0.114SC..THydrogen-bonded Turntrans-110.3-12.7175.6-54.9169.1000111.2Q525 G554Q525-I527 PolarHBondContact O-N 2.89Å; I527-G554 VanDerWaalsContact O-CA 3.23Å; I527-G554 WeakPolarHBondContact O-CA 3.32Å
528Q89.3Confident92.4Very high75 Ų7518.9 Ų18.935%0.3510%0.095SC..EExtended strand (participates in β ladder)trans-91141.8-172.8-66.6-177.3-33.100112.7Q525 D553Q525-Q528 PolarHBondContact N-O 3.1Å; Q525-Q528 PolarHBondContact O-N 2.94Å; Q528-D553 PolarHBondContact NE2-OD1 3.15Å
529F92Very high92.2Very high0 Ų020 Ų200%010%0.1CC..EExtended strand (participates in β ladder)trans-84.3116169.4173.9-104.9000109.2C522 V531 T551 K552 F557 V571 V585C522-F529 HydrophobicContact CB-CE2 3.95Å; C522-F529 HydrophobicContact CB-CZ 4.03Å; F529-V531 HydrophobicContact CD1-CG2 4.17Å; F529-V531 HydrophobicContact CE1-CG2 3.36Å; F529-V531 HydrophobicContact CE2-CG2 4.46Å; F529-V531 HydrophobicContact CZ-CG2 3.53Å; F529-T551 WeakPolarHBondContact O-CA 3.45Å; F529-K552 HydrophobicContact CB-CB 4.43Å; F529-K552 HydrophobicContact CD1-CB 4.19Å; F529-K552 PolarHBondContact N-O 2.74Å; F529-K552 PolarHBondContact O-N 3.37Å; F529-F557 HydrophobicContact CB-CE2 3.62Å; F529-F557 HydrophobicContact CB-CZ 4.02Å; F529-V571 HydrophobicContact CE2-CB 4.33Å; F529-V571 HydrophobicContact CE2-CG1 3.94Å; F529-V571 HydrophobicContact CE2-CG2 4.38Å; F529-V571 HydrophobicContact CZ-CB 4.13Å; F529-V571 HydrophobicContact CZ-CG1 4.23Å; F529-V571 HydrophobicContact CZ-CG2 3.87Å; F529-V585 HydrophobicContact CE1-CG2 4.24Å; F529-V585 HydrophobicContact CZ-CG2 4.21Å
530T94Very high92Very high0 Ų020.4 Ų20.40%010%0.102CC..EExtended strand (participates in β ladder)trans-116.5134.2-173.3-57.80000110.2C522 G523 W532 I549 Y550 T551C522-T530 CarbonylContact C-O 3.29Å; C522-T530 WeakPolarHBondContact CA-O 3.24Å; G523-T530 PolarHBondContact N-O 3.04Å; G523-T530 PolarHBondContact O-N 2.84Å; T530-W532 HydrophobicContact CG2-CD2 4.25Å; T530-W532 HydrophobicContact CG2-CE3 4.3Å; T530-W532 HydrophobicContact CG2-CH2 3.74Å; T530-W532 HydrophobicContact CG2-CZ2 3.68Å; T530-W532 HydrophobicContact CG2-CZ3 4.07Å; T530-I549 HydrophobicContact CG2-CG2 3.43Å; T530-I549 VanDerWaalsContact CG2-CG2 3.43Å; T530-Y550 WeakPolarHBondContact CA-O 3.28Å; T530-T551 HydrophobicContact CG2-CG2 4.1Å
531V95.4Very high91.6Very high0 Ų020.9 Ų20.90%011%0.105CC..EExtended strand (participates in β ladder)trans-123.9120177.5-176.20000108.6I520 L521 C522 F529 Y533 I549 Y550 V585I520-V531 HydrophobicContact CG2-CG1 3.6Å; L521-V531 CarbonylContact O-C 3.59Å; L521-V531 WeakPolarHBondContact O-CA 3.32Å; C522-V531 HydrophobicContact CB-CG2 4.15Å; F529-V531 HydrophobicContact CD1-CG2 4.17Å; F529-V531 HydrophobicContact CE1-CG2 3.36Å; F529-V531 HydrophobicContact CE2-CG2 4.46Å; F529-V531 HydrophobicContact CZ-CG2 3.53Å; V531-Y533 HydrophobicContact CG1-CD1 3.98Å; V531-Y533 HydrophobicContact CG1-CE1 4.06Å; V531-I549 WeakPolarHBondContact O-CA 3.44Å; V531-Y550 HydrophobicContact CB-CD1 4.34Å; V531-Y550 HydrophobicContact CG2-CD1 4.17Å; V531-Y550 PolarHBondContact N-O 3.27Å; V531-Y550 PolarHBondContact O-N 2.95Å; V531-V585 HydrophobicContact CG1-CG1 4.04Å; V531-V585 HydrophobicContact CG2-CG2 3.91Å
532W95.9Very high91.2Very high0 Ų027.9 Ų27.90%014%0.136CC..EExtended strand (participates in β ladder)trans-89.9104.2168.9-63-94.7000107.9L488 I505 V509 I520 L521 T530 Y534 P535 I549L488-W532 HydrophobicContact CD2-CE3 4.32Å; L488-W532 HydrophobicContact CD2-CH2 3.56Å; L488-W532 HydrophobicContact CD2-CZ2 3.88Å; L488-W532 HydrophobicContact CD2-CZ3 3.79Å; I505-W532 PolarHBondContact O-NE1 2.81Å; V509-W532 HydrophobicContact CG2-CH2 4.2Å; I520-W532 WeakPolarHBondContact CG2-O 3.44Å; L521-W532 HydrophobicContact CB-CB 4.42Å; L521-W532 HydrophobicContact CB-CE3 4.32Å; L521-W532 HydrophobicContact CD2-CE3 4.33Å; L521-W532 HydrophobicContact CG-CE3 4.11Å; L521-W532 PolarHBondContact N-O 3.16Å; L521-W532 VanDerWaalsContact N-O 3.13Å; L521-W532 PolarHBondContact O-N 3.29Å; T530-W532 HydrophobicContact CG2-CD2 4.25Å; T530-W532 HydrophobicContact CG2-CE3 4.3Å; T530-W532 HydrophobicContact CG2-CH2 3.74Å; T530-W532 HydrophobicContact CG2-CZ2 3.68Å; T530-W532 HydrophobicContact CG2-CZ3 4.07Å; W532-Y534 VanDerWaalsContact C-N 3.26Å; W532-Y534 PolarHBondContact O-N 2.92Å; W532-P535 HydrophobicContact CB-CB 3.93Å; W532-P535 HydrophobicContact CB-CG 4.4Å; W532-I549 HydrophobicContact CG-CG1 4.3Å
533Y95.1Very high90.9Very high4 Ų434.7 Ų34.72%0.01617%0.167CC..SBendtrans-65.5-30.3180-69.8-47.5000113V531 T548 Y550 V585 H593 C619V531-Y533 HydrophobicContact CG1-CD1 3.98Å; V531-Y533 HydrophobicContact CG1-CE1 4.06Å; Y533-T548 WeakPolarHBondContact CB-O 3.36Å; Y533-T548 WeakPolarHBondContact CD2-O 3.43Å; Y533-T548 PolarHBondContact N-O 2.61Å; Y533-Y550 WeakPolarHBondContact OH-CB 3.17Å; Y533-V585 HydrophobicContact CE1-CG1 3.77Å; Y533-H593 PolarHBondContact O-NE2 2.98Å; Y533-C619 WeakPolarHBondContact CB-SG 3.37Å
534Y94.4Very high90.7Very high27 Ų2734.9 Ų34.911%0.10617%0.168CC..  trans-147.175.9175.9-172.3-127000110.9W532 S536 V537 H593 M623W532-Y534 VanDerWaalsContact C-N 3.26Å; W532-Y534 PolarHBondContact O-N 2.92Å; Y534-S536 PolarHBondContact O-N 2.86Å; Y534-V537 HydrophobicContact CD1-CB 3.64Å; Y534-V537 HydrophobicContact CD1-CG2 4.25Å; Y534-V537 HydrophobicContact CE1-CB 4.05Å; Y534-V537 VanDerWaalsContact O-CB 3.32Å; Y534-V537 WeakPolarHBondContact O-CB 3.29Å; Y534-V537 WeakPolarHBondContact O-CG1 3.46Å; Y534-V537 PolarHBondContact O-N 2.8Å; Y534-V537 VanDerWaalsContact O-N 3.09Å; Y534-H593 AromaticContact CD2-CE1 3.73Å; Y534-M623 HydrophobicContact CD1-CG 4.05Å; Y534-M623 HydrophobicContact CD2-CE 3.7Å; Y534-M623 HydrophobicContact CD2-CG 4.07Å; Y534-M623 HydrophobicContact CE1-CG 3.93Å; Y534-M623 HydrophobicContact CE2-CE 4.28Å; Y534-M623 HydrophobicContact CE2-CG 3.9Å; Y534-M623 HydrophobicContact CG-CE 3.91Å; Y534-M623 HydrophobicContact CG-CG 4.15Å
535P94.2Very high90.7Very high0 Ų035.4 Ų35.40%017%0.171CC..G310 helixtrans-63.9-26.2-175.828-33.9000112.3L490 I505 W514 N519 L521 W532 V537 V538L490-P535 HydrophobicContact CD2-CB 4.01Å; L490-P535 WeakPolarHBondContact CD2-O 3.34Å; I505-P535 HydrophobicContact CD1-CB 4.38Å; W514-P535 HydrophobicContact CH2-CG 3.63Å; W514-P535 HydrophobicContact CZ3-CG 3.62Å; N519-P535 VanDerWaalsContact O-CD 3.28Å; N519-P535 WeakPolarHBondContact O-CD 3.34Å; L521-P535 HydrophobicContact CB-CG 4.12Å; W532-P535 HydrophobicContact CB-CB 3.93Å; W532-P535 HydrophobicContact CB-CG 4.4Å; P535-V537 PolarHBondContact O-N 2.75Å; P535-V537 VanDerWaalsContact O-N 3.12Å; P535-V538 WeakPolarHBondContact O-CG1 3.44Å; P535-V538 PolarHBondContact O-N 2.89Å
536S91.6Very high90.9Very high12 Ų1237.3 Ų37.38%0.08419%0.188CC..G310 helixtrans-62.2-15.6175.8-63.60000113.9N519 Y534 V538 F539N519-S536 PolarHBondContact OD1-OG 3.45Å; Y534-S536 PolarHBondContact O-N 2.86Å; S536-V538 PolarHBondContact O-N 3.42Å; S536-V538 VanDerWaalsContact O-N 3.09Å; S536-F539 WeakPolarHBondContact O-CD2 3.45Å; S536-F539 PolarHBondContact O-N 2.79Å; S536-F539 VanDerWaalsContact O-N 3.07Å
537V92.5Very high91.3Very high0 Ų037.2 Ų37.20%018%0.18CC..G310 helixtrans-56-26.5173.777.40000112.4Y534 P535 F539 T540 D541 L544 L545 T548Y534-V537 HydrophobicContact CD1-CB 3.64Å; Y534-V537 HydrophobicContact CD1-CG2 4.25Å; Y534-V537 HydrophobicContact CE1-CB 4.05Å; Y534-V537 VanDerWaalsContact O-CB 3.32Å; Y534-V537 WeakPolarHBondContact O-CB 3.29Å; Y534-V537 WeakPolarHBondContact O-CG1 3.46Å; Y534-V537 PolarHBondContact O-N 2.8Å; Y534-V537 VanDerWaalsContact O-N 3.09Å; P535-V537 PolarHBondContact O-N 2.75Å; P535-V537 VanDerWaalsContact O-N 3.12Å; V537-F539 PolarHBondContact O-N 3.25Å; V537-T540 CarbonylContact O-C 3.6Å; V537-T540 PolarHBondContact O-N 2.94Å; V537-T540 PolarHBondContact O-OG1 2.88Å; V537-T540 VanDerWaalsContact O-OG1 3.11Å; V537-D541 CarbonylContact O-C 3.22Å; V537-D541 VanDerWaalsContact O-C 3.29Å; V537-D541 PolarHBondContact O-N 3.41Å; V537-L544 HydrophobicContact CG2-CB 4Å; V537-L544 HydrophobicContact CG2-CD2 3.93Å; V537-L544 HydrophobicContact CG2-CG 4.23Å; V537-L545 HydrophobicContact CG1-CB 3.92Å; V537-L545 HydrophobicContact CG1-CD1 3.61Å; V537-L545 HydrophobicContact CG1-CG 4.4Å; V537-T548 HydrophobicContact CG1-CG2 4.26Å
538V91.7Very high91.9Very high5 Ų532.1 Ų32.13%0.0316%0.155CC..G310 helixtrans-60.3-21.9178.877.40000113.4L490 C503 I505 P535 S536 K542 L545L490-V538 HydrophobicContact CD2-CG1 4.01Å; C503-V538 HydrophobicContact CB-CB 4.42Å; C503-V538 HydrophobicContact CB-CG1 3.82Å; C503-V538 HydrophobicContact CB-CG2 3.69Å; I505-V538 HydrophobicContact CG2-CB 4.13Å; I505-V538 HydrophobicContact CG2-CG1 4.09Å; I505-V538 HydrophobicContact CG2-CG2 4.08Å; P535-V538 WeakPolarHBondContact O-CG1 3.44Å; P535-V538 PolarHBondContact O-N 2.89Å; S536-V538 PolarHBondContact O-N 3.42Å; S536-V538 VanDerWaalsContact O-N 3.09Å; V538-K542 HydrophobicContact CG2-CG 4.2Å; V538-L545 HydrophobicContact CG2-CD2 4.31Å
539F88.2Confident92.1Very high27 Ų2730.5 Ų30.512%0.11815%0.148CC..G310 helixtrans-86.3-21.6176.1-57.2-66.5000113.1K478 L490 K501 S536 V537 H671K478-F539 HydrophobicContact CD-CE2 3.84Å; K478-F539 HydrophobicContact CD-CZ 4.47Å; L490-F539 HydrophobicContact CB-CZ 4.38Å; L490-F539 HydrophobicContact CD2-CD2 4.45Å; L490-F539 HydrophobicContact CD2-CE2 3.53Å; L490-F539 HydrophobicContact CD2-CZ 4.03Å; L490-F539 HydrophobicContact CG-CE2 3.93Å; L490-F539 HydrophobicContact CG-CZ 3.99Å; K501-F539 HydrophobicContact CD-CD1 4.43Å; S536-F539 WeakPolarHBondContact O-CD2 3.45Å; S536-F539 PolarHBondContact O-N 2.79Å; S536-F539 VanDerWaalsContact O-N 3.07Å; V537-F539 PolarHBondContact O-N 3.25Å; F539-H671 PolarHBondContact O-CE1 2.75Å
540T86.6Confident92.1Very high23 Ų2334 Ų3414%0.14116%0.162CC..THydrogen-bonded Turntrans-103.6-50.6-179.552.40000112.4V537 A626 S669V537-T540 CarbonylContact O-C 3.6Å; V537-T540 PolarHBondContact O-N 2.94Å; V537-T540 PolarHBondContact O-OG1 2.88Å; V537-T540 VanDerWaalsContact O-OG1 3.11Å; T540-A626 HydrophobicContact CG2-CB 3.99Å; T540-S669 VanDerWaalsContact O-CA 3.28Å; T540-S669 WeakPolarHBondContact O-CA 3.42Å
541D87.2Confident91.9Very high10 Ų1037.6 Ų37.65%0.05318%0.183CC..  trans-144101.4174.7-167.1-6.7000110.9V537 E543 L544 R645 F668V537-D541 CarbonylContact O-C 3.22Å; V537-D541 VanDerWaalsContact O-C 3.29Å; V537-D541 PolarHBondContact O-N 3.41Å; D541-E543 PolarHBondContact O-N 3.09Å; D541-E543 PolarHBondContact OD1-N 3.11Å; D541-E543 VanDerWaalsContact OD1-N 3.12Å; D541-L544 HydrophobicContact CB-CB 3.99Å; D541-L544 PolarHBondContact O-N 3.49Å; D541-R645 IonicContact OD1-CZ 2.78Å; D541-R645 IonicContact OD1-NH1 3.31Å; D541-R645 IonicContact OD1-NH2 2.71Å; D541-R645 PolarHBondContact OD1-NH2 2.92Å; D541-R645 IonicContact OD2-CZ 2.61Å; D541-R645 IonicContact OD2-NE 3.79Å; D541-R645 IonicContact OD2-NH1 2.83Å; D541-R645 PolarHBondContact OD2-NH1 2.88Å; D541-R645 IonicContact OD2-NH2 3.65Å; D541-R645 PolarHBondContact OD2-NH2 3.44Å; D541-F668 HydrophobicContact CB-CE1 4.34Å
542K87.9Confident91.6Very high148 Ų14840.3 Ų40.364%0.64320%0.195SC*.G310 helixtrans-63.9-30.5-180-176.7176.8177.9-173.20112.5V538 L544 L545V538-K542 HydrophobicContact CG2-CG 4.2Å; K542-L544 PolarHBondContact O-N 3.27Å; K542-L545 WeakPolarHBondContact O-CB 3.25Å; K542-L545 PolarHBondContact O-N 2.84Å
543E89.3Confident90.9Very high143 Ų14345.3 Ų45.367%0.66822%0.222SC*.G310 helixtrans-72.7-22.5-178.4-63.5-178.5157.900112D541 P546 R645D541-E543 PolarHBondContact O-N 3.09Å; D541-E543 PolarHBondContact OD1-N 3.11Å; D541-E543 VanDerWaalsContact OD1-N 3.12Å; E543-P546 WeakPolarHBondContact O-CD 3.23Å; E543-R645 IonicContact OE2-CZ 2.66Å; E543-R645 IonicContact OE2-NE 3.73Å; E543-R645 IonicContact OE2-NH2 3.42Å; E543-R645 PolarHBondContact OE2-NH2 3.43Å
544L91.4Very high89.7Confident4 Ų445.2 Ų45.22%0.02122%0.222CC..G310 helixtrans-80.3-20.4179.3-165.459.8000112.9V537 D541 K542 R547 T548 A618 A621 Y637 I640V537-L544 HydrophobicContact CG2-CB 4Å; V537-L544 HydrophobicContact CG2-CD2 3.93Å; V537-L544 HydrophobicContact CG2-CG 4.23Å; D541-L544 HydrophobicContact CB-CB 3.99Å; D541-L544 PolarHBondContact O-N 3.49Å; K542-L544 PolarHBondContact O-N 3.27Å; L544-R547 HydrophobicContact CD1-CB 4.34Å; L544-R547 WeakPolarHBondContact O-CB 3.41Å; L544-R547 PolarHBondContact O-N 2.86Å; L544-T548 HydrophobicContact CG-CG2 4.4Å; L544-T548 PolarHBondContact O-N 3.14Å; L544-A618 HydrophobicContact CD1-CB 3.81Å; L544-A618 VanDerWaalsContact CD2-O 3.3Å; L544-A618 WeakPolarHBondContact CD2-O 3.44Å; L544-A618 HydrophobicContact CG-CB 4.14Å; L544-A621 HydrophobicContact CD2-CB 4.13Å; L544-Y637 HydrophobicContact CD2-CE1 3.95Å; L544-I640 HydrophobicContact CD1-CD1 4.27Å
545L92.5Very high88.7Confident13 Ų1349.2 Ų49.27%0.06825%0.254CS..G310 helixtrans-50.1-50-175.8-179.470.6000113.2I505 V537 V538 K542 R547 T548 I549I505-L545 HydrophobicContact CB-CD2 3.97Å; I505-L545 HydrophobicContact CG2-CD2 3.89Å; V537-L545 HydrophobicContact CG1-CB 3.92Å; V537-L545 HydrophobicContact CG1-CD1 3.61Å; V537-L545 HydrophobicContact CG1-CG 4.4Å; V538-L545 HydrophobicContact CG2-CD2 4.31Å; K542-L545 WeakPolarHBondContact O-CB 3.25Å; K542-L545 PolarHBondContact O-N 2.84Å; L545-R547 PolarHBondContact O-N 2.9Å; L545-R547 VanDerWaalsContact O-N 3.13Å; L545-T548 PolarHBondContact O-N 3.29Å; L545-T548 PolarHBondContact O-OG1 3.15Å; L545-I549 WeakPolarHBondContact O-CG1 3.35Å
546P93.8Very high87.6Confident92 Ų9254.4 Ų54.460%0.59728%0.278SS*.G310 helixtrans-60-27.2-179.3-22.935.2000114.1E543 T548E543-P546 WeakPolarHBondContact O-CD 3.23Å; P546-T548 VanDerWaalsContact C-N 3.35Å
547R93.2Very high86.8Confident92 Ų9254.8 Ų54.835%0.34728%0.278SS..G310 helixtrans-79.1-18.8178-61.3-169.7-177.3-135.216.3112.9L544 L545 I549 S615 A618 I640 E642L544-R547 HydrophobicContact CD1-CB 4.34Å; L544-R547 WeakPolarHBondContact O-CB 3.41Å; L544-R547 PolarHBondContact O-N 2.86Å; L545-R547 PolarHBondContact O-N 2.9Å; L545-R547 VanDerWaalsContact O-N 3.13Å; R547-I549 VanDerWaalsContact C-N 3.3Å; R547-S615 VanDerWaalsContact O-CA 3.28Å; R547-S615 WeakPolarHBondContact O-CA 3.46Å; R547-S615 WeakPolarHBondContact O-CB 3.42Å; R547-S615 PolarHBondContact O-OG 3.13Å; R547-A618 HydrophobicContact CB-CB 3.84Å; R547-I640 PolarHBondContact NH1-O 3.43Å; R547-E642 IonicContact CZ-OE1 3.08Å; R547-E642 IonicContact NE-OE1 2.74Å; R547-E642 IonicContact NH2-OE1 3.46Å; R547-E642 PolarHBondContact NH2-OE1 2.71Å
548T93.6Very high85.7Confident0 Ų056.6 Ų56.60%029%0.291CS..G310 helixtrans-89.76.7178.465.80000113.7Y533 V537 L544 L545 P546 A618Y533-T548 WeakPolarHBondContact CB-O 3.36Å; Y533-T548 WeakPolarHBondContact CD2-O 3.43Å; Y533-T548 PolarHBondContact N-O 2.61Å; V537-T548 HydrophobicContact CG1-CG2 4.26Å; L544-T548 HydrophobicContact CG-CG2 4.4Å; L544-T548 PolarHBondContact O-N 3.14Å; L545-T548 PolarHBondContact O-N 3.29Å; L545-T548 PolarHBondContact O-OG1 3.15Å; P546-T548 VanDerWaalsContact C-N 3.35Å; T548-A618 HydrophobicContact CG2-CB 3.85Å
549I93.4Very high84.7Confident40 Ų4065 Ų6521%0.20533%0.33CS..EExtended strand (participates in β ladder)trans-102.6133.5-175.3-61.9171.4000109.7T530 V531 W532 L545 R547 T551T530-I549 HydrophobicContact CG2-CG2 3.43Å; T530-I549 VanDerWaalsContact CG2-CG2 3.43Å; V531-I549 WeakPolarHBondContact O-CA 3.44Å; W532-I549 HydrophobicContact CG-CG1 4.3Å; L545-I549 WeakPolarHBondContact O-CG1 3.35Å; R547-I549 VanDerWaalsContact C-N 3.3Å; I549-T551 HydrophobicContact CG2-CG2 3.95Å
550Y91.8Very high84Confident75 Ų7567.7 Ų67.729%0.29436%0.357SS..EExtended strand (participates in β ladder)trans-105.2129.9165170.7-101000109.3T530 V531 Y533 K552T530-Y550 WeakPolarHBondContact CA-O 3.28Å; V531-Y550 HydrophobicContact CB-CD1 4.34Å; V531-Y550 HydrophobicContact CG2-CD1 4.17Å; V531-Y550 PolarHBondContact N-O 3.27Å; V531-Y550 PolarHBondContact O-N 2.95Å; Y533-Y550 WeakPolarHBondContact OH-CB 3.17Å; Y550-K552 HydrophobicContact CE1-CB 4.1Å
551T91Very high84Confident75 Ų7567.1 Ų67.146%0.4635%0.354SS..EExtended strand (participates in β ladder)trans-118.1136.5175.349.50000109.4F529 T530 I549F529-T551 WeakPolarHBondContact O-CA 3.45Å; T530-T551 HydrophobicContact CG2-CG2 4.1Å; I549-T551 HydrophobicContact CG2-CG2 3.95Å
552K88Confident84.1Confident57 Ų5769.5 Ų69.525%0.24836%0.364CS..EExtended strand (participates in β ladder)trans-118.1129.6169.4-168.4-171.9179.6-163.40107.9F529 Y550 G554 E556F529-K552 HydrophobicContact CB-CB 4.43Å; F529-K552 HydrophobicContact CD1-CB 4.19Å; F529-K552 PolarHBondContact N-O 2.74Å; F529-K552 PolarHBondContact O-N 3.37Å; Y550-K552 HydrophobicContact CE1-CB 4.1Å; K552-G554 PolarHBondContact O-N 2.77Å; K552-E556 IonicContact NZ-OE1 2.65Å; K552-E556 PolarHBondContact NZ-OE1 2.83Å; K552-E556 IonicContact NZ-OE2 2.79Å; K552-E556 PolarHBondContact NZ-OE2 3.05Å
553D81.9Confident84.3Confident105 Ų10562.8 Ų62.856%0.56134%0.336SS*.  trans-59.5129.3174.4-80.2-28.4000110.4Q528 S555Q528-D553 PolarHBondContact NE2-OD1 3.15Å; D553-S555 VanDerWaalsContact C-N 3.29Å; D553-S555 PolarHBondContact O-N 2.8Å
554G70.2Confident84.4Confident2 Ų260.2 Ų60.22%0.02133%0.326CS..G310 helixtrans-9325.7-176.200000114.4I527 K552 E556 F557I527-G554 VanDerWaalsContact O-CA 3.23Å; I527-G554 WeakPolarHBondContact O-CA 3.32Å; K552-G554 PolarHBondContact O-N 2.77Å; G554-E556 PolarHBondContact O-N 2.87Å; G554-E556 VanDerWaalsContact O-N 3.1Å; G554-F557 PolarHBondContact O-N 2.85Å
555S73.1Confident84.4Confident110 Ų11062 Ų6277%0.76934%0.339SS*.G310 helixtrans-57.3-20.5170530000112.8D553 F557D553-S555 VanDerWaalsContact C-N 3.29Å; D553-S555 PolarHBondContact O-N 2.8Å; S555-F557 VanDerWaalsContact C-N 3.29Å
556E70.1Confident84.5Confident109 Ų10961.6 Ų61.651%0.50934%0.336SS..G310 helixtrans-75.4-14.7172.7-64175.6-174.300113.4K552 G554 Q575K552-E556 IonicContact NZ-OE1 2.65Å; K552-E556 PolarHBondContact NZ-OE1 2.83Å; K552-E556 IonicContact NZ-OE2 2.79Å; K552-E556 PolarHBondContact NZ-OE2 3.05Å; G554-E556 PolarHBondContact O-N 2.87Å; G554-E556 VanDerWaalsContact O-N 3.1Å; E556-Q575 PolarHBondContact O-NE2 3.21Å; E556-Q575 VanDerWaalsContact O-NE2 3.13Å
557F74.8Confident84.4Confident20 Ų2058.7 Ų58.79%0.08832%0.317CS..SBendtrans-101.2139.9-177.3-47-54.7000111.4F529 G554 S555 P561 L573 V581F529-F557 HydrophobicContact CB-CE2 3.62Å; F529-F557 HydrophobicContact CB-CZ 4.02Å; G554-F557 PolarHBondContact O-N 2.85Å; S555-F557 VanDerWaalsContact C-N 3.29Å; F557-P561 HydrophobicContact CB-CB 4.28Å; F557-P561 HydrophobicContact CB-CG 3.82Å; F557-P561 HydrophobicContact CG-CG 4.27Å; F557-L573 HydrophobicContact CD1-CD1 4.03Å; F557-L573 HydrophobicContact CE1-CD1 3.27Å; F557-L573 HydrophobicContact CZ-CD1 3.58Å; F557-V581 HydrophobicContact CD1-CG1 4.42Å; F557-V581 HydrophobicContact CE1-CG1 4.08Å
558S70.5Confident84.2Confident39 Ų3955.7 Ų55.727%0.27331%0.314SS..  trans-74.2177.2168.462.50000111.7A560 P561 Q575 G576S558-A560 PolarHBondContact O-N 2.75Å; S558-P561 WeakPolarHBondContact O-CD 3.39Å; S558-Q575 VanDerWaalsContact OG-CB 3.26Å; S558-Q575 WeakPolarHBondContact OG-CB 3.44Å; S558-Q575 PolarHBondContact OG-OE1 2.83Å; S558-G576 PolarHBondContact OG-N 2.8Å
559H70.1Confident84.1Confident180 Ų18058.3 Ų58.383%0.83333%0.331SS*.SBendtrans-55.5131.1179.1-75.1-66.2000112.4G576H559-G576 WeakPolarHBondContact O-CA 3.19Å
560A74.3Confident84Confident85 Ų8560.4 Ų60.470%0.70234%0.338SS*.SBendtrans54.763.7175.300000115.2S558S558-A560 PolarHBondContact O-N 2.75Å
561P86.4Confident84.1Confident11 Ų1156.9 Ų56.97%0.07132%0.324CS..  trans-67.5155.4172.323.2-19000110.9I524 F557 S558 R574I524-P561 HydrophobicContact CD1-CB 3.72Å; I524-P561 HydrophobicContact CD1-CG 3.77Å; I524-P561 WeakPolarHBondContact CD1-O 3.33Å; I524-P561 HydrophobicContact CG1-CG 4.39Å; I524-P561 HydrophobicContact CG2-CG 3.98Å; F557-P561 HydrophobicContact CB-CB 4.28Å; F557-P561 HydrophobicContact CB-CG 3.82Å; F557-P561 HydrophobicContact CG-CG 4.27Å; S558-P561 WeakPolarHBondContact O-CD 3.39Å; P561-R574 CarbonylContact C-O 3.57Å; P561-R574 VanDerWaalsContact CA-O 3.3Å; P561-R574 WeakPolarHBondContact CA-O 3.44Å
562H88.7Confident84.2Confident59 Ų5954 Ų5427%0.27331%0.306SS..EExtended strand (participates in β ladder)trans-130133.4176.9-167.572.6000110.1S511 L573 R574S511-H562 PolarHBondContact OG-ND1 2.82Å; H562-L573 CarbonylContact O-C 3.56Å; H562-L573 WeakPolarHBondContact O-CA 3.12Å; H562-R574 PolarHBondContact N-O 3.06Å; H562-R574 PolarHBondContact O-N 2.8Å
563I92.4Very high84.3Confident7 Ų751.2 Ų51.24%0.03630%0.295CS..EExtended strand (participates in β ladder)trans-80.4126.9177-59.4157.6000108.7S511 A513 G523 I524 V571 L573S511-I563 WeakPolarHBondContact OG-CB 3.35Å; S511-I563 PolarHBondContact OG-N 3.24Å; A513-I563 HydrophobicContact CB-CB 4.4Å; A513-I563 HydrophobicContact CB-CG2 3.51Å; G523-I563 VanDerWaalsContact CA-CD1 3.49Å; I524-I563 HydrophobicContact CD1-CD1 4.31Å; I524-I563 HydrophobicContact CD1-CG1 3.82Å; I524-I563 HydrophobicContact CG1-CD1 4.05Å; I524-I563 HydrophobicContact CG1-CG1 4.05Å; I563-V571 HydrophobicContact CG2-CG1 3.79Å; I563-L573 HydrophobicContact CB-CD2 4.15Å; I563-L573 HydrophobicContact CG1-CD2 3.38Å
564L90.5Very high84.7Confident89 Ų8949 Ų4947%0.46628%0.278SS..EExtended strand (participates in β ladder)trans-93.2-42.2176.9-63.5-179.2000112T572 R574 L580L564-T572 HydrophobicContact CB-CG2 4.43Å; L564-T572 HydrophobicContact CD1-CG2 4.19Å; L564-T572 PolarHBondContact N-O 2.8Å; L564-R574 HydrophobicContact CD1-CB 4.12Å; L564-R574 HydrophobicContact CD2-CB 4.29Å; L564-R574 HydrophobicContact CG-CB 4.14Å; L564-L580 HydrophobicContact CD1-CD2 3.74Å
565S91.6Very high85.5Confident41 Ų4149.9 Ų49.929%0.28728%0.282SS..EExtended strand (participates in β ladder)trans-162.9155.6-177.963.90000112.1V571 T572S565-V571 WeakPolarHBondContact O-CA 3.45Å; S565-T572 PolarHBondContact O-N 2.95Å
566Y94.1Very high85.9Confident5 Ų545.9 Ų45.92%0.0226%0.258CS..EExtended strand (participates in β ladder)trans-129.9101.3171.2-178.1-169.3000109.8N515 D516 I520 C522 G568 V571 V585N515-Y566 HydrophobicContact CB-CD1 3.65Å; N515-Y566 HydrophobicContact CB-CE1 3.6Å; N515-Y566 HydrophobicContact CB-CG 4.14Å; N515-Y566 VanDerWaalsContact ND2-CD2 3.32Å; N515-Y566 WeakPolarHBondContact ND2-CD2 3.45Å; N515-Y566 WeakPolarHBondContact ND2-CE2 3.41Å; N515-Y566 VanDerWaalsContact ND2-CZ 3.27Å; D516-Y566 PolarHBondContact N-O 3.41Å; I520-Y566 HydrophobicContact CB-CE1 4.13Å; I520-Y566 HydrophobicContact CG2-CE1 3.69Å; C522-Y566 HydrophobicContact CB-CD1 4.21Å; C522-Y566 HydrophobicContact CB-CE1 4.43Å; Y566-G568 WeakPolarHBondContact CE2-O 3.37Å; Y566-V571 HydrophobicContact CD1-CG2 4.22Å; Y566-V571 HydrophobicContact CD2-CG2 3.36Å; Y566-V571 HydrophobicContact CE2-CG2 3.76Å; Y566-V571 HydrophobicContact CG-CG2 3.63Å; Y566-V585 HydrophobicContact CE2-CB 4.28Å; Y566-V585 HydrophobicContact CE2-CG2 4.06Å; Y566-V585 WeakPolarHBondContact OH-CB 3.39Å; Y566-V585 WeakPolarHBondContact OH-CG1 3.5Å
567V92.2Very high86.4Confident32 Ų3245.3 Ų45.319%0.19426%0.258CS..EExtended strand (participates in β ladder)trans-121.4119.9-174.7176.40000109.3K306 D516 T569 K570K306-V567 HydrophobicContact CG-CG1 4.01Å; D516-V567 WeakPolarHBondContact OD2-CG1 3.44Å; V567-T569 PolarHBondContact O-N 2.95Å; V567-T569 VanDerWaalsContact O-N 3.17Å; V567-K570 PolarHBondContact N-O 2.86Å; V567-K570 PolarHBondContact O-N 2.86Å
568G89.3Confident86.8Confident28 Ų2844.8 Ų44.829%0.28926%0.258SS..THydrogen-bonded Turntrans58.4-116.5-175.200000111.5N515 D516 Y566N515-G568 PolarHBondContact ND2-O 3.48Å; D516-G568 PolarHBondContact OD1-N 2.79Å; Y566-G568 WeakPolarHBondContact CE2-O 3.37Å
569T91.3Very high87.6Confident56 Ų5645 Ų4534%0.34426%0.26SS..THydrogen-bonded Turntrans-98.9-3177.3550000113.6V567 S584 V585 L587V567-T569 PolarHBondContact O-N 2.95Å; V567-T569 VanDerWaalsContact O-N 3.17Å; T569-S584 CarbonylContact O-C 3.59Å; T569-S584 WeakPolarHBondContact O-CA 3.05Å; T569-V585 VanDerWaalsContact CB-O 3.31Å; T569-V585 WeakPolarHBondContact CB-O 3.41Å; T569-V585 PolarHBondContact O-N 2.95Å; T569-L587 HydrophobicContact CG2-CB 3.93Å; T569-L587 HydrophobicContact CG2-CD1 3.62Å; T569-L587 HydrophobicContact CG2-CG 4.38Å
570K92.7Very high88.4Confident84 Ų8439.4 Ų39.437%0.36524%0.236SC..EExtended strand (participates in β ladder)trans-104.4124.2-172.1-175.3-177.5173.9-171.60110.4E304 V567 Y582E304-K570 IonicContact OE2-NZ 2.66Å; V567-K570 PolarHBondContact N-O 2.86Å; V567-K570 PolarHBondContact O-N 2.86Å; K570-Y582 HydrophobicContact CD-CD1 4.24Å; K570-Y582 VanDerWaalsContact CE-CG 3.47Å; K570-Y582 HydrophobicContact CG-CD1 4.39Å
571V93.3Very high89.2Confident0 Ų037 Ų370%021%0.212CC..EExtended strand (participates in β ladder)trans-104.9126.8168.8-176.80000108.8F529 I563 S565 Y566 L573 Y582 S583 V585F529-V571 HydrophobicContact CE2-CB 4.33Å; F529-V571 HydrophobicContact CE2-CG1 3.94Å; F529-V571 HydrophobicContact CE2-CG2 4.38Å; F529-V571 HydrophobicContact CZ-CB 4.13Å; F529-V571 HydrophobicContact CZ-CG1 4.23Å; F529-V571 HydrophobicContact CZ-CG2 3.87Å; I563-V571 HydrophobicContact CG2-CG1 3.79Å; S565-V571 WeakPolarHBondContact O-CA 3.45Å; Y566-V571 HydrophobicContact CD1-CG2 4.22Å; Y566-V571 HydrophobicContact CD2-CG2 3.36Å; Y566-V571 HydrophobicContact CE2-CG2 3.76Å; Y566-V571 HydrophobicContact CG-CG2 3.63Å; V571-L573 HydrophobicContact CG1-CD2 4.08Å; V571-L573 HydrophobicContact CG1-CG 4.29Å; V571-Y582 WeakPolarHBondContact O-CA 3.47Å; V571-S583 PolarHBondContact N-O 3.27Å; V571-S583 PolarHBondContact O-N 3.43Å; V571-V585 HydrophobicContact CG2-CG2 3.96Å
572T92.2Very high89.3Confident14 Ų1441.2 Ų41.29%0.08623%0.227CC..EExtended strand (participates in β ladder)trans-99.2124.5177.8-53.30000109.3L564 S565 L580 Y582L564-T572 HydrophobicContact CB-CG2 4.43Å; L564-T572 HydrophobicContact CD1-CG2 4.19Å; L564-T572 PolarHBondContact N-O 2.8Å; S565-T572 PolarHBondContact O-N 2.95Å; T572-L580 HydrophobicContact CG2-CD2 4.13Å; T572-Y582 HydrophobicContact CG2-CD1 3.94Å; T572-Y582 HydrophobicContact CG2-CE1 3.66Å
573L91.1Very high89.4Confident0 Ų038.7 Ų38.70%022%0.216CC..EExtended strand (participates in β ladder)trans-117.9136.7-176.6-59.7166.5000109.2I524 F557 H562 I563 V571 L580 V581I524-L573 HydrophobicContact CD1-CD2 4.14Å; F557-L573 HydrophobicContact CD1-CD1 4.03Å; F557-L573 HydrophobicContact CE1-CD1 3.27Å; F557-L573 HydrophobicContact CZ-CD1 3.58Å; H562-L573 CarbonylContact O-C 3.56Å; H562-L573 WeakPolarHBondContact O-CA 3.12Å; I563-L573 HydrophobicContact CB-CD2 4.15Å; I563-L573 HydrophobicContact CG1-CD2 3.38Å; V571-L573 HydrophobicContact CG1-CD2 4.08Å; V571-L573 HydrophobicContact CG1-CG 4.29Å; L573-L580 WeakPolarHBondContact O-CA 3.32Å; L573-V581 WeakPolarHBondContact CB-O 3.35Å; L573-V581 PolarHBondContact N-O 3.05Å; L573-V581 PolarHBondContact O-N 3.27Å
574R89.7Confident89.3Confident58 Ų5842.6 Ų42.622%0.21924%0.244CC..EExtended strand (participates in β ladder)trans-101.8124.6167.3-175.472.972.1178.3-0.6108.4P561 H562 L564 G578 L580P561-R574 CarbonylContact C-O 3.57Å; P561-R574 VanDerWaalsContact CA-O 3.3Å; P561-R574 WeakPolarHBondContact CA-O 3.44Å; H562-R574 PolarHBondContact N-O 3.06Å; H562-R574 PolarHBondContact O-N 2.8Å; L564-R574 HydrophobicContact CD1-CB 4.12Å; L564-R574 HydrophobicContact CD2-CB 4.29Å; L564-R574 HydrophobicContact CG-CB 4.14Å; R574-G578 WeakPolarHBondContact CD-O 3.34Å; R574-G578 PolarHBondContact NH1-O 2.87Å; R574-L580 VanDerWaalsContact NH1-CG 3.35Å
575Q87.2Confident89.3Confident21 Ų2138.6 Ų38.610%0.09822%0.224CC..  trans-79162.4175.3-74.3-14912.300112.1E556 S558 D577 G578 S579 V581E556-Q575 PolarHBondContact O-NE2 3.21Å; E556-Q575 VanDerWaalsContact O-NE2 3.13Å; S558-Q575 VanDerWaalsContact OG-CB 3.26Å; S558-Q575 WeakPolarHBondContact OG-CB 3.44Å; S558-Q575 PolarHBondContact OG-OE1 2.83Å; Q575-D577 WeakPolarHBondContact CB-OD1 3.21Å; Q575-D577 PolarHBondContact O-N 3.01Å; Q575-G578 WeakPolarHBondContact O-CA 3.35Å; Q575-G578 PolarHBondContact O-N 2.93Å; Q575-S579 VanDerWaalsContact CB-OG 3.22Å; Q575-S579 WeakPolarHBondContact CB-OG 3.39Å; Q575-S579 WeakPolarHBondContact CG-OG 3.38Å; Q575-S579 PolarHBondContact N-O 3.21Å; Q575-S579 PolarHBondContact OE1-OG 2.93Å; Q575-V581 HydrophobicContact CG-CG2 3.99Å
576G80.5Confident89.1Confident25 Ų2539.1 Ų39.126%0.25823%0.226SC..THydrogen-bonded Turntrans-66.2-19.1179.500000114.3S558 H559 G578S558-G576 PolarHBondContact OG-N 2.8Å; H559-G576 WeakPolarHBondContact O-CA 3.19Å; G576-G578 VanDerWaalsContact C-N 3.33Å
577D80.6Confident88.8Confident98 Ų9843.4 Ų43.452%0.52425%0.249SC..THydrogen-bonded Turntrans-85.6-6171.671-13.4000113.6Q575 S579Q575-D577 WeakPolarHBondContact CB-OD1 3.21Å; Q575-D577 PolarHBondContact O-N 3.01Å; D577-S579 WeakPolarHBondContact OD1-CB 3.31Å; D577-S579 PolarHBondContact OD1-N 2.64Å; D577-S579 PolarHBondContact OD1-OG 3.18Å
578G83.7Confident88.8Confident8 Ų846.5 Ų46.58%0.08226%0.258CS..SBendtrans94.9-4.9-178.400000115.9R574 Q575 G576R574-G578 WeakPolarHBondContact CD-O 3.34Å; R574-G578 PolarHBondContact NH1-O 2.87Å; Q575-G578 WeakPolarHBondContact O-CA 3.35Å; Q575-G578 PolarHBondContact O-N 2.93Å; G576-G578 VanDerWaalsContact C-N 3.33Å
579S87.3Confident88.7Confident44 Ų4445.3 Ų45.331%0.30825%0.245SC..  trans-66.9147.1178.564.40000111.8Q575 D577Q575-S579 VanDerWaalsContact CB-OG 3.22Å; Q575-S579 WeakPolarHBondContact CB-OG 3.39Å; Q575-S579 WeakPolarHBondContact CG-OG 3.38Å; Q575-S579 PolarHBondContact N-O 3.21Å; Q575-S579 PolarHBondContact OE1-OG 2.93Å; D577-S579 WeakPolarHBondContact OD1-CB 3.31Å; D577-S579 PolarHBondContact OD1-N 2.64Å; D577-S579 PolarHBondContact OD1-OG 3.18Å
580L88.4Confident88.7Confident62 Ų6243.7 Ų43.733%0.32524%0.235SC..EExtended strand (participates in β ladder)trans-93.9127.8173.7-74172.6000109.3L564 T572 L573 R574L564-L580 HydrophobicContact CD1-CD2 3.74Å; T572-L580 HydrophobicContact CG2-CD2 4.13Å; L573-L580 WeakPolarHBondContact O-CA 3.32Å; R574-L580 VanDerWaalsContact NH1-CG 3.35Å
581V89.3Confident88.7Confident34 Ų3441.9 Ų41.921%0.20623%0.229CC..EExtended strand (participates in β ladder)trans-124.9145.2174.2174.40000109.4F557 L573 Q575F557-V581 HydrophobicContact CD1-CG1 4.42Å; F557-V581 HydrophobicContact CE1-CG1 4.08Å; L573-V581 WeakPolarHBondContact CB-O 3.35Å; L573-V581 PolarHBondContact N-O 3.05Å; L573-V581 PolarHBondContact O-N 3.27Å; Q575-V581 HydrophobicContact CG-CG2 3.99Å
582Y89.6Confident88.7Confident101 Ų10141.9 Ų41.940%0.39623%0.229SC..EExtended strand (participates in β ladder)trans-115.3129179.8-54.2-70.8000109.5E304 K570 V571 T572E304-Y582 PolarHBondContact OE1-OH 3.14Å; E304-Y582 PolarHBondContact OE2-OH 2.8Å; K570-Y582 HydrophobicContact CD-CD1 4.24Å; K570-Y582 VanDerWaalsContact CE-CG 3.47Å; K570-Y582 HydrophobicContact CG-CD1 4.39Å; V571-Y582 WeakPolarHBondContact O-CA 3.47Å; T572-Y582 HydrophobicContact CG2-CD1 3.94Å; T572-Y582 HydrophobicContact CG2-CE1 3.66Å
583S90.2Very high88.8Confident5 Ų542.4 Ų42.44%0.03523%0.23CC..EExtended strand (participates in β ladder)trans-111.7139.2172.9-171.60000109.3V571V571-S583 PolarHBondContact N-O 3.27Å; V571-S583 PolarHBondContact O-N 3.43Å
584S90.4Very high88.8Confident90 Ų9047.5 Ų47.563%0.62925%0.254SS*.EExtended strand (participates in β ladder)trans-103.6131.1178.761.10000110.9T569T569-S584 CarbonylContact O-C 3.59Å; T569-S584 WeakPolarHBondContact O-CA 3.05Å
585V90.9Very high89Confident5 Ų546.7 Ų46.73%0.0325%0.251CS..PPolyproline II helixtrans-100.3137171.5-176.10000109.2F529 V531 Y533 Y566 T569 V571 L587F529-V585 HydrophobicContact CE1-CG2 4.24Å; F529-V585 HydrophobicContact CZ-CG2 4.21Å; V531-V585 HydrophobicContact CG1-CG1 4.04Å; V531-V585 HydrophobicContact CG2-CG2 3.91Å; Y533-V585 HydrophobicContact CE1-CG1 3.77Å; Y566-V585 HydrophobicContact CE2-CB 4.28Å; Y566-V585 HydrophobicContact CE2-CG2 4.06Å; Y566-V585 WeakPolarHBondContact OH-CB 3.39Å; Y566-V585 WeakPolarHBondContact OH-CG1 3.5Å; T569-V585 VanDerWaalsContact CB-O 3.31Å; T569-V585 WeakPolarHBondContact CB-O 3.41Å; T569-V585 PolarHBondContact O-N 2.95Å; V571-V585 HydrophobicContact CG2-CG2 3.96Å; V585-L587 PolarHBondContact O-N 3.39Å
586P87.4Confident89.2Confident52 Ų5246.3 Ų46.334%0.33825%0.251SS..PPolyproline II helixtrans-54.9135.7178.3-27.535.9000113.6Y588 S589P586-Y588 VanDerWaalsContact C-N 3.27Å; P586-Y588 PolarHBondContact O-N 2.92Å; P586-S589 PolarHBondContact O-OG 2.91Å; P586-S589 VanDerWaalsContact O-OG 3.11Å
587L88.6Confident89.7Confident95 Ų9549.6 Ų49.650%0.49728%0.275SS..THydrogen-bonded Turntrans-65.7-26.2-176.4-177.565000113.9T569 V585 S589 T590 L591T569-L587 HydrophobicContact CG2-CB 3.93Å; T569-L587 HydrophobicContact CG2-CD1 3.62Å; T569-L587 HydrophobicContact CG2-CG 4.38Å; V585-L587 PolarHBondContact O-N 3.39Å; L587-S589 PolarHBondContact O-N 2.88Å; L587-T590 PolarHBondContact O-N 3.2Å; L587-T590 VanDerWaalsContact O-N 3.12Å; L587-L591 HydrophobicContact CD2-CD1 4.26Å; L587-L591 HydrophobicContact CG-CD1 4.13Å; L587-L591 HydrophobicContact CG-CG 4.27Å; L587-L591 PolarHBondContact O-N 3.04Å
588Y91.3Very high90.2Very high97 Ų9747.8 Ų47.838%0.3827%0.271SS..Hα-helixtrans-60.2-30.9-172.4-57-53.2000113.4P586 L592 L607 A611 L616P586-Y588 VanDerWaalsContact C-N 3.27Å; P586-Y588 PolarHBondContact O-N 2.92Å; Y588-L592 WeakPolarHBondContact O-CB 3.42Å; Y588-L592 PolarHBondContact O-N 2.8Å; Y588-L607 HydrophobicContact CD1-CD1 3.85Å; Y588-L607 HydrophobicContact CE1-CD1 4.38Å; Y588-A611 HydrophobicContact CD2-CB 4.35Å; Y588-L616 HydrophobicContact CD2-CD1 4.31Å; Y588-L616 HydrophobicContact CG-CD1 4.23Å
589S87.9Confident90.6Very high3 Ų350.5 Ų50.52%0.02129%0.292CS..Hα-helixtrans-64.9-45.4176.655.20000111.4I520 P586 L587 L591 L592 H593I520-S589 WeakPolarHBondContact CD1-OG 3.28Å; P586-S589 PolarHBondContact O-OG 2.91Å; P586-S589 VanDerWaalsContact O-OG 3.11Å; L587-S589 PolarHBondContact O-N 2.88Å; S589-L591 PolarHBondContact O-N 3.21Å; S589-L592 WeakPolarHBondContact O-CB 3.35Å; S589-L592 PolarHBondContact O-N 3.28Å; S589-H593 PolarHBondContact O-CD2 2.83Å; S589-H593 PolarHBondContact O-N 3.03Å; S589-H593 VanDerWaalsContact O-N 3.15Å
590T91.3Very high91Very high22 Ų2253.5 Ų53.514%0.13530%0.297CS..Hα-helixtrans-63.9-42.6179.2-53.70000111.4A518 L587 L592 H593 E594A518-T590 HydrophobicContact CB-CG2 4.23Å; L587-T590 PolarHBondContact O-N 3.2Å; L587-T590 VanDerWaalsContact O-N 3.12Å; T590-L592 VanDerWaalsContact C-N 3.29Å; T590-L592 PolarHBondContact O-N 3.26Å; T590-H593 WeakPolarHBondContact O-CB 3.32Å; T590-H593 PolarHBondContact O-N 2.81Å; T590-E594 PolarHBondContact O-N 2.86Å; T590-E594 VanDerWaalsContact O-N 3.1Å
591L92.9Very high91.3Very high45 Ų4552.3 Ų52.324%0.23629%0.288CS..Hα-helixtrans-61.9-36.8174.8-71.3172.4000112.3L587 S589 E594 Y595 L607L587-L591 HydrophobicContact CD2-CD1 4.26Å; L587-L591 HydrophobicContact CG-CD1 4.13Å; L587-L591 HydrophobicContact CG-CG 4.27Å; L587-L591 PolarHBondContact O-N 3.04Å; S589-L591 PolarHBondContact O-N 3.21Å; L591-E594 WeakPolarHBondContact O-CB 3.41Å; L591-E594 PolarHBondContact O-N 2.86Å; L591-Y595 PolarHBondContact O-N 3.21Å; L591-L607 HydrophobicContact CB-CD2 3.97Å
592L93.3Very high91.5Very high1 Ų157 Ų571%0.00531%0.308CS..Hα-helixtrans-63.2-42177-169.868.5000111.7Y588 S589 T590 Y595 S596 A604 C619 L620 M623Y588-L592 WeakPolarHBondContact O-CB 3.42Å; Y588-L592 PolarHBondContact O-N 2.8Å; S589-L592 WeakPolarHBondContact O-CB 3.35Å; S589-L592 PolarHBondContact O-N 3.28Å; T590-L592 VanDerWaalsContact C-N 3.29Å; T590-L592 PolarHBondContact O-N 3.26Å; L592-Y595 PolarHBondContact O-N 3.28Å; L592-S596 WeakPolarHBondContact O-CB 3.38Å; L592-S596 PolarHBondContact O-N 2.9Å; L592-A604 HydrophobicContact CD1-CB 3.83Å; L592-C619 HydrophobicContact CD2-CB 3.59Å; L592-L620 HydrophobicContact CD1-CB 4.33Å; L592-L620 HydrophobicContact CD1-CD1 4.13Å; L592-L620 HydrophobicContact CD2-CB 4.35Å; L592-M623 HydrophobicContact CD2-CE 4.29Å; L592-M623 HydrophobicContact CD2-SD 4.01Å; L592-M623 HydrophobicContact CG-CE 4.46Å; L592-M623 HydrophobicContact CG-SD 3.9Å
593H93.1Very high91.8Very high25 Ų2554.1 Ų54.112%0.11630%0.299CS..Hα-helixtrans-61.4-42.6173.5-80.3-89.1000111.7A518 N519 I520 Y533 Y534 S589 T590 S596 A597 M623A518-H593 HydrophobicContact CB-CB 3.88Å; N519-H593 PolarHBondContact O-CE1 2.85Å; N519-H593 PolarHBondContact O-NE2 3.41Å; I520-H593 WeakPolarHBondContact CG1-NE2 3.31Å; Y533-H593 PolarHBondContact O-NE2 2.98Å; Y534-H593 AromaticContact CD2-CE1 3.73Å; S589-H593 PolarHBondContact O-CD2 2.83Å; S589-H593 PolarHBondContact O-N 3.03Å; S589-H593 VanDerWaalsContact O-N 3.15Å; T590-H593 WeakPolarHBondContact O-CB 3.32Å; T590-H593 PolarHBondContact O-N 2.81Å; H593-S596 PolarHBondContact O-N 2.8Å; H593-A597 WeakPolarHBondContact O-CB 3.41Å; H593-A597 PolarHBondContact O-N 3.07Å; H593-M623 WeakPolarHBondContact CE1-CE 3.36Å; H593-M623 WeakPolarHBondContact NE2-CE 3.17Å
594E91.9Very high92Very high107 Ų10753.9 Ų53.950%0.530%0.297SS..Hα-helixtrans-61.3-46.2176.4-171.3-168.1151.400112T590 L591 S596 A597 S598T590-E594 PolarHBondContact O-N 2.86Å; T590-E594 VanDerWaalsContact O-N 3.1Å; L591-E594 WeakPolarHBondContact O-CB 3.41Å; L591-E594 PolarHBondContact O-N 2.86Å; E594-S596 VanDerWaalsContact C-N 3.35Å; E594-A597 PolarHBondContact O-N 3.2Å; E594-S598 WeakPolarHBondContact O-CB 3.33Å; E594-S598 PolarHBondContact O-N 2.85Å; E594-S598 PolarHBondContact O-OG 2.78Å
595Y93.8Very high92.2Very high41 Ų4150.2 Ų50.216%0.16127%0.271CS..Hα-helixtrans-65.8-37.4176.9-66-21.6000112.5L591 L592 S598 A599 R600 D603 A604 L607L591-Y595 PolarHBondContact O-N 3.21Å; L592-Y595 PolarHBondContact O-N 3.28Å; Y595-S598 WeakPolarHBondContact CA-OG 3.49Å; Y595-S598 PolarHBondContact O-N 3.11Å; Y595-S598 PolarHBondContact O-OG 3.35Å; Y595-A599 PolarHBondContact O-N 3.09Å; Y595-A599 VanDerWaalsContact O-N 3.08Å; Y595-R600 HydrophobicContact CD1-CB 4.35Å; Y595-R600 PolarHBondContact O-N 2.99Å; Y595-D603 HydrophobicContact CD2-CB 4.15Å; Y595-D603 HydrophobicContact CE2-CB 4.04Å; Y595-D603 HydrophobicContact CG-CB 4.41Å; Y595-A604 HydrophobicContact CD2-CB 4.29Å; Y595-L607 HydrophobicContact CD2-CD2 4.28Å; Y595-L607 HydrophobicContact CE2-CB 4.39Å; Y595-L607 HydrophobicContact CE2-CD2 4.06Å
596S91.8Very high92.4Very high12 Ų1256.2 Ų56.28%0.08429%0.293CS..Hα-helixtrans-65.3-45.7175.6-172.50000111.8L592 H593 E594 S598 A599 W601 N627L592-S596 WeakPolarHBondContact O-CB 3.38Å; L592-S596 PolarHBondContact O-N 2.9Å; H593-S596 PolarHBondContact O-N 2.8Å; E594-S596 VanDerWaalsContact C-N 3.35Å; S596-S598 VanDerWaalsContact C-N 3.29Å; S596-S598 PolarHBondContact O-N 3.15Å; S596-A599 PolarHBondContact O-N 3.43Å; S596-A599 VanDerWaalsContact O-N 3.15Å; S596-W601 VanDerWaalsContact OG-CH2 3.28Å; S596-W601 WeakPolarHBondContact OG-CH2 3.49Å; S596-N627 PolarHBondContact OG-ND2 2.59Å
597A89.6Confident92.7Very high94 Ų9454.7 Ų54.778%0.77728%0.282SS*.Hα-helixtrans-64.8-31.8178.600000112.9H593 E594H593-A597 WeakPolarHBondContact O-CB 3.41Å; H593-A597 PolarHBondContact O-N 3.07Å; E594-A597 PolarHBondContact O-N 3.2Å
598S91.3Very high92.9Very high60 Ų6050.2 Ų50.242%0.4226%0.258SS..THydrogen-bonded Turntrans-91.76176.4570000114.3E594 Y595 S596 R600E594-S598 WeakPolarHBondContact O-CB 3.33Å; E594-S598 PolarHBondContact O-N 2.85Å; E594-S598 PolarHBondContact O-OG 2.78Å; Y595-S598 WeakPolarHBondContact CA-OG 3.49Å; Y595-S598 PolarHBondContact O-N 3.11Å; Y595-S598 PolarHBondContact O-OG 3.35Å; S596-S598 VanDerWaalsContact C-N 3.29Å; S596-S598 PolarHBondContact O-N 3.15Å; S598-R600 PolarHBondContact O-N 3.13Å; S598-R600 WeakPolarHBondContact OG-CD 3.37Å
599A92.6Very high93.1Very high65 Ų6552.1 Ų52.154%0.53727%0.265SS..THydrogen-bonded Turntrans54.628.6-176.800000114.7Y595 S596 W601Y595-A599 PolarHBondContact O-N 3.09Å; Y595-A599 VanDerWaalsContact O-N 3.08Å; S596-A599 PolarHBondContact O-N 3.43Å; S596-A599 VanDerWaalsContact O-N 3.15Å; A599-W601 VanDerWaalsContact C-N 3.29Å; A599-W601 VanDerWaalsContact O-CD1 3.27Å; A599-W601 PolarHBondContact O-N 3.44Å; A599-W601 VanDerWaalsContact O-N 3.14Å
600R95.3Very high93.4Very high107 Ų10759.2 Ų59.240%0.40430%0.295SS..  trans-87.460.3177.9-69174.259.5-169.20111.7Y595 S598 E602 D603 A604Y595-R600 HydrophobicContact CD1-CB 4.35Å; Y595-R600 PolarHBondContact O-N 2.99Å; S598-R600 PolarHBondContact O-N 3.13Å; S598-R600 WeakPolarHBondContact OG-CD 3.37Å; R600-E602 PolarHBondContact O-N 2.92Å; R600-D603 HydrophobicContact CB-CB 4.45Å; R600-D603 IonicContact CZ-OD2 2.89Å; R600-D603 VanDerWaalsContact CZ-OD2 3.27Å; R600-D603 IonicContact NE-OD2 3.59Å; R600-D603 PolarHBondContact NE-OD2 3.48Å; R600-D603 IonicContact NH2-OD2 3.51Å; R600-D603 PolarHBondContact NH2-OD2 2.85Å; R600-D603 PolarHBondContact O-N 2.92Å; R600-A604 PolarHBondContact O-N 3.18Å; R600-A604 VanDerWaalsContact O-N 3.15Å
601W94.9Very high93.3Very high37 Ų3759.4 Ų59.414%0.1430%0.3CS..Hα-helixtrans-64.5-33.1-171.7-56.7109.9000114.6S596 A599 D603 A604 L605 L620 M623 A624 N627 D629 T632S596-W601 VanDerWaalsContact OG-CH2 3.28Å; S596-W601 WeakPolarHBondContact OG-CH2 3.49Å; A599-W601 VanDerWaalsContact C-N 3.29Å; A599-W601 VanDerWaalsContact O-CD1 3.27Å; A599-W601 PolarHBondContact O-N 3.44Å; A599-W601 VanDerWaalsContact O-N 3.14Å; W601-D603 VanDerWaalsContact C-N 3.34Å; W601-D603 PolarHBondContact O-N 2.86Å; W601-A604 WeakPolarHBondContact O-CB 3.14Å; W601-A604 PolarHBondContact O-N 2.89Å; W601-L605 WeakPolarHBondContact O-CG 3.41Å; W601-L605 PolarHBondContact O-N 3Å; W601-L620 HydrophobicContact CE3-CD1 4.07Å; W601-L620 HydrophobicContact CZ3-CD1 4.16Å; W601-M623 HydrophobicContact CZ3-CB 4.45Å; W601-A624 HydrophobicContact CZ3-CB 4.11Å; W601-N627 HydrophobicContact CH2-CB 3.72Å; W601-N627 VanDerWaalsContact CH2-ND2 3.32Å; W601-N627 WeakPolarHBondContact CH2-ND2 3.42Å; W601-N627 HydrophobicContact CZ2-CB 3.51Å; W601-N627 WeakPolarHBondContact CZ2-ND2 3.25Å; W601-D629 HydrophobicContact CD2-CB 4.48Å; W601-D629 VanDerWaalsContact CG-OD2 3.29Å; W601-D629 HydrophobicContact CZ2-CB 4.37Å; W601-T632 HydrophobicContact CB-CG2 4.41Å; W601-T632 WeakPolarHBondContact CB-OG1 3.34Å; W601-T632 HydrophobicContact CE3-CG2 4.11Å
602E94.5Very high93.2Very high134 Ų13465.8 Ų65.863%0.62633%0.325SS*.Hα-helixtrans-63.2-40.9175.6-70-169.7-174.100112.5R600 L605 R606R600-E602 PolarHBondContact O-N 2.92Å; E602-L605 PolarHBondContact O-N 2.89Å; E602-R606 VanDerWaalsContact O-CG 3.29Å; E602-R606 WeakPolarHBondContact O-CG 3.39Å; E602-R606 PolarHBondContact O-N 3.09Å; E602-R606 IonicContact OE2-NH2 4Å; E602-R606 PolarHBondContact OE2-NH2 3.19Å; E602-R606 VanDerWaalsContact OE2-NH2 3.09Å
603D94.8Very high93.1Very high39 Ų3968.6 Ų68.621%0.20934%0.34CS..Hα-helixtrans-70.3-37.1178.2-67.4-31.7000110.8Y595 R600 W601 R606 L607Y595-D603 HydrophobicContact CD2-CB 4.15Å; Y595-D603 HydrophobicContact CE2-CB 4.04Å; Y595-D603 HydrophobicContact CG-CB 4.41Å; R600-D603 HydrophobicContact CB-CB 4.45Å; R600-D603 IonicContact CZ-OD2 2.89Å; R600-D603 VanDerWaalsContact CZ-OD2 3.27Å; R600-D603 IonicContact NE-OD2 3.59Å; R600-D603 PolarHBondContact NE-OD2 3.48Å; R600-D603 IonicContact NH2-OD2 3.51Å; R600-D603 PolarHBondContact NH2-OD2 2.85Å; R600-D603 PolarHBondContact O-N 2.92Å; W601-D603 VanDerWaalsContact C-N 3.34Å; W601-D603 PolarHBondContact O-N 2.86Å; D603-R606 PolarHBondContact O-N 2.8Å; D603-R606 IonicContact OD1-CZ 3.97Å; D603-R606 IonicContact OD1-NH1 2.67Å; D603-R606 PolarHBondContact OD1-NH1 3.08Å; D603-L607 WeakPolarHBondContact O-CB 3.43Å; D603-L607 PolarHBondContact O-N 2.8Å
604A94.8Very high93Very high0 Ų073.2 Ų73.20%036%0.362CS..Hα-helixtrans-59.5-44.8170.900000112.2L592 Y595 R600 W601 L607 C608 L620L592-A604 HydrophobicContact CD1-CB 3.83Å; Y595-A604 HydrophobicContact CD2-CB 4.29Å; R600-A604 PolarHBondContact O-N 3.18Å; R600-A604 VanDerWaalsContact O-N 3.15Å; W601-A604 WeakPolarHBondContact O-CB 3.14Å; W601-A604 PolarHBondContact O-N 2.89Å; A604-L607 WeakPolarHBondContact O-CB 3.46Å; A604-L607 PolarHBondContact O-N 2.94Å; A604-C608 PolarHBondContact O-N 2.92Å; A604-C608 PolarHBondContact O-SG 2.76Å; A604-C608 VanDerWaalsContact O-SG 3.39Å; A604-L620 HydrophobicContact CB-CD1 3.85Å
605L94.3Very high93.1Very high13 Ų1369.3 Ų69.37%0.06835%0.346CS..Hα-helixtrans-63-42.3175.2-76.3167.5000112.2W601 E602 L607 C608 R609 W617 L620 T632 M635W601-L605 WeakPolarHBondContact O-CG 3.41Å; W601-L605 PolarHBondContact O-N 3Å; E602-L605 PolarHBondContact O-N 2.89Å; L605-L607 VanDerWaalsContact C-N 3.32Å; L605-C608 PolarHBondContact O-N 2.82Å; L605-R609 WeakPolarHBondContact O-CB 3.33Å; L605-R609 VanDerWaalsContact O-CG 3.22Å; L605-R609 WeakPolarHBondContact O-CG 3.35Å; L605-R609 PolarHBondContact O-N 3.17Å; L605-W617 HydrophobicContact CD2-CH2 3.9Å; L605-W617 HydrophobicContact CD2-CZ3 3.6Å; L605-L620 HydrophobicContact CD2-CD2 3.77Å; L605-L620 HydrophobicContact CG-CD2 4.21Å; L605-T632 HydrophobicContact CD1-CG2 4.24Å; L605-T632 HydrophobicContact CD2-CG2 4.07Å; L605-T632 HydrophobicContact CG-CG2 4Å; L605-M635 HydrophobicContact CD1-CE 3.9Å; L605-M635 HydrophobicContact CD1-SD 3.89Å; L605-M635 HydrophobicContact CD2-CB 4.18Å; L605-M635 HydrophobicContact CD2-CE 4.09Å; L605-M635 HydrophobicContact CD2-SD 4.46Å
606R94.9Very high93.1Very high131 Ų13167.5 Ų67.549%0.49434%0.34SS..Hα-helixtrans-61.7-42174.9-70.8170.1-165160.12.9111E602 D603 R609 F610E602-R606 VanDerWaalsContact O-CG 3.29Å; E602-R606 WeakPolarHBondContact O-CG 3.39Å; E602-R606 PolarHBondContact O-N 3.09Å; E602-R606 IonicContact OE2-NH2 4Å; E602-R606 PolarHBondContact OE2-NH2 3.19Å; E602-R606 VanDerWaalsContact OE2-NH2 3.09Å; D603-R606 PolarHBondContact O-N 2.8Å; D603-R606 IonicContact OD1-CZ 3.97Å; D603-R606 IonicContact OD1-NH1 2.67Å; D603-R606 PolarHBondContact OD1-NH1 3.08Å; R606-R609 PolarHBondContact O-N 3.07Å; R606-F610 WeakPolarHBondContact O-CB 3.4Å; R606-F610 PolarHBondContact O-N 3.31Å
607L93.8Very high93.3Very high21 Ų2168.3 Ų68.311%0.1134%0.341CS..Hα-helixtrans-61.4-49.3177.2-175.465.9000111.5Y588 L591 Y595 D603 A604 L605 R609 F610 A611Y588-L607 HydrophobicContact CD1-CD1 3.85Å; Y588-L607 HydrophobicContact CE1-CD1 4.38Å; L591-L607 HydrophobicContact CB-CD2 3.97Å; Y595-L607 HydrophobicContact CD2-CD2 4.28Å; Y595-L607 HydrophobicContact CE2-CB 4.39Å; Y595-L607 HydrophobicContact CE2-CD2 4.06Å; D603-L607 WeakPolarHBondContact O-CB 3.43Å; D603-L607 PolarHBondContact O-N 2.8Å; A604-L607 WeakPolarHBondContact O-CB 3.46Å; A604-L607 PolarHBondContact O-N 2.94Å; L605-L607 VanDerWaalsContact C-N 3.32Å; L607-R609 PolarHBondContact O-N 3.49Å; L607-F610 PolarHBondContact O-N 3.42Å; L607-A611 WeakPolarHBondContact O-CB 3.4Å; L607-A611 PolarHBondContact O-N 2.91Å
608C93.8Very high93.5Very high0 Ų063.9 Ų63.90%030%0.304CS..Hα-helixtrans-64.2-38.1178.5-66.40000112.5A604 L605 F610 K612 W617 L620A604-C608 PolarHBondContact O-N 2.92Å; A604-C608 PolarHBondContact O-SG 2.76Å; A604-C608 VanDerWaalsContact O-SG 3.39Å; L605-C608 PolarHBondContact O-N 2.82Å; C608-F610 VanDerWaalsContact C-N 3.34Å; C608-K612 PolarHBondContact O-N 2.94Å; C608-W617 HydrophobicContact CB-CD2 3.63Å; C608-W617 VanDerWaalsContact CB-CE2 3.46Å; C608-W617 HydrophobicContact CB-CE3 3.96Å; C608-W617 HydrophobicContact CB-CG 4.17Å; C608-W617 HydrophobicContact CB-CH2 4.05Å; C608-W617 HydrophobicContact CB-CZ2 3.69Å; C608-W617 HydrophobicContact CB-CZ3 4.18Å; C608-W617 PolarHBondContact O-NE1 2.84Å; C608-L620 HydrophobicContact CB-CD2 4.37Å
609R94Very high93.7Very high137 Ų13761.1 Ų61.152%0.51729%0.285SS..Hα-helixtrans-63.8-38.1173.2-73.8170.7179.7164.6-3112.5L605 R606 L607 K612 W617L605-R609 WeakPolarHBondContact O-CB 3.33Å; L605-R609 VanDerWaalsContact O-CG 3.22Å; L605-R609 WeakPolarHBondContact O-CG 3.35Å; L605-R609 PolarHBondContact O-N 3.17Å; R606-R609 PolarHBondContact O-N 3.07Å; L607-R609 PolarHBondContact O-N 3.49Å; R609-K612 VanDerWaalsContact O-CG 3.28Å; R609-K612 WeakPolarHBondContact O-CG 3.46Å; R609-W617 HydrophobicContact CB-CZ2 4.44Å; R609-W617 HydrophobicContact CG-CH2 3.97Å; R609-W617 HydrophobicContact CG-CZ2 3.67Å
610F94.1Very high93.8Very high152 Ų15258 Ų5867%0.66726%0.259SS*.Hα-helixtrans-71.7-48.2178.8178-97.6000111.8R606 L607 C608 K612R606-F610 WeakPolarHBondContact O-CB 3.4Å; R606-F610 PolarHBondContact O-N 3.31Å; L607-F610 PolarHBondContact O-N 3.42Å; C608-F610 VanDerWaalsContact C-N 3.34Å; F610-K612 VanDerWaalsContact C-N 3.3Å; F610-K612 PolarHBondContact O-N 3.25Å
611A91Very high93.8Very high27 Ų2752.9 Ų52.922%0.22324%0.24CC..Hα-helixtrans-67.9-28.6-178.500000113Y588 L607 D613 L616Y588-A611 HydrophobicContact CD2-CB 4.35Å; L607-A611 WeakPolarHBondContact O-CB 3.4Å; L607-A611 PolarHBondContact O-N 2.91Å; A611-D613 PolarHBondContact O-N 3.46Å; A611-D613 VanDerWaalsContact O-N 3.14Å; A611-L616 HydrophobicContact CB-CD1 3.58Å
612K89.6Confident93.6Very high178 Ų17851.1 Ų51.177%0.77423%0.233SC*.  trans53.729.4-178.9-60.3-179.3179.51780113.7C608 R609 F610C608-K612 PolarHBondContact O-N 2.94Å; R609-K612 VanDerWaalsContact O-CG 3.28Å; R609-K612 WeakPolarHBondContact O-CG 3.46Å; F610-K612 VanDerWaalsContact C-N 3.3Å; F610-K612 PolarHBondContact O-N 3.25Å
613D90.8Very high93.6Very high60 Ų6044.9 Ų44.932%0.32120%0.204SC..  trans-101.7124.6179.4-179.65.4000110.5A611 S615 L616 W617A611-D613 PolarHBondContact O-N 3.46Å; A611-D613 VanDerWaalsContact O-N 3.14Å; D613-S615 VanDerWaalsContact C-N 3.28Å; D613-S615 PolarHBondContact O-N 2.94Å; D613-S615 PolarHBondContact OD1-N 2.81Å; D613-L616 HydrophobicContact CB-CB 4.39Å; D613-L616 HydrophobicContact CB-CD1 4Å; D613-L616 HydrophobicContact CB-CG 4.1Å; D613-L616 PolarHBondContact O-N 2.99Å; D613-W617 PolarHBondContact O-N 3.11Å
614Q92.6Very high93.5Very high123 Ų12343 Ų4358%0.57519%0.194SC*.Hα-helixtrans-64.2-32178.9-67.8-169.2-13.500112.5W617 A618Q614-W617 PolarHBondContact O-N 2.93Å; Q614-A618 PolarHBondContact O-N 2.87Å
615S93.3Very high93.4Very high24 Ų2443.8 Ų43.817%0.16820%0.198CC..Hα-helixtrans-67.9-36.9179.7-67.20000112R547 D613 A618 C619R547-S615 VanDerWaalsContact O-CA 3.28Å; R547-S615 WeakPolarHBondContact O-CA 3.46Å; R547-S615 WeakPolarHBondContact O-CB 3.42Å; R547-S615 PolarHBondContact O-OG 3.13Å; D613-S615 VanDerWaalsContact C-N 3.28Å; D613-S615 PolarHBondContact O-N 2.94Å; D613-S615 PolarHBondContact OD1-N 2.81Å; S615-A618 PolarHBondContact O-N 3.23Å; S615-C619 PolarHBondContact O-N 2.91Å; S615-C619 PolarHBondContact O-SG 3.22Å
616L93.9Very high93.1Very high4 Ų445 Ų452%0.02121%0.21CC..Hα-helixtrans-68-39.6173.8-65.3176.2000111.8Y588 A611 D613 A618 C619 L620Y588-L616 HydrophobicContact CD2-CD1 4.31Å; Y588-L616 HydrophobicContact CG-CD1 4.23Å; A611-L616 HydrophobicContact CB-CD1 3.58Å; D613-L616 HydrophobicContact CB-CB 4.39Å; D613-L616 HydrophobicContact CB-CD1 4Å; D613-L616 HydrophobicContact CB-CG 4.1Å; D613-L616 PolarHBondContact O-N 2.99Å; L616-A618 VanDerWaalsContact C-N 3.32Å; L616-A618 PolarHBondContact O-N 2.85Å; L616-C619 PolarHBondContact O-N 3.4Å; L616-L620 WeakPolarHBondContact O-CB 3.35Å; L616-L620 PolarHBondContact O-N 3.01Å
617W95.3Very high92.8Very high29 Ų2942.2 Ų42.211%0.1121%0.205CC..Hα-helixtrans-60.6-42.3172.6-78.8108000111.7L605 C608 R609 D613 Q614 L620 A621 A636 A639 I640L605-W617 HydrophobicContact CD2-CH2 3.9Å; L605-W617 HydrophobicContact CD2-CZ3 3.6Å; C608-W617 HydrophobicContact CB-CD2 3.63Å; C608-W617 VanDerWaalsContact CB-CE2 3.46Å; C608-W617 HydrophobicContact CB-CE3 3.96Å; C608-W617 HydrophobicContact CB-CG 4.17Å; C608-W617 HydrophobicContact CB-CH2 4.05Å; C608-W617 HydrophobicContact CB-CZ2 3.69Å; C608-W617 HydrophobicContact CB-CZ3 4.18Å; C608-W617 PolarHBondContact O-NE1 2.84Å; R609-W617 HydrophobicContact CB-CZ2 4.44Å; R609-W617 HydrophobicContact CG-CH2 3.97Å; R609-W617 HydrophobicContact CG-CZ2 3.67Å; D613-W617 PolarHBondContact O-N 3.11Å; Q614-W617 PolarHBondContact O-N 2.93Å; W617-L620 HydrophobicContact CE3-CD2 4.19Å; W617-L620 HydrophobicContact CZ3-CD2 4.13Å; W617-L620 PolarHBondContact O-N 3.13Å; W617-A621 WeakPolarHBondContact O-CB 3.26Å; W617-A621 PolarHBondContact O-N 2.72Å; W617-A636 HydrophobicContact CE3-CB 3.84Å; W617-A636 HydrophobicContact CZ3-CB 4.23Å; W617-A639 HydrophobicContact CD2-CB 3.59Å; W617-A639 HydrophobicContact CE3-CB 3.71Å; W617-A639 HydrophobicContact CG-CB 4Å; W617-A639 HydrophobicContact CH2-CB 4.36Å; W617-A639 HydrophobicContact CZ2-CB 4.29Å; W617-A639 HydrophobicContact CZ3-CB 4.08Å; W617-I640 HydrophobicContact CB-CD1 4.32Å; W617-I640 HydrophobicContact CB-CG1 3.79Å
618A94.7Very high92.7Very high0 Ų048.9 Ų48.90%023%0.228CC..Hα-helixtrans-61-42.7174.500000112.5L544 R547 T548 Q614 S615 L616 A621 G622 I640L544-A618 HydrophobicContact CD1-CB 3.81Å; L544-A618 VanDerWaalsContact CD2-O 3.3Å; L544-A618 WeakPolarHBondContact CD2-O 3.44Å; L544-A618 HydrophobicContact CG-CB 4.14Å; R547-A618 HydrophobicContact CB-CB 3.84Å; T548-A618 HydrophobicContact CG2-CB 3.85Å; Q614-A618 PolarHBondContact O-N 2.87Å; S615-A618 PolarHBondContact O-N 3.23Å; L616-A618 VanDerWaalsContact C-N 3.32Å; L616-A618 PolarHBondContact O-N 2.85Å; A618-A621 PolarHBondContact O-N 2.98Å; A618-G622 PolarHBondContact O-N 2.92Å; A618-G622 VanDerWaalsContact O-N 3.09Å; A618-I640 HydrophobicContact CB-CD1 4.01Å
619C94.4Very high92.6Very high2 Ų250.5 Ų50.51%0.01424%0.237CC..Hα-helixtrans-61.9-45.9174.4-64.60000111.5Y533 L592 S615 L616 A621 G622 M623Y533-C619 WeakPolarHBondContact CB-SG 3.37Å; L592-C619 HydrophobicContact CD2-CB 3.59Å; S615-C619 PolarHBondContact O-N 2.91Å; S615-C619 PolarHBondContact O-SG 3.22Å; L616-C619 PolarHBondContact O-N 3.4Å; C619-A621 VanDerWaalsContact C-N 3.34Å; C619-A621 PolarHBondContact O-N 2.81Å; C619-G622 PolarHBondContact O-N 3.05Å; C619-M623 HydrophobicContact CB-CE 4.29Å; C619-M623 WeakPolarHBondContact O-CB 3.35Å; C619-M623 VanDerWaalsContact O-CG 3.23Å; C619-M623 WeakPolarHBondContact O-CG 3.35Å; C619-M623 PolarHBondContact O-N 3.19Å
620L95.4Very high92.5Very high0 Ų045 Ų450%022%0.218CC..Hα-helixtrans-61.3-42.4178.7-179.358.4000111.8L592 W601 A604 L605 C608 L616 W617 G622 M623 A624 T632 A636L592-L620 HydrophobicContact CD1-CB 4.33Å; L592-L620 HydrophobicContact CD1-CD1 4.13Å; L592-L620 HydrophobicContact CD2-CB 4.35Å; W601-L620 HydrophobicContact CE3-CD1 4.07Å; W601-L620 HydrophobicContact CZ3-CD1 4.16Å; A604-L620 HydrophobicContact CB-CD1 3.85Å; L605-L620 HydrophobicContact CD2-CD2 3.77Å; L605-L620 HydrophobicContact CG-CD2 4.21Å; C608-L620 HydrophobicContact CB-CD2 4.37Å; L616-L620 WeakPolarHBondContact O-CB 3.35Å; L616-L620 PolarHBondContact O-N 3.01Å; W617-L620 HydrophobicContact CE3-CD2 4.19Å; W617-L620 HydrophobicContact CZ3-CD2 4.13Å; W617-L620 PolarHBondContact O-N 3.13Å; L620-G622 PolarHBondContact O-N 3.02Å; L620-M623 PolarHBondContact O-N 3.25Å; L620-A624 WeakPolarHBondContact O-CB 3.43Å; L620-A624 PolarHBondContact O-N 3.36Å; L620-T632 HydrophobicContact CD1-CG2 3.73Å; L620-T632 HydrophobicContact CD2-CG2 3.98Å; L620-T632 HydrophobicContact CG-CG2 3.87Å; L620-A636 HydrophobicContact CB-CB 4.4Å; L620-A636 HydrophobicContact CD2-CB 4.4Å; L620-A636 HydrophobicContact CG-CB 4.22Å
621A94.2Very high92.5Very high0 Ų042.6 Ų42.60%021%0.212CC..Hα-helixtrans-59.8-45.9176.400000111.7L544 W617 A618 C619 M625 A636 Y637 I640L544-A621 HydrophobicContact CD2-CB 4.13Å; W617-A621 WeakPolarHBondContact O-CB 3.26Å; W617-A621 PolarHBondContact O-N 2.72Å; A618-A621 PolarHBondContact O-N 2.98Å; C619-A621 VanDerWaalsContact C-N 3.34Å; C619-A621 PolarHBondContact O-N 2.81Å; A621-M625 WeakPolarHBondContact O-CG 3.12Å; A621-M625 PolarHBondContact O-N 2.9Å; A621-M625 VanDerWaalsContact O-N 3.13Å; A621-A636 HydrophobicContact CB-CB 3.66Å; A621-Y637 HydrophobicContact CB-CD1 4.17Å; A621-Y637 HydrophobicContact CB-CD2 3.96Å; A621-Y637 HydrophobicContact CB-CE1 4.05Å; A621-Y637 HydrophobicContact CB-CE2 3.81Å; A621-Y637 HydrophobicContact CB-CG 4.12Å; A621-I640 HydrophobicContact CB-CD1 3.86Å
622G92.5Very high92.6Very high0 Ų041.7 Ų41.70%020%0.203CC..Hα-helixtrans-63.7-46.1176.500000113.2A618 C619 L620 M625 A626A618-G622 PolarHBondContact O-N 2.92Å; A618-G622 VanDerWaalsContact O-N 3.09Å; C619-G622 PolarHBondContact O-N 3.05Å; L620-G622 PolarHBondContact O-N 3.02Å; G622-M625 PolarHBondContact O-N 2.92Å; G622-A626 WeakPolarHBondContact O-CB 3.44Å; G622-A626 PolarHBondContact O-N 3.17Å
623M93.3Very high92.8Very high3 Ų333.2 Ų33.22%0.01517%0.167CC..Hα-helixtrans-65.6-43.3179.5-71.1172.8-176.200112.3Y534 L592 H593 W601 C619 L620 M625 A626 N627Y534-M623 HydrophobicContact CD1-CG 4.05Å; Y534-M623 HydrophobicContact CD2-CE 3.7Å; Y534-M623 HydrophobicContact CD2-CG 4.07Å; Y534-M623 HydrophobicContact CE1-CG 3.93Å; Y534-M623 HydrophobicContact CE2-CE 4.28Å; Y534-M623 HydrophobicContact CE2-CG 3.9Å; Y534-M623 HydrophobicContact CG-CE 3.91Å; Y534-M623 HydrophobicContact CG-CG 4.15Å; L592-M623 HydrophobicContact CD2-CE 4.29Å; L592-M623 HydrophobicContact CD2-SD 4.01Å; L592-M623 HydrophobicContact CG-CE 4.46Å; L592-M623 HydrophobicContact CG-SD 3.9Å; H593-M623 WeakPolarHBondContact CE1-CE 3.36Å; H593-M623 WeakPolarHBondContact NE2-CE 3.17Å; W601-M623 HydrophobicContact CZ3-CB 4.45Å; C619-M623 HydrophobicContact CB-CE 4.29Å; C619-M623 WeakPolarHBondContact O-CB 3.35Å; C619-M623 VanDerWaalsContact O-CG 3.23Å; C619-M623 WeakPolarHBondContact O-CG 3.35Å; C619-M623 PolarHBondContact O-N 3.19Å; L620-M623 PolarHBondContact O-N 3.25Å; M623-M625 VanDerWaalsContact C-N 3.35Å; M623-M625 PolarHBondContact O-N 3.06Å; M623-A626 PolarHBondContact O-N 3.17Å; M623-N627 PolarHBondContact O-N 2.69Å
624A93.9Very high93Very high0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-63.3-4217800000111.2W601 L620 N627 R628 D629 T632 A633W601-A624 HydrophobicContact CZ3-CB 4.11Å; L620-A624 WeakPolarHBondContact O-CB 3.43Å; L620-A624 PolarHBondContact O-N 3.36Å; A624-N627 CarbonylContact O-C 3.49Å; A624-N627 PolarHBondContact O-N 3.34Å; A624-R628 PolarHBondContact O-N 2.9Å; A624-D629 PolarHBondContact O-N 2.81Å; A624-T632 HydrophobicContact CB-CG2 4.01Å; A624-A633 HydrophobicContact CB-CB 3.92Å
625M91.4Very high93.1Very high16 Ų1630.7 Ų30.78%0.07915%0.154CC..Hα-helixtrans-65.1-40.4174.3-73.4-56.5-65.700112.8A621 G622 M623 N627 R628 L630 A633 Y637 I649 F668A621-M625 WeakPolarHBondContact O-CG 3.12Å; A621-M625 PolarHBondContact O-N 2.9Å; A621-M625 VanDerWaalsContact O-N 3.13Å; G622-M625 PolarHBondContact O-N 2.92Å; M623-M625 VanDerWaalsContact C-N 3.35Å; M623-M625 PolarHBondContact O-N 3.06Å; M625-N627 VanDerWaalsContact C-N 3.31Å; M625-N627 PolarHBondContact O-N 3.1Å; M625-R628 PolarHBondContact O-N 3.17Å; M625-L630 HydrophobicContact CE-CD2 4.24Å; M625-L630 HydrophobicContact SD-CD2 4.03Å; M625-A633 HydrophobicContact CG-CB 3.78Å; M625-A633 HydrophobicContact SD-CB 3.43Å; M625-A633 WeakPolarHBondContact SD-CB 3.49Å; M625-Y637 HydrophobicContact CG-CE2 3.63Å; M625-Y637 HydrophobicContact SD-CE2 4.41Å; M625-I649 HydrophobicContact SD-CD1 3.96Å; M625-I649 HydrophobicContact SD-CG1 4.17Å; M625-F668 HydrophobicContact CE-CB 4.43Å; M625-F668 HydrophobicContact CE-CD1 3.6Å; M625-F668 HydrophobicContact CE-CD2 4.29Å; M625-F668 HydrophobicContact CE-CE1 3.83Å; M625-F668 HydrophobicContact CE-CE2 4.44Å; M625-F668 HydrophobicContact CE-CG 3.85Å; M625-F668 HydrophobicContact CE-CZ 4.23Å; M625-F668 HydrophobicContact CG-CE1 4.14Å
626A88.7Confident93.2Very high39 Ų3929.5 Ų29.532%0.32215%0.146SC..Hα-helixtrans-60.2-42.7176.200000111.7T540 G622 M623 R628T540-A626 HydrophobicContact CG2-CB 3.99Å; G622-A626 WeakPolarHBondContact O-CB 3.44Å; G622-A626 PolarHBondContact O-N 3.17Å; M623-A626 PolarHBondContact O-N 3.17Å; A626-R628 VanDerWaalsContact C-N 3.28Å; A626-R628 PolarHBondContact O-N 2.91Å
627N89.3Confident93.2Very high72 Ų7229.3 Ų29.339%0.38515%0.145SC..THydrogen-bonded Turntrans-86.37179.3-69.5-10.7000114S596 W601 M623 A624 M625 D629S596-N627 PolarHBondContact OG-ND2 2.59Å; W601-N627 HydrophobicContact CH2-CB 3.72Å; W601-N627 VanDerWaalsContact CH2-ND2 3.32Å; W601-N627 WeakPolarHBondContact CH2-ND2 3.42Å; W601-N627 HydrophobicContact CZ2-CB 3.51Å; W601-N627 WeakPolarHBondContact CZ2-ND2 3.25Å; M623-N627 PolarHBondContact O-N 2.69Å; A624-N627 CarbonylContact O-C 3.49Å; A624-N627 PolarHBondContact O-N 3.34Å; M625-N627 VanDerWaalsContact C-N 3.31Å; M625-N627 PolarHBondContact O-N 3.1Å; N627-D629 VanDerWaalsContact C-N 3.27Å; N627-D629 PolarHBondContact O-N 2.9Å
628R90Very high93.1Very high160 Ų16030.5 Ų30.560%0.60416%0.161SC*.THydrogen-bonded Turntrans6325177.7-47.7175.9-176.5-178.5-0.8114.7A624 M625 A626 L630 M665A624-R628 PolarHBondContact O-N 2.9Å; M625-R628 PolarHBondContact O-N 3.17Å; A626-R628 VanDerWaalsContact C-N 3.28Å; A626-R628 PolarHBondContact O-N 2.91Å; R628-L630 PolarHBondContact O-N 2.86Å; R628-M665 HydrophobicContact CB-CE 4.49Å; R628-M665 HydrophobicContact CB-SD 4.11Å; R628-M665 HydrophobicContact CG-CE 4.48Å; R628-M665 HydrophobicContact CG-SD 4.29Å
629D92.4Very high93Very high34 Ų3432.8 Ų32.818%0.18218%0.179CC..  trans-90.491.6172.3-176.917.1000111.2W601 A624 N627 N631 T632 A633W601-D629 HydrophobicContact CD2-CB 4.48Å; W601-D629 VanDerWaalsContact CG-OD2 3.29Å; W601-D629 HydrophobicContact CZ2-CB 4.37Å; A624-D629 PolarHBondContact O-N 2.81Å; N627-D629 VanDerWaalsContact C-N 3.27Å; N627-D629 PolarHBondContact O-N 2.9Å; D629-N631 VanDerWaalsContact C-N 3.31Å; D629-N631 PolarHBondContact O-N 3.05Å; D629-N631 PolarHBondContact OD1-N 3.4Å; D629-T632 WeakPolarHBondContact OD2-CB 3.38Å; D629-T632 PolarHBondContact OD2-OG1 3.44Å; D629-A633 WeakPolarHBondContact O-CB 3.32Å; D629-A633 PolarHBondContact O-N 3.06Å; D629-A633 VanDerWaalsContact O-N 3.14Å
630L91.8Very high92.9Very high23 Ų2333.2 Ų33.212%0.1218%0.181CC..Hα-helixtrans-69.8-25-175.5-60177.3000113.5M625 R628 E634 I649 I652 K653 M665M625-L630 HydrophobicContact CE-CD2 4.24Å; M625-L630 HydrophobicContact SD-CD2 4.03Å; R628-L630 PolarHBondContact O-N 2.86Å; L630-E634 WeakPolarHBondContact O-CB 3.45Å; L630-E634 PolarHBondContact O-N 2.86Å; L630-I649 HydrophobicContact CB-CG2 4.2Å; L630-I649 HydrophobicContact CD2-CG2 4.4Å; L630-I652 HydrophobicContact CD1-CB 4.45Å; L630-I652 HydrophobicContact CD1-CG2 3.63Å; L630-I652 HydrophobicContact CD2-CG2 4.34Å; L630-K653 HydrophobicContact CB-CD 4.45Å; L630-K653 HydrophobicContact CB-CG 4.13Å; L630-K653 HydrophobicContact CD1-CG 3.88Å; L630-K653 WeakPolarHBondContact O-CE 3.39Å; L630-M665 HydrophobicContact CD2-CG 4.3Å; L630-M665 HydrophobicContact CD2-SD 3.96Å; L630-M665 HydrophobicContact CG-SD 4.43Å
631N93.8Very high92.7Very high101 Ų10135.5 Ų35.554%0.5421%0.205SC..Hα-helixtrans-72.2-49.5-178.5-69.5-28.4000111D629 A633 E634 M635 K653D629-N631 VanDerWaalsContact C-N 3.31Å; D629-N631 PolarHBondContact O-N 3.05Å; D629-N631 PolarHBondContact OD1-N 3.4Å; N631-A633 VanDerWaalsContact C-N 3.32Å; N631-E634 PolarHBondContact O-N 3.46Å; N631-M635 WeakPolarHBondContact O-CG 3.46Å; N631-M635 PolarHBondContact O-N 2.73Å; N631-K653 WeakPolarHBondContact OD1-CE 3.4Å; N631-K653 PolarHBondContact OD1-NZ 2.83Å
632T94.5Very high92.6Very high7 Ų737.9 Ų37.94%0.04322%0.216CC..Hα-helixtrans-65.9-38.8176.2-57.90000111.1W601 L605 L620 A624 D629 M635 A636W601-T632 HydrophobicContact CB-CG2 4.41Å; W601-T632 WeakPolarHBondContact CB-OG1 3.34Å; W601-T632 HydrophobicContact CE3-CG2 4.11Å; L605-T632 HydrophobicContact CD1-CG2 4.24Å; L605-T632 HydrophobicContact CD2-CG2 4.07Å; L605-T632 HydrophobicContact CG-CG2 4Å; L620-T632 HydrophobicContact CD1-CG2 3.73Å; L620-T632 HydrophobicContact CD2-CG2 3.98Å; L620-T632 HydrophobicContact CG-CG2 3.87Å; A624-T632 HydrophobicContact CB-CG2 4.01Å; D629-T632 WeakPolarHBondContact OD2-CB 3.38Å; D629-T632 PolarHBondContact OD2-OG1 3.44Å; T632-M635 PolarHBondContact O-N 3.46Å; T632-A636 VanDerWaalsContact O-CB 3.32Å; T632-A636 WeakPolarHBondContact O-CB 3.49Å; T632-A636 PolarHBondContact O-N 2.8Å
633A93.8Very high92.5Very high0 Ų043.5 Ų43.50%025%0.246CC..Hα-helixtrans-60.7-47.5175.600000112.3A624 M625 D629 N631 M635 A636 Y637 I649A624-A633 HydrophobicContact CB-CB 3.92Å; M625-A633 HydrophobicContact CG-CB 3.78Å; M625-A633 HydrophobicContact SD-CB 3.43Å; M625-A633 WeakPolarHBondContact SD-CB 3.49Å; D629-A633 WeakPolarHBondContact O-CB 3.32Å; D629-A633 PolarHBondContact O-N 3.06Å; D629-A633 VanDerWaalsContact O-N 3.14Å; N631-A633 VanDerWaalsContact C-N 3.32Å; A633-M635 VanDerWaalsContact C-N 3.33Å; A633-M635 PolarHBondContact O-N 3.07Å; A633-A636 PolarHBondContact O-N 2.9Å; A633-Y637 HydrophobicContact CB-CD2 4.39Å; A633-Y637 HydrophobicContact CB-CE2 4.41Å; A633-Y637 WeakPolarHBondContact O-CD2 3.32Å; A633-Y637 PolarHBondContact O-N 2.71Å; A633-I649 HydrophobicContact CB-CD1 4.13Å
634E94.3Very high92.3Very high57 Ų5747.5 Ų47.527%0.26627%0.272SS..Hα-helixtrans-54.6-50177.1-172-166.1166.700111.2L630 N631 A636 A638 V646 I649 N650 K653L630-E634 WeakPolarHBondContact O-CB 3.45Å; L630-E634 PolarHBondContact O-N 2.86Å; N631-E634 PolarHBondContact O-N 3.46Å; E634-A636 VanDerWaalsContact C-N 3.32Å; E634-A636 PolarHBondContact O-N 2.82Å; E634-A638 VanDerWaalsContact O-CB 3.24Å; E634-A638 WeakPolarHBondContact O-CB 3.43Å; E634-A638 PolarHBondContact O-N 3.4Å; E634-V646 HydrophobicContact CG-CG1 3.91Å; E634-I649 HydrophobicContact CB-CG2 4.09Å; E634-N650 VanDerWaalsContact CD-OD1 3.24Å; E634-N650 PolarHBondContact OE1-ND2 3.17Å; E634-N650 PolarHBondContact OE1-OD1 2.86Å; E634-N650 PolarHBondContact OE2-OD1 3.24Å; E634-K653 IonicContact OE2-NZ 3.3Å; E634-K653 PolarHBondContact OE2-NZ 3.14Å
635M94.5Very high92.1Very high73 Ų7349.6 Ų49.636%0.3628%0.28SS..Hα-helixtrans-62.6-39.5179.6-66.5174.366.700112.1L605 N631 T632 A633 A639L605-M635 HydrophobicContact CD1-CE 3.9Å; L605-M635 HydrophobicContact CD1-SD 3.89Å; L605-M635 HydrophobicContact CD2-CB 4.18Å; L605-M635 HydrophobicContact CD2-CE 4.09Å; L605-M635 HydrophobicContact CD2-SD 4.46Å; N631-M635 WeakPolarHBondContact O-CG 3.46Å; N631-M635 PolarHBondContact O-N 2.73Å; T632-M635 PolarHBondContact O-N 3.46Å; A633-M635 VanDerWaalsContact C-N 3.33Å; A633-M635 PolarHBondContact O-N 3.07Å; M635-A639 WeakPolarHBondContact O-CB 3.45Å; M635-A639 PolarHBondContact O-N 3.18Å
636A94.4Very high92.2Very high0 Ų049.6 Ų49.60%028%0.281CS..Hα-helixtrans-72.3-44.7-179.100000112.6W617 L620 A621 T632 A633 E634 A638 A639 I640W617-A636 HydrophobicContact CE3-CB 3.84Å; W617-A636 HydrophobicContact CZ3-CB 4.23Å; L620-A636 HydrophobicContact CB-CB 4.4Å; L620-A636 HydrophobicContact CD2-CB 4.4Å; L620-A636 HydrophobicContact CG-CB 4.22Å; A621-A636 HydrophobicContact CB-CB 3.66Å; T632-A636 VanDerWaalsContact O-CB 3.32Å; T632-A636 WeakPolarHBondContact O-CB 3.49Å; T632-A636 PolarHBondContact O-N 2.8Å; A633-A636 PolarHBondContact O-N 2.9Å; E634-A636 VanDerWaalsContact C-N 3.32Å; E634-A636 PolarHBondContact O-N 2.82Å; A636-A638 VanDerWaalsContact C-N 3.31Å; A636-A638 PolarHBondContact O-N 2.92Å; A636-A639 WeakPolarHBondContact O-CB 3.28Å; A636-A639 PolarHBondContact O-N 3Å; A636-I640 VanDerWaalsContact O-CD1 3.3Å; A636-I640 WeakPolarHBondContact O-CD1 3.45Å; A636-I640 VanDerWaalsContact O-CG1 3.25Å; A636-I640 WeakPolarHBondContact O-CG1 3.45Å; A636-I640 PolarHBondContact O-N 3.25Å; A636-I640 VanDerWaalsContact O-N 3.14Å
637Y94.4Very high92.3Very high0 Ų054.5 Ų54.50%030%0.297CS..Hα-helixtrans-63.6-37.3173.8-78.6-70.8000112.2L544 A621 M625 A633 A639 I640 G641 E642 R645 I649 F668L544-Y637 HydrophobicContact CD2-CE1 3.95Å; A621-Y637 HydrophobicContact CB-CD1 4.17Å; A621-Y637 HydrophobicContact CB-CD2 3.96Å; A621-Y637 HydrophobicContact CB-CE1 4.05Å; A621-Y637 HydrophobicContact CB-CE2 3.81Å; A621-Y637 HydrophobicContact CB-CG 4.12Å; M625-Y637 HydrophobicContact CG-CE2 3.63Å; M625-Y637 HydrophobicContact SD-CE2 4.41Å; A633-Y637 HydrophobicContact CB-CD2 4.39Å; A633-Y637 HydrophobicContact CB-CE2 4.41Å; A633-Y637 WeakPolarHBondContact O-CD2 3.32Å; A633-Y637 PolarHBondContact O-N 2.71Å; Y637-A639 VanDerWaalsContact C-N 3.32Å; Y637-A639 PolarHBondContact O-N 2.65Å; Y637-I640 PolarHBondContact O-N 2.91Å; Y637-G641 PolarHBondContact O-N 3.25Å; Y637-G641 VanDerWaalsContact O-N 3.09Å; Y637-E642 HydrophobicContact CD1-CB 3.94Å; Y637-E642 HydrophobicContact CD1-CG 4.38Å; Y637-E642 PolarHBondContact O-N 2.85Å; Y637-R645 HydrophobicContact CD1-CB 3.91Å; Y637-R645 HydrophobicContact CD1-CG 4.29Å; Y637-R645 HydrophobicContact CE1-CB 4.27Å; Y637-R645 HydrophobicContact CE1-CG 4.33Å; Y637-R645 HydrophobicContact CG-CB 4.1Å; Y637-I649 HydrophobicContact CD2-CD1 3.45Å; Y637-I649 VanDerWaalsContact CD2-CD1 3.45Å; Y637-I649 HydrophobicContact CE2-CD1 3.87Å; Y637-I649 HydrophobicContact CG-CD1 4.38Å; Y637-F668 HydrophobicContact CE2-CZ 4.11Å; Y637-F668 AromaticContact CZ-CZ 3.85Å
638A93.8Very high92.4Very high54 Ų5454 Ų5445%0.44629%0.29SS..Hα-helixtrans-61.7-41.2173.400000111.6E634 A636 I640 G641 V646E634-A638 VanDerWaalsContact O-CB 3.24Å; E634-A638 WeakPolarHBondContact O-CB 3.43Å; E634-A638 PolarHBondContact O-N 3.4Å; A636-A638 VanDerWaalsContact C-N 3.31Å; A636-A638 PolarHBondContact O-N 2.92Å; A638-I640 VanDerWaalsContact C-N 3.29Å; A638-I640 PolarHBondContact O-N 2.93Å; A638-G641 PolarHBondContact O-N 3.23Å; A638-V646 HydrophobicContact CB-CG2 4.06Å
639A92.9Very high92.5Very high47 Ų4746.4 Ų46.439%0.38826%0.262SS..Hα-helixtrans-65.6-29.7177.200000113.4W617 M635 A636 Y637W617-A639 HydrophobicContact CD2-CB 3.59Å; W617-A639 HydrophobicContact CE3-CB 3.71Å; W617-A639 HydrophobicContact CG-CB 4Å; W617-A639 HydrophobicContact CH2-CB 4.36Å; W617-A639 HydrophobicContact CZ2-CB 4.29Å; W617-A639 HydrophobicContact CZ3-CB 4.08Å; M635-A639 WeakPolarHBondContact O-CB 3.45Å; M635-A639 PolarHBondContact O-N 3.18Å; A636-A639 WeakPolarHBondContact O-CB 3.28Å; A636-A639 PolarHBondContact O-N 3Å; Y637-A639 VanDerWaalsContact C-N 3.32Å; Y637-A639 PolarHBondContact O-N 2.65Å
640I92.8Very high92.5Very high11 Ų1147.2 Ų47.26%0.05627%0.266CS..Hα-helixtrans-82.9-18.1177.8-58.4155.8000111.9L544 R547 W617 A618 A621 A636 Y637 A638 E642L544-I640 HydrophobicContact CD1-CD1 4.27Å; R547-I640 PolarHBondContact NH1-O 3.43Å; W617-I640 HydrophobicContact CB-CD1 4.32Å; W617-I640 HydrophobicContact CB-CG1 3.79Å; A618-I640 HydrophobicContact CB-CD1 4.01Å; A621-I640 HydrophobicContact CB-CD1 3.86Å; A636-I640 VanDerWaalsContact O-CD1 3.3Å; A636-I640 WeakPolarHBondContact O-CD1 3.45Å; A636-I640 VanDerWaalsContact O-CG1 3.25Å; A636-I640 WeakPolarHBondContact O-CG1 3.45Å; A636-I640 PolarHBondContact O-N 3.25Å; A636-I640 VanDerWaalsContact O-N 3.14Å; Y637-I640 PolarHBondContact O-N 2.91Å; A638-I640 VanDerWaalsContact C-N 3.29Å; A638-I640 PolarHBondContact O-N 2.93Å; I640-E642 HydrophobicContact CG2-CG 4.13Å
641G91.3Very high92.4Very high49 Ų4950.5 Ų50.551%0.50528%0.279SS..THydrogen-bonded Turntrans89.417.1-177.900000114.9Y637 A638 L643Y637-G641 PolarHBondContact O-N 3.25Å; Y637-G641 VanDerWaalsContact O-N 3.09Å; A638-G641 PolarHBondContact O-N 3.23Å; G641-L643 VanDerWaalsContact C-N 3.35Å; G641-L643 PolarHBondContact O-N 2.89Å; G641-L643 VanDerWaalsContact O-N 3.11Å
642E90.1Very high92.2Very high50 Ų5045.7 Ų45.723%0.23425%0.254CS..  trans-86.870.3-179.9-69.8-63159.100111.5R547 Y637 I640 P644 R645 V646R547-E642 IonicContact CZ-OE1 3.08Å; R547-E642 IonicContact NE-OE1 2.74Å; R547-E642 IonicContact NH2-OE1 3.46Å; R547-E642 PolarHBondContact NH2-OE1 2.71Å; Y637-E642 HydrophobicContact CD1-CB 3.94Å; Y637-E642 HydrophobicContact CD1-CG 4.38Å; Y637-E642 PolarHBondContact O-N 2.85Å; I640-E642 HydrophobicContact CG2-CG 4.13Å; E642-P644 VanDerWaalsContact C-CD 3.48Å; E642-R645 HydrophobicContact CB-CB 4.19Å; E642-R645 HydrophobicContact CB-CG 4.09Å; E642-R645 PolarHBondContact O-N 2.91Å; E642-V646 PolarHBondContact O-N 2.9Å
643L90.5Very high91.9Very high117 Ų11748.7 Ų48.761%0.61327%0.266SS*.Hα-helixtrans-55.8-42.3-176.4-65173000114.7G641 R645 V646 Q647G641-L643 VanDerWaalsContact C-N 3.35Å; G641-L643 PolarHBondContact O-N 2.89Å; G641-L643 VanDerWaalsContact O-N 3.11Å; L643-R645 VanDerWaalsContact C-N 3.26Å; L643-R645 PolarHBondContact O-N 3.16Å; L643-V646 PolarHBondContact O-N 2.84Å; L643-Q647 WeakPolarHBondContact O-CG 3.44Å; L643-Q647 PolarHBondContact O-N 2.84Å
644P90.6Very high91.6Very high88 Ų8856.1 Ų56.157%0.57130%0.301SS*.Hα-helixtrans-61.3-36.3179.2-23.434.9000112.6E642 Q647 Y648E642-P644 VanDerWaalsContact C-CD 3.48Å; P644-Q647 PolarHBondContact O-N 3.46Å; P644-Y648 PolarHBondContact O-N 3.21Å
645R90.1Very high91.2Very high43 Ų4354.7 Ų54.716%0.16229%0.294CS..Hα-helixtrans-68.4-41.2178-59.8-64.2-174.7138.97111D541 E543 Y637 E642 L643 Y648 I649 F668D541-R645 IonicContact OD1-CZ 2.78Å; D541-R645 IonicContact OD1-NH1 3.31Å; D541-R645 IonicContact OD1-NH2 2.71Å; D541-R645 PolarHBondContact OD1-NH2 2.92Å; D541-R645 IonicContact OD2-CZ 2.61Å; D541-R645 IonicContact OD2-NE 3.79Å; D541-R645 IonicContact OD2-NH1 2.83Å; D541-R645 PolarHBondContact OD2-NH1 2.88Å; D541-R645 IonicContact OD2-NH2 3.65Å; D541-R645 PolarHBondContact OD2-NH2 3.44Å; E543-R645 IonicContact OE2-CZ 2.66Å; E543-R645 IonicContact OE2-NE 3.73Å; E543-R645 IonicContact OE2-NH2 3.42Å; E543-R645 PolarHBondContact OE2-NH2 3.43Å; Y637-R645 HydrophobicContact CD1-CB 3.91Å; Y637-R645 HydrophobicContact CD1-CG 4.29Å; Y637-R645 HydrophobicContact CE1-CB 4.27Å; Y637-R645 HydrophobicContact CE1-CG 4.33Å; Y637-R645 HydrophobicContact CG-CB 4.1Å; E642-R645 HydrophobicContact CB-CB 4.19Å; E642-R645 HydrophobicContact CB-CG 4.09Å; E642-R645 PolarHBondContact O-N 2.91Å; L643-R645 VanDerWaalsContact C-N 3.26Å; L643-R645 PolarHBondContact O-N 3.16Å; R645-Y648 PolarHBondContact O-N 2.68Å; R645-I649 VanDerWaalsContact O-CG1 3.28Å; R645-I649 WeakPolarHBondContact O-CG1 3.36Å; R645-I649 PolarHBondContact O-N 3.47Å; R645-F668 HydrophobicContact CB-CE2 4.28Å; R645-F668 HydrophobicContact CG-CE2 4.46Å
646V92.1Very high90.5Very high17 Ų1753.1 Ų53.110%0.10329%0.289CS..Hα-helixtrans-61.1-47174.7175.50000111.4E634 A638 E642 L643 Y648 I649 N650E634-V646 HydrophobicContact CG-CG1 3.91Å; A638-V646 HydrophobicContact CB-CG2 4.06Å; E642-V646 PolarHBondContact O-N 2.9Å; L643-V646 PolarHBondContact O-N 2.84Å; V646-Y648 VanDerWaalsContact C-N 3.31Å; V646-Y648 PolarHBondContact O-N 2.81Å; V646-I649 PolarHBondContact O-N 3.18Å; V646-N650 PolarHBondContact O-N 2.86Å
647Q92Very high90Very high141 Ų14153.6 Ų53.666%0.65929%0.293SS*.Hα-helixtrans-59.6-43.1177.6-72.6178.4-12.800111.7L643 P644 N650 F651L643-Q647 WeakPolarHBondContact O-CG 3.44Å; L643-Q647 PolarHBondContact O-N 2.84Å; P644-Q647 PolarHBondContact O-N 3.46Å; Q647-N650 PolarHBondContact O-N 2.76Å; Q647-F651 PolarHBondContact O-N 3.25Å
648Y91.1Very high89.6Confident63 Ų6362.2 Ų62.225%0.24733%0.33CS..Hα-helixtrans-67.8-36.6177.2-167.7-98.9000112.4P644 R645 V646 N650 F651 I652 H664 F668P644-Y648 PolarHBondContact O-N 3.21Å; R645-Y648 PolarHBondContact O-N 2.68Å; V646-Y648 VanDerWaalsContact C-N 3.31Å; V646-Y648 PolarHBondContact O-N 2.81Å; Y648-N650 VanDerWaalsContact C-N 3.33Å; Y648-N650 PolarHBondContact O-N 3.02Å; Y648-F651 HydrophobicContact CD2-CD1 4.3Å; Y648-F651 HydrophobicContact CE2-CD1 4.13Å; Y648-F651 HydrophobicContact CE2-CE1 4.49Å; Y648-F651 WeakPolarHBondContact O-CB 3.39Å; Y648-F651 PolarHBondContact O-N 2.83Å; Y648-I652 HydrophobicContact CD1-CD1 3.72Å; Y648-I652 HydrophobicContact CD1-CG1 4.1Å; Y648-I652 HydrophobicContact CE1-CD1 3.68Å; Y648-I652 HydrophobicContact CE1-CG1 3.97Å; Y648-I652 VanDerWaalsContact O-CG1 3.32Å; Y648-I652 WeakPolarHBondContact O-CG1 3.33Å; Y648-I652 PolarHBondContact O-N 3.04Å; Y648-H664 PolarHBondContact OH-O 3.39Å; Y648-F668 AromaticContact CD1-CD2 3.71Å; Y648-F668 HydrophobicContact CD1-CD2 3.71Å; Y648-F668 HydrophobicContact CE1-CB 4.04Å; Y648-F668 HydrophobicContact CE1-CD2 4.09Å
649I91.3Very high89.2Confident0 Ų063.9 Ų63.90%033%0.329CS..Hα-helixtrans-62.3-41.5173.1-72164.2000111.1M625 L630 A633 E634 Y637 R645 V646 F651 I652 K653M625-I649 HydrophobicContact SD-CD1 3.96Å; M625-I649 HydrophobicContact SD-CG1 4.17Å; L630-I649 HydrophobicContact CB-CG2 4.2Å; L630-I649 HydrophobicContact CD2-CG2 4.4Å; A633-I649 HydrophobicContact CB-CD1 4.13Å; E634-I649 HydrophobicContact CB-CG2 4.09Å; Y637-I649 HydrophobicContact CD2-CD1 3.45Å; Y637-I649 VanDerWaalsContact CD2-CD1 3.45Å; Y637-I649 HydrophobicContact CE2-CD1 3.87Å; Y637-I649 HydrophobicContact CG-CD1 4.38Å; R645-I649 VanDerWaalsContact O-CG1 3.28Å; R645-I649 WeakPolarHBondContact O-CG1 3.36Å; R645-I649 PolarHBondContact O-N 3.47Å; V646-I649 PolarHBondContact O-N 3.18Å; I649-F651 VanDerWaalsContact C-N 3.32Å; I649-F651 PolarHBondContact O-N 2.99Å; I649-I652 WeakPolarHBondContact O-CB 3.49Å; I649-I652 PolarHBondContact O-N 2.93Å; I649-I652 VanDerWaalsContact O-N 3.14Å; I649-K653 HydrophobicContact CG2-CD 4.43Å; I649-K653 WeakPolarHBondContact O-CG 3.31Å; I649-K653 PolarHBondContact O-N 2.83Å
650N91.8Very high88.9Confident51 Ų5161.6 Ų61.627%0.27331%0.31SS..Hα-helixtrans-64.1-39.7175-72.9-16.6000111.5E634 V646 Q647 Y648 I652 K653 E654E634-N650 VanDerWaalsContact CD-OD1 3.24Å; E634-N650 PolarHBondContact OE1-ND2 3.17Å; E634-N650 PolarHBondContact OE1-OD1 2.86Å; E634-N650 PolarHBondContact OE2-OD1 3.24Å; V646-N650 PolarHBondContact O-N 2.86Å; Q647-N650 PolarHBondContact O-N 2.76Å; Y648-N650 VanDerWaalsContact C-N 3.33Å; Y648-N650 PolarHBondContact O-N 3.02Å; N650-I652 VanDerWaalsContact C-N 3.32Å; N650-I652 PolarHBondContact O-N 3.13Å; N650-K653 WeakPolarHBondContact O-CB 3.37Å; N650-K653 PolarHBondContact O-N 2.75Å; N650-K653 VanDerWaalsContact O-N 3.14Å; N650-E654 WeakPolarHBondContact O-CG 3.32Å; N650-E654 PolarHBondContact O-N 3.05Å
651F90.4Very high88.6Confident91 Ų9162.1 Ų62.140%0.39931%0.314SS..Hα-helixtrans-60.5-37.7170.9175-101.6000113.2Q647 Y648 I649 E654 Q655 H664Q647-F651 PolarHBondContact O-N 3.25Å; Y648-F651 HydrophobicContact CD2-CD1 4.3Å; Y648-F651 HydrophobicContact CE2-CD1 4.13Å; Y648-F651 HydrophobicContact CE2-CE1 4.49Å; Y648-F651 WeakPolarHBondContact O-CB 3.39Å; Y648-F651 PolarHBondContact O-N 2.83Å; I649-F651 VanDerWaalsContact C-N 3.32Å; I649-F651 PolarHBondContact O-N 2.99Å; F651-E654 PolarHBondContact O-N 3.29Å; F651-Q655 VanDerWaalsContact CE1-NE2 3.34Å; F651-Q655 VanDerWaalsContact CE2-NE2 3.3Å; F651-Q655 WeakPolarHBondContact O-CG 3.24Å; F651-Q655 PolarHBondContact O-N 2.88Å; F651-Q655 PolarHBondContact O-NE2 3.11Å; F651-H664 AromaticContact CE1-CD2 3.56Å; F651-H664 AromaticContact CE1-NE2 3.61Å
652I89.1Confident88.4Confident0 Ų061.8 Ų61.80%030%0.301CS..Hα-helixtrans-64.5-40.4174-66.8168.2000111L630 Y648 I649 N650 E654 Q655 S661 H664 M665L630-I652 HydrophobicContact CD1-CB 4.45Å; L630-I652 HydrophobicContact CD1-CG2 3.63Å; L630-I652 HydrophobicContact CD2-CG2 4.34Å; Y648-I652 HydrophobicContact CD1-CD1 3.72Å; Y648-I652 HydrophobicContact CD1-CG1 4.1Å; Y648-I652 HydrophobicContact CE1-CD1 3.68Å; Y648-I652 HydrophobicContact CE1-CG1 3.97Å; Y648-I652 VanDerWaalsContact O-CG1 3.32Å; Y648-I652 WeakPolarHBondContact O-CG1 3.33Å; Y648-I652 PolarHBondContact O-N 3.04Å; I649-I652 WeakPolarHBondContact O-CB 3.49Å; I649-I652 PolarHBondContact O-N 2.93Å; I649-I652 VanDerWaalsContact O-N 3.14Å; N650-I652 VanDerWaalsContact C-N 3.32Å; N650-I652 PolarHBondContact O-N 3.13Å; I652-E654 VanDerWaalsContact C-N 3.31Å; I652-Q655 WeakPolarHBondContact O-CB 3.48Å; I652-Q655 WeakPolarHBondContact O-CG 3.37Å; I652-Q655 PolarHBondContact O-N 2.82Å; I652-S661 VanDerWaalsContact CG2-OG 3.24Å; I652-S661 WeakPolarHBondContact CG2-OG 3.3Å; I652-S661 PolarHBondContact O-OG 2.81Å; I652-H664 HydrophobicContact CG1-CB 3.83Å; I652-M665 HydrophobicContact CD1-CG 4.19Å; I652-M665 HydrophobicContact CG2-CG 3.86Å
653K88.1Confident88.4Confident71 Ų7159.5 Ų59.531%0.30929%0.29SS..Hα-helixtrans-67.7-31.6179-71.7175170.5-167.80112.6L630 N631 E634 I649 N650 Q655L630-K653 HydrophobicContact CB-CD 4.45Å; L630-K653 HydrophobicContact CB-CG 4.13Å; L630-K653 HydrophobicContact CD1-CG 3.88Å; L630-K653 WeakPolarHBondContact O-CE 3.39Å; N631-K653 WeakPolarHBondContact OD1-CE 3.4Å; N631-K653 PolarHBondContact OD1-NZ 2.83Å; E634-K653 IonicContact OE2-NZ 3.3Å; E634-K653 PolarHBondContact OE2-NZ 3.14Å; I649-K653 HydrophobicContact CG2-CD 4.43Å; I649-K653 WeakPolarHBondContact O-CG 3.31Å; I649-K653 PolarHBondContact O-N 2.83Å; N650-K653 WeakPolarHBondContact O-CB 3.37Å; N650-K653 PolarHBondContact O-N 2.75Å; N650-K653 VanDerWaalsContact O-N 3.14Å; K653-Q655 VanDerWaalsContact C-N 3.28Å; K653-Q655 PolarHBondContact O-N 3.37Å
654E88.4Confident88.3Confident156 Ų15654.7 Ų54.773%0.72927%0.265SS*.THydrogen-bonded Turntrans-79.5-6.1177.9-71.6176.8-176.700113.6N650 F651 I652N650-E654 WeakPolarHBondContact O-CG 3.32Å; N650-E654 PolarHBondContact O-N 3.05Å; F651-E654 PolarHBondContact O-N 3.29Å; I652-E654 VanDerWaalsContact C-N 3.31Å
655Q85.4Confident88.1Confident27 Ų2751.9 Ų51.913%0.12625%0.245CC..  trans-62.8137.7179.7-67.9-53-54.700112F651 I652 K653 S657 S660F651-Q655 VanDerWaalsContact CE1-NE2 3.34Å; F651-Q655 VanDerWaalsContact CE2-NE2 3.3Å; F651-Q655 WeakPolarHBondContact O-CG 3.24Å; F651-Q655 PolarHBondContact O-N 2.88Å; F651-Q655 PolarHBondContact O-NE2 3.11Å; I652-Q655 WeakPolarHBondContact O-CB 3.48Å; I652-Q655 WeakPolarHBondContact O-CG 3.37Å; I652-Q655 PolarHBondContact O-N 2.82Å; K653-Q655 VanDerWaalsContact C-N 3.28Å; K653-Q655 PolarHBondContact O-N 3.37Å; Q655-S657 PolarHBondContact O-N 3.48Å; Q655-S660 PolarHBondContact OE1-OG 2.91Å
656P80.9Confident88Confident39 Ų3951.2 Ų51.225%0.25324%0.244SC..SBendtrans-72.8-30.2-173.328.6-35.2000113.4E760 R761 A764P656-E760 HydrophobicContact CG-CG 3.94Å; P656-R761 HydrophobicContact CB-CG 3.55Å; P656-R761 HydrophobicContact CG-CG 4.36Å; P656-A764 WeakPolarHBondContact O-CB 3.44Å
657S83.9Confident87.8Confident10 Ų1052 Ų527%0.0725%0.247CC..SBendtrans-115.5149.6-177.869.30000112.2Q655 E659 S660 S661 E760Q655-S657 PolarHBondContact O-N 3.48Å; S657-E659 VanDerWaalsContact C-N 3.27Å; S657-E659 PolarHBondContact O-N 3.33Å; S657-S660 PolarHBondContact O-N 2.84Å; S657-S660 WeakPolarHBondContact OG-CB 3.25Å; S657-S660 PolarHBondContact OG-N 2.9Å; S657-S661 PolarHBondContact O-N 2.98Å; S657-E760 WeakPolarHBondContact CB-OE1 3.11Å; S657-E760 PolarHBondContact OG-OE1 2.93Å
658K85Confident87.5Confident181 Ų18146.1 Ų46.179%0.78722%0.219SC*.Hα-helixtrans-65.4-35.4176.3-71.4-173.7178.4-177.90111.1S661 L662K658-S661 PolarHBondContact O-N 2.66Å; K658-L662 WeakPolarHBondContact O-CB 3.26Å; K658-L662 PolarHBondContact O-N 3.07Å
659E86.1Confident87.2Confident89 Ų8944.1 Ų44.142%0.41621%0.214SC..Hα-helixtrans-68.6-40.9178.3-62.674.1-164.200111.4S657 L662 A663 A682 L684S657-E659 VanDerWaalsContact C-N 3.27Å; S657-E659 PolarHBondContact O-N 3.33Å; E659-L662 PolarHBondContact O-N 3.09Å; E659-A663 WeakPolarHBondContact O-CB 3.42Å; E659-A663 PolarHBondContact O-N 2.79Å; E659-A682 HydrophobicContact CB-CB 3.79Å; E659-A682 HydrophobicContact CG-CB 3.88Å; E659-L684 HydrophobicContact CB-CD1 4.27Å
660S85.6Confident86.8Confident0 Ų046.5 Ų46.50%024%0.239CC..Hα-helixtrans-64.6-44.9171.8178.40000111.4Q655 S657 L662 A663 H664 E760Q655-S660 PolarHBondContact OE1-OG 2.91Å; S657-S660 PolarHBondContact O-N 2.84Å; S657-S660 WeakPolarHBondContact OG-CB 3.25Å; S657-S660 PolarHBondContact OG-N 2.9Å; S660-L662 VanDerWaalsContact C-N 3.31Å; S660-L662 PolarHBondContact O-N 2.92Å; S660-A663 PolarHBondContact O-N 3.2Å; S660-H664 PolarHBondContact O-N 3.12Å; S660-H664 PolarHBondContact O-ND1 2.89Å; S660-H664 PolarHBondContact OG-CE1 3.44Å; S660-H664 VanDerWaalsContact OG-CE1 3.3Å; S660-H664 PolarHBondContact OG-ND1 3.41Å; S660-E760 VanDerWaalsContact CB-OE1 3.32Å; S660-E760 WeakPolarHBondContact CB-OE1 3.36Å
661S87.5Confident86.4Confident21 Ų2146.6 Ų46.615%0.14724%0.237CC..Hα-helixtrans-57.9-44.2175.7-169.50000111.4I652 S657 K658 A663 H664 M665I652-S661 VanDerWaalsContact CG2-OG 3.24Å; I652-S661 WeakPolarHBondContact CG2-OG 3.3Å; I652-S661 PolarHBondContact O-OG 2.81Å; S657-S661 PolarHBondContact O-N 2.98Å; K658-S661 PolarHBondContact O-N 2.66Å; S661-A663 PolarHBondContact O-N 3.3Å; S661-H664 PolarHBondContact O-N 3.28Å; S661-M665 WeakPolarHBondContact O-CG 3.42Å; S661-M665 PolarHBondContact O-N 3.43Å
662L87.4Confident86.2Confident43 Ų4344 Ų4423%0.22523%0.229CC..Hα-helixtrans-61.7-43.4175.5-177.762.9000112.7K658 E659 S660 H664 M665 L666 T678K658-L662 WeakPolarHBondContact O-CB 3.26Å; K658-L662 PolarHBondContact O-N 3.07Å; E659-L662 PolarHBondContact O-N 3.09Å; S660-L662 VanDerWaalsContact C-N 3.31Å; S660-L662 PolarHBondContact O-N 2.92Å; L662-H664 VanDerWaalsContact C-N 3.34Å; L662-H664 PolarHBondContact O-N 2.87Å; L662-M665 HydrophobicContact CB-CE 4.3Å; L662-M665 HydrophobicContact CD1-CE 3.95Å; L662-M665 PolarHBondContact O-N 3.14Å; L662-L666 HydrophobicContact CG-CD1 4.39Å; L662-L666 WeakPolarHBondContact O-CG 3.24Å; L662-L666 PolarHBondContact O-N 3.25Å; L662-T678 HydrophobicContact CD2-CG2 4.02Å; L662-T678 HydrophobicContact CG-CG2 4.4Å
663A88.4Confident86.1Confident1 Ų151.8 Ų51.81%0.00827%0.266CS..Hα-helixtrans-62.2-41.8176.700000111.9E659 S660 S661 M665 L666 M667 A675 L679E659-A663 WeakPolarHBondContact O-CB 3.42Å; E659-A663 PolarHBondContact O-N 2.79Å; S660-A663 PolarHBondContact O-N 3.2Å; S661-A663 PolarHBondContact O-N 3.3Å; A663-M665 PolarHBondContact O-N 3.3Å; A663-L666 PolarHBondContact O-N 2.84Å; A663-M667 WeakPolarHBondContact O-CG 3.36Å; A663-M667 PolarHBondContact O-N 3.3Å; A663-A675 HydrophobicContact CB-CB 4.22Å; A663-A675 VanDerWaalsContact O-CB 3.31Å; A663-A675 WeakPolarHBondContact O-CB 3.36Å; A663-L679 HydrophobicContact CB-CD1 3.86Å; A663-L679 HydrophobicContact CB-CD2 3.55Å; A663-L679 HydrophobicContact CB-CG 3.47Å; A663-L679 VanDerWaalsContact CB-CG 3.47Å
664H88.7Confident85.9Confident16 Ų1651.4 Ų51.47%0.07427%0.265CS..Hα-helixtrans-69.5-30176.9-7094.3000113.1Y648 F651 I652 S660 S661 L662 M667 F668Y648-H664 PolarHBondContact OH-O 3.39Å; F651-H664 AromaticContact CE1-CD2 3.56Å; F651-H664 AromaticContact CE1-NE2 3.61Å; I652-H664 HydrophobicContact CG1-CB 3.83Å; S660-H664 PolarHBondContact O-N 3.12Å; S660-H664 PolarHBondContact O-ND1 2.89Å; S660-H664 PolarHBondContact OG-CE1 3.44Å; S660-H664 VanDerWaalsContact OG-CE1 3.3Å; S660-H664 PolarHBondContact OG-ND1 3.41Å; S661-H664 PolarHBondContact O-N 3.28Å; L662-H664 VanDerWaalsContact C-N 3.34Å; L662-H664 PolarHBondContact O-N 2.87Å; H664-M667 WeakPolarHBondContact O-CB 3.42Å; H664-M667 PolarHBondContact O-N 2.89Å; H664-F668 PolarHBondContact O-N 3.25Å
665M87.6Confident85.9Confident30 Ų3044 Ų4415%0.14823%0.23CC..Hα-helixtrans-68-40.2168.9-72.2-171.7-71.400112.3R628 L630 I652 S661 L662 A663 M667 F668 S669R628-M665 HydrophobicContact CB-CE 4.49Å; R628-M665 HydrophobicContact CB-SD 4.11Å; R628-M665 HydrophobicContact CG-CE 4.48Å; R628-M665 HydrophobicContact CG-SD 4.29Å; L630-M665 HydrophobicContact CD2-CG 4.3Å; L630-M665 HydrophobicContact CD2-SD 3.96Å; L630-M665 HydrophobicContact CG-SD 4.43Å; I652-M665 HydrophobicContact CD1-CG 4.19Å; I652-M665 HydrophobicContact CG2-CG 3.86Å; S661-M665 WeakPolarHBondContact O-CG 3.42Å; S661-M665 PolarHBondContact O-N 3.43Å; L662-M665 HydrophobicContact CB-CE 4.3Å; L662-M665 HydrophobicContact CD1-CE 3.95Å; L662-M665 PolarHBondContact O-N 3.14Å; A663-M665 PolarHBondContact O-N 3.3Å; M665-M667 VanDerWaalsContact C-N 3.31Å; M665-F668 WeakPolarHBondContact O-CB 3.28Å; M665-F668 PolarHBondContact O-N 3.44Å; M665-S669 PolarHBondContact O-N 3.43Å; M665-S669 PolarHBondContact O-OG 3.09Å
666L86.8Confident86.1Confident28 Ų2843.3 Ų43.315%0.14723%0.227CC..Hα-helixtrans-65.1-38.2173.8-71.2170.8000111.1L662 A663 S669 G670 H671 E674 A675L662-L666 HydrophobicContact CG-CD1 4.39Å; L662-L666 WeakPolarHBondContact O-CG 3.24Å; L662-L666 PolarHBondContact O-N 3.25Å; A663-L666 PolarHBondContact O-N 2.84Å; L666-S669 CarbonylContact O-C 3.58Å; L666-S669 PolarHBondContact O-N 3.35Å; L666-S669 PolarHBondContact O-OG 2.92Å; L666-G670 PolarHBondContact O-N 3.1Å; L666-H671 HydrophobicContact CB-CB 4.31Å; L666-H671 HydrophobicContact CD2-CB 4.3Å; L666-H671 PolarHBondContact O-N 2.98Å; L666-E674 HydrophobicContact CD1-CB 4.08Å; L666-A675 HydrophobicContact CB-CB 3.92Å
667M87.3Confident86.5Confident33 Ų3344.8 Ų44.816%0.16324%0.235CC..Hα-helixtrans-60.2-44.8170.6-78.4-105.1-72.100112.3A663 H664 M665 S669 G670 A675 M691 L695A663-M667 WeakPolarHBondContact O-CG 3.36Å; A663-M667 PolarHBondContact O-N 3.3Å; H664-M667 WeakPolarHBondContact O-CB 3.42Å; H664-M667 PolarHBondContact O-N 2.89Å; M665-M667 VanDerWaalsContact C-N 3.31Å; M667-S669 PolarHBondContact O-N 3.27Å; M667-G670 PolarHBondContact O-N 3.38Å; M667-A675 HydrophobicContact CG-CB 3.82Å; M667-M691 HydrophobicContact CE-CG 3.55Å; M667-M691 HydrophobicContact CE-SD 4.47Å; M667-M691 HydrophobicContact CG-CG 4.14Å; M667-M691 HydrophobicContact CG-SD 3.82Å; M667-M691 HydrophobicContact SD-CG 3.29Å; M667-M691 WeakPolarHBondContact SD-CG 3.35Å; M667-M691 HydrophobicContact SD-SD 3.58Å; M667-L695 HydrophobicContact SD-CD1 3.76Å; M667-L695 HydrophobicContact SD-CD2 4.41Å; M667-L695 HydrophobicContact SD-CG 4.26Å
668F87.3Confident86.7Confident19 Ų1945.6 Ų45.68%0.08324%0.24CC..Hα-helixtrans-54.7-40.2176.1-175.7-86.9000111.8D541 M625 Y637 R645 Y648 H664 M665 G670D541-F668 HydrophobicContact CB-CE1 4.34Å; M625-F668 HydrophobicContact CE-CB 4.43Å; M625-F668 HydrophobicContact CE-CD1 3.6Å; M625-F668 HydrophobicContact CE-CD2 4.29Å; M625-F668 HydrophobicContact CE-CE1 3.83Å; M625-F668 HydrophobicContact CE-CE2 4.44Å; M625-F668 HydrophobicContact CE-CG 3.85Å; M625-F668 HydrophobicContact CE-CZ 4.23Å; M625-F668 HydrophobicContact CG-CE1 4.14Å; Y637-F668 HydrophobicContact CE2-CZ 4.11Å; Y637-F668 AromaticContact CZ-CZ 3.85Å; R645-F668 HydrophobicContact CB-CE2 4.28Å; R645-F668 HydrophobicContact CG-CE2 4.46Å; Y648-F668 AromaticContact CD1-CD2 3.71Å; Y648-F668 HydrophobicContact CD1-CD2 3.71Å; Y648-F668 HydrophobicContact CE1-CB 4.04Å; Y648-F668 HydrophobicContact CE1-CD2 4.09Å; H664-F668 PolarHBondContact O-N 3.25Å; M665-F668 WeakPolarHBondContact O-CB 3.28Å; M665-F668 PolarHBondContact O-N 3.44Å; F668-G670 VanDerWaalsContact C-N 3.27Å; F668-G670 PolarHBondContact O-N 3.13Å
669S83.4Confident87Confident21 Ų2137 Ų3715%0.14720%0.203CC..THydrogen-bonded Turntrans-82.83.2178.157.70000115.2T540 M665 L666 M667 H671T540-S669 VanDerWaalsContact O-CA 3.28Å; T540-S669 WeakPolarHBondContact O-CA 3.42Å; M665-S669 PolarHBondContact O-N 3.43Å; M665-S669 PolarHBondContact O-OG 3.09Å; L666-S669 CarbonylContact O-C 3.58Å; L666-S669 PolarHBondContact O-N 3.35Å; L666-S669 PolarHBondContact O-OG 2.92Å; M667-S669 PolarHBondContact O-N 3.27Å; S669-H671 VanDerWaalsContact C-N 3.33Å; S669-H671 WeakPolarHBondContact CB-ND1 3.11Å; S669-H671 PolarHBondContact O-ND1 3.29Å; S669-H671 PolarHBondContact OG-ND1 2.84Å
670G83.1Confident87.1Confident50 Ų5035.1 Ų35.152%0.51520%0.195SC..THydrogen-bonded Turntrans76.912.9-179.900000114.7L666 M667 F668 V672L666-G670 PolarHBondContact O-N 3.1Å; M667-G670 PolarHBondContact O-N 3.38Å; F668-G670 VanDerWaalsContact C-N 3.27Å; F668-G670 PolarHBondContact O-N 3.13Å; G670-V672 VanDerWaalsContact C-N 3.3Å; G670-V672 PolarHBondContact O-N 2.98Å
671H84.6Confident87.3Confident52 Ų5243 Ų4324%0.24123%0.232CC..  trans-88.660.8177.4-60.892000111.5F539 L666 S669 Q673 E674 A675F539-H671 PolarHBondContact O-CE1 2.75Å; L666-H671 HydrophobicContact CB-CB 4.31Å; L666-H671 HydrophobicContact CD2-CB 4.3Å; L666-H671 PolarHBondContact O-N 2.98Å; S669-H671 VanDerWaalsContact C-N 3.33Å; S669-H671 WeakPolarHBondContact CB-ND1 3.11Å; S669-H671 PolarHBondContact O-ND1 3.29Å; S669-H671 PolarHBondContact OG-ND1 2.84Å; H671-Q673 PolarHBondContact O-N 3.09Å; H671-E674 HydrophobicContact CB-CB 4.18Å; H671-E674 HydrophobicContact CB-CG 4.35Å; H671-E674 PolarHBondContact O-N 2.84Å; H671-A675 PolarHBondContact O-N 3.32Å
672V85.5Confident87.2Confident38 Ų3843.2 Ų43.223%0.2324%0.235CC..Hα-helixtrans-58.3-43.2-174.1177.70000113G670 E674 A675 E676 M691 L695G670-V672 VanDerWaalsContact C-N 3.3Å; G670-V672 PolarHBondContact O-N 2.98Å; V672-E674 VanDerWaalsContact C-N 3.31Å; V672-E674 PolarHBondContact O-N 2.87Å; V672-A675 PolarHBondContact O-N 2.79Å; V672-E676 PolarHBondContact O-N 2.89Å; V672-M691 HydrophobicContact CG1-CE 4.01Å; V672-L695 HydrophobicContact CB-CD1 4.15Å; V672-L695 HydrophobicContact CG1-CD1 3.3Å; V672-L695 HydrophobicContact CG2-CD1 3.69Å
673Q86.1Confident87.1Confident163 Ų16343.3 Ų43.376%0.76225%0.246SC*.Hα-helixtrans-65.8-37.1-179.3-67-179.9-0.800111.8H671 E676 T677H671-Q673 PolarHBondContact O-N 3.09Å; Q673-E676 PolarHBondContact O-N 2.86Å; Q673-T677 WeakPolarHBondContact O-CG2 3.46Å; Q673-T677 PolarHBondContact O-N 3.02Å; Q673-T677 PolarHBondContact O-OG1 3.17Å
674E84.6Confident87Confident62 Ų6244.1 Ų44.129%0.2925%0.25SS..Hα-helixtrans-69.6-44.1178.1-61.3-171.4-165.300110.4K498 L666 H671 V672 E676 T677 T678K498-E674 IonicContact NZ-OE1 3.27Å; K498-E674 PolarHBondContact NZ-OE1 3.38Å; K498-E674 IonicContact NZ-OE2 2.79Å; L666-E674 HydrophobicContact CD1-CB 4.08Å; H671-E674 HydrophobicContact CB-CB 4.18Å; H671-E674 HydrophobicContact CB-CG 4.35Å; H671-E674 PolarHBondContact O-N 2.84Å; V672-E674 VanDerWaalsContact C-N 3.31Å; V672-E674 PolarHBondContact O-N 2.87Å; E674-E676 VanDerWaalsContact C-N 3.3Å; E674-E676 PolarHBondContact O-N 3.35Å; E674-T677 VanDerWaalsContact CA-OG1 3.31Å; E674-T677 WeakPolarHBondContact CA-OG1 3.25Å; E674-T677 PolarHBondContact O-N 2.81Å; E674-T677 VanDerWaalsContact O-N 3.12Å; E674-T677 PolarHBondContact O-OG1 2.61Å; E674-T678 PolarHBondContact O-N 2.71Å; E674-T678 PolarHBondContact O-OG1 3.32Å
675A88.1Confident86.9Confident0 Ų045.3 Ų45.30%026%0.257CS..Hα-helixtrans-54.4-46.3172.200000111.5A663 L666 M667 H671 V672 T677 T678 L679 M691A663-A675 HydrophobicContact CB-CB 4.22Å; A663-A675 VanDerWaalsContact O-CB 3.31Å; A663-A675 WeakPolarHBondContact O-CB 3.36Å; L666-A675 HydrophobicContact CB-CB 3.92Å; M667-A675 HydrophobicContact CG-CB 3.82Å; H671-A675 PolarHBondContact O-N 3.32Å; V672-A675 PolarHBondContact O-N 2.79Å; A675-T677 PolarHBondContact O-N 3.13Å; A675-T678 PolarHBondContact O-N 2.99Å; A675-L679 WeakPolarHBondContact O-CG 3.48Å; A675-L679 PolarHBondContact O-N 2.56Å; A675-M691 HydrophobicContact CB-SD 3.73Å
676E89.7Confident87Confident14 Ų1444.7 Ų44.77%0.06525%0.253CS..Hα-helixtrans-58.1-49.9174.8-169.7-179.7132.600111.1V672 Q673 E674 T678 L679 L680 M691 N692 R700 L704V672-E676 PolarHBondContact O-N 2.89Å; Q673-E676 PolarHBondContact O-N 2.86Å; E674-E676 VanDerWaalsContact C-N 3.3Å; E674-E676 PolarHBondContact O-N 3.35Å; E676-T678 VanDerWaalsContact C-N 3.35Å; E676-T678 PolarHBondContact O-N 3.1Å; E676-L679 PolarHBondContact O-N 2.73Å; E676-L680 HydrophobicContact CG-CD1 3.89Å; E676-L680 HydrophobicContact CG-CG 4.33Å; E676-L680 WeakPolarHBondContact O-CB 3.5Å; E676-L680 VanDerWaalsContact O-CG 3.26Å; E676-L680 WeakPolarHBondContact O-CG 3.44Å; E676-L680 PolarHBondContact O-N 3.25Å; E676-M691 HydrophobicContact CB-CE 3.72Å; E676-M691 HydrophobicContact CG-CE 4.36Å; E676-N692 PolarHBondContact OE2-ND2 2.87Å; E676-N692 VanDerWaalsContact OE2-ND2 3.16Å; E676-R700 IonicContact OE1-CZ 3.77Å; E676-R700 VanDerWaalsContact OE1-CZ 3.29Å; E676-R700 IonicContact OE1-NE 3.44Å; E676-R700 PolarHBondContact OE1-NE 3.12Å; E676-R700 IonicContact OE1-NH2 2.87Å; E676-R700 PolarHBondContact OE1-NH2 2.95Å; E676-R700 IonicContact OE2-NE 3.09Å; E676-L704 HydrophobicContact CG-CD1 4.29Å
677T89.4Confident86.9Confident69 Ų6944.2 Ų44.242%0.42325%0.25SC..Hα-helixtrans-63.4-38.6-179.451.30000112.9Q673 E674 A675 L680 Q681Q673-T677 WeakPolarHBondContact O-CG2 3.46Å; Q673-T677 PolarHBondContact O-N 3.02Å; Q673-T677 PolarHBondContact O-OG1 3.17Å; E674-T677 VanDerWaalsContact CA-OG1 3.31Å; E674-T677 WeakPolarHBondContact CA-OG1 3.25Å; E674-T677 PolarHBondContact O-N 2.81Å; E674-T677 VanDerWaalsContact O-N 3.12Å; E674-T677 PolarHBondContact O-OG1 2.61Å; A675-T677 PolarHBondContact O-N 3.13Å; T677-L680 PolarHBondContact O-N 3.21Å; T677-Q681 WeakPolarHBondContact O-CB 3.33Å; T677-Q681 VanDerWaalsContact O-CG 3.25Å; T677-Q681 WeakPolarHBondContact O-CG 3.48Å; T677-Q681 PolarHBondContact O-N 3.01Å
678T89.8Confident86.9Confident27 Ų2742.6 Ų42.617%0.16624%0.242CC..Hα-helixtrans-63-45.5176.3-58.80000111L662 E674 A675 E676 Q681 A682L662-T678 HydrophobicContact CD2-CG2 4.02Å; L662-T678 HydrophobicContact CG-CG2 4.4Å; E674-T678 PolarHBondContact O-N 2.71Å; E674-T678 PolarHBondContact O-OG1 3.32Å; A675-T678 PolarHBondContact O-N 2.99Å; E676-T678 VanDerWaalsContact C-N 3.35Å; E676-T678 PolarHBondContact O-N 3.1Å; T678-Q681 PolarHBondContact O-N 3.42Å; T678-A682 WeakPolarHBondContact O-CB 3.24Å; T678-A682 PolarHBondContact O-N 2.79Å
679L89.4Confident87Confident2 Ų241.7 Ų41.71%0.0124%0.238CC..Hα-helixtrans-63.8-43.7177.1-68.9171.9000111.8A663 A675 E676 A682 G683 L684 Q687 A688 M691A663-L679 HydrophobicContact CB-CD1 3.86Å; A663-L679 HydrophobicContact CB-CD2 3.55Å; A663-L679 HydrophobicContact CB-CG 3.47Å; A663-L679 VanDerWaalsContact CB-CG 3.47Å; A675-L679 WeakPolarHBondContact O-CG 3.48Å; A675-L679 PolarHBondContact O-N 2.56Å; E676-L679 PolarHBondContact O-N 2.73Å; L679-A682 PolarHBondContact O-N 3.18Å; L679-G683 PolarHBondContact O-N 3.14Å; L679-G683 VanDerWaalsContact O-N 3.15Å; L679-L684 HydrophobicContact CB-CB 4.45Å; L679-L684 HydrophobicContact CD2-CB 4.11Å; L679-L684 HydrophobicContact CD2-CD1 4.01Å; L679-L684 PolarHBondContact O-N 3.1Å; L679-Q687 HydrophobicContact CD1-CB 4.09Å; L679-Q687 HydrophobicContact CD2-CB 3.92Å; L679-A688 HydrophobicContact CB-CB 3.97Å; L679-A688 HydrophobicContact CD1-CB 4.25Å; L679-M691 HydrophobicContact CD1-SD 4.02Å
680L89.6Confident87.2Confident49 Ų4942 Ų4226%0.25724%0.237SC..Hα-helixtrans-65.3-41.3178.6-69.6175.7000112.3E676 T677 A682 G683 A688 L704E676-L680 HydrophobicContact CG-CD1 3.89Å; E676-L680 HydrophobicContact CG-CG 4.33Å; E676-L680 WeakPolarHBondContact O-CB 3.5Å; E676-L680 VanDerWaalsContact O-CG 3.26Å; E676-L680 WeakPolarHBondContact O-CG 3.44Å; E676-L680 PolarHBondContact O-N 3.25Å; T677-L680 PolarHBondContact O-N 3.21Å; L680-A682 VanDerWaalsContact C-N 3.31Å; L680-A682 PolarHBondContact O-N 3.11Å; L680-G683 PolarHBondContact O-N 2.92Å; L680-G683 VanDerWaalsContact O-N 3.09Å; L680-A688 HydrophobicContact CD2-CB 4.08Å; L680-A688 HydrophobicContact CG-CB 4.31Å; L680-L704 HydrophobicContact CD1-CD2 4.11Å; L680-L704 HydrophobicContact CD2-CD2 4.32Å
681Q88.8Confident87.5Confident166 Ų16639.9 Ų39.978%0.77621%0.214SC*.Hα-helixtrans-64.3-35.5175.1-75.5175.5-1.700112.2T677 T678 G683T677-Q681 WeakPolarHBondContact O-CB 3.33Å; T677-Q681 VanDerWaalsContact O-CG 3.25Å; T677-Q681 WeakPolarHBondContact O-CG 3.48Å; T677-Q681 PolarHBondContact O-N 3.01Å; T678-Q681 PolarHBondContact O-N 3.42Å; Q681-G683 PolarHBondContact O-N 3.36Å
682A85.9Confident87.8Confident25 Ų2537.5 Ų37.521%0.20720%0.203CC..THydrogen-bonded Turntrans-74.1-9.2174.500000113.6E659 T678 L679 L680 L684 K763E659-A682 HydrophobicContact CB-CB 3.79Å; E659-A682 HydrophobicContact CG-CB 3.88Å; T678-A682 WeakPolarHBondContact O-CB 3.24Å; T678-A682 PolarHBondContact O-N 2.79Å; L679-A682 PolarHBondContact O-N 3.18Å; L680-A682 VanDerWaalsContact C-N 3.31Å; L680-A682 PolarHBondContact O-N 3.11Å; A682-L684 VanDerWaalsContact C-N 3.31Å; A682-L684 HydrophobicContact CB-CD1 4.11Å; A682-L684 HydrophobicContact CB-CG 4.05Å; A682-K763 PolarHBondContact O-NZ 3.43Å
683G85.1Confident88Confident44 Ų4435.9 Ų35.945%0.45419%0.193SC..THydrogen-bonded Turntrans7614.9-17500000114L679 L680 Q681 I685L679-G683 PolarHBondContact O-N 3.14Å; L679-G683 VanDerWaalsContact O-N 3.15Å; L680-G683 PolarHBondContact O-N 2.92Å; L680-G683 VanDerWaalsContact O-N 3.09Å; Q681-G683 PolarHBondContact O-N 3.36Å; G683-I685 VanDerWaalsContact C-N 3.27Å; G683-I685 PolarHBondContact O-N 2.79Å; G683-I685 VanDerWaalsContact O-N 3.1Å
684L86.8Confident88Confident19 Ų1932.4 Ų32.410%0.09918%0.179CC..  trans-86.564.8179.7-61.2175.5000110.4E659 L679 A682 Y686 Q687 A688 E760E659-L684 HydrophobicContact CB-CD1 4.27Å; L679-L684 HydrophobicContact CB-CB 4.45Å; L679-L684 HydrophobicContact CD2-CB 4.11Å; L679-L684 HydrophobicContact CD2-CD1 4.01Å; L679-L684 PolarHBondContact O-N 3.1Å; A682-L684 VanDerWaalsContact C-N 3.31Å; A682-L684 HydrophobicContact CB-CD1 4.11Å; A682-L684 HydrophobicContact CB-CG 4.05Å; L684-Y686 PolarHBondContact O-N 3.21Å; L684-Q687 HydrophobicContact CB-CB 4.17Å; L684-Q687 HydrophobicContact CB-CG 4.28Å; L684-Q687 PolarHBondContact O-N 2.95Å; L684-A688 PolarHBondContact O-N 3.24Å; L684-A688 VanDerWaalsContact O-N 3.16Å; L684-E760 HydrophobicContact CD2-CB 4.44Å; L684-E760 HydrophobicContact CD2-CG 3.83Å
685I87.1Confident88.2Confident41 Ų4132.5 Ų32.521%0.2118%0.182CC..Hα-helixtrans-65.8-41-172.2-60.1160.9000111.4G683 Q687 A688 I689 H708G683-I685 VanDerWaalsContact C-N 3.27Å; G683-I685 PolarHBondContact O-N 2.79Å; G683-I685 VanDerWaalsContact O-N 3.1Å; I685-Q687 PolarHBondContact O-N 2.97Å; I685-A688 PolarHBondContact O-N 3.25Å; I685-I689 HydrophobicContact CG2-CD1 3.96Å; I685-I689 HydrophobicContact CG2-CG1 4.49Å; I685-I689 WeakPolarHBondContact O-CG1 3.46Å; I685-I689 PolarHBondContact O-N 2.77Å; I685-H708 HydrophobicContact CD1-CB 4.13Å; I685-H708 WeakPolarHBondContact CD1-ND1 3.44Å; I685-H708 HydrophobicContact CG2-CB 3.85Å
686Y88.1Confident88.3Confident16 Ų1638.3 Ų38.36%0.06321%0.207CC..Hα-helixtrans-59.4-46.3177.4172-104.6000111.7L684 A688 I689 Q690 H711 I753 E756L684-Y686 PolarHBondContact O-N 3.21Å; Y686-A688 VanDerWaalsContact C-N 3.31Å; Y686-A688 PolarHBondContact O-N 3.45Å; Y686-I689 WeakPolarHBondContact O-CB 3.08Å; Y686-I689 PolarHBondContact O-N 3.49Å; Y686-I689 VanDerWaalsContact O-N 3.12Å; Y686-Q690 HydrophobicContact CE1-CB 4.46Å; Y686-Q690 WeakPolarHBondContact O-CB 3.33Å; Y686-Q690 PolarHBondContact O-N 2.91Å; Y686-Q690 PolarHBondContact OH-OE1 3.35Å; Y686-H711 AromaticContact CD2-CD2 3.89Å; Y686-H711 AromaticContact CD2-CE1 3.69Å; Y686-H711 AromaticContact CD2-CG 3.92Å; Y686-H711 AromaticContact CD2-ND1 3.8Å; Y686-H711 AromaticContact CD2-NE2 3.78Å; Y686-I753 HydrophobicContact CE1-CG2 3.97Å; Y686-I753 HydrophobicContact CE2-CD1 4.31Å; Y686-I753 HydrophobicContact CE2-CG1 3.68Å; Y686-I753 WeakPolarHBondContact OH-CD1 3.42Å; Y686-I753 WeakPolarHBondContact OH-CG1 3.5Å; Y686-I753 WeakPolarHBondContact OH-CG2 2.88Å; Y686-E756 HydrophobicContact CD1-CB 4.4Å; Y686-E756 HydrophobicContact CG-CB 4.38Å
687Q86.2Confident88.3Confident18 Ų1841.4 Ų41.48%0.08422%0.224CC..Hα-helixtrans-59.8-40.8176.6-67.4-70.8-3.100111.6L679 L684 I685 I689 Q690 M691 E760L679-Q687 HydrophobicContact CD1-CB 4.09Å; L679-Q687 HydrophobicContact CD2-CB 3.92Å; L684-Q687 HydrophobicContact CB-CB 4.17Å; L684-Q687 HydrophobicContact CB-CG 4.28Å; L684-Q687 PolarHBondContact O-N 2.95Å; I685-Q687 PolarHBondContact O-N 2.97Å; Q687-I689 VanDerWaalsContact C-N 3.32Å; Q687-I689 PolarHBondContact O-N 3.1Å; Q687-Q690 PolarHBondContact O-N 2.87Å; Q687-M691 WeakPolarHBondContact O-CB 3.49Å; Q687-M691 PolarHBondContact O-N 3.37Å; Q687-E760 PolarHBondContact NE2-OE2 2.83Å
688A87.5Confident88.3Confident0 Ų039.1 Ų39.10%021%0.208CC..Hα-helixtrans-65.3-34.4176.500000113L679 L680 L684 I685 Y686 N692 L704L679-A688 HydrophobicContact CB-CB 3.97Å; L679-A688 HydrophobicContact CD1-CB 4.25Å; L680-A688 HydrophobicContact CD2-CB 4.08Å; L680-A688 HydrophobicContact CG-CB 4.31Å; L684-A688 PolarHBondContact O-N 3.24Å; L684-A688 VanDerWaalsContact O-N 3.16Å; I685-A688 PolarHBondContact O-N 3.25Å; Y686-A688 VanDerWaalsContact C-N 3.31Å; Y686-A688 PolarHBondContact O-N 3.45Å; A688-N692 PolarHBondContact O-N 3.17Å; A688-N692 PolarHBondContact O-ND2 2.91Å; A688-L704 HydrophobicContact CB-CD1 4.49Å
689I88.5Confident88.3Confident0 Ų041.8 Ų41.80%022%0.221CC..Hα-helixtrans-70.6-49.3174.2-66.9166.9000110I685 Y686 Q687 M691 N692 I693 A701 L704 A705 H711 V715I685-I689 HydrophobicContact CG2-CD1 3.96Å; I685-I689 HydrophobicContact CG2-CG1 4.49Å; I685-I689 WeakPolarHBondContact O-CG1 3.46Å; I685-I689 PolarHBondContact O-N 2.77Å; Y686-I689 WeakPolarHBondContact O-CB 3.08Å; Y686-I689 PolarHBondContact O-N 3.49Å; Y686-I689 VanDerWaalsContact O-N 3.12Å; Q687-I689 VanDerWaalsContact C-N 3.32Å; Q687-I689 PolarHBondContact O-N 3.1Å; I689-M691 VanDerWaalsContact C-N 3.32Å; I689-M691 PolarHBondContact O-N 2.93Å; I689-N692 PolarHBondContact O-N 3.25Å; I689-N692 VanDerWaalsContact O-N 3.12Å; I689-I693 HydrophobicContact CG2-CD1 3.94Å; I689-I693 HydrophobicContact CG2-CG1 4.47Å; I689-I693 WeakPolarHBondContact O-CG1 3.42Å; I689-I693 PolarHBondContact O-N 2.92Å; I689-A701 HydrophobicContact CG2-CB 4.41Å; I689-L704 HydrophobicContact CG1-CB 3.98Å; I689-A705 HydrophobicContact CD1-CB 3.97Å; I689-H711 HydrophobicContact CD1-CB 4.03Å; I689-V715 HydrophobicContact CG2-CG2 3.49Å; I689-V715 VanDerWaalsContact CG2-CG2 3.49Å
690Q88.2Confident88.3Confident27 Ų2746.5 Ų46.513%0.12624%0.239CC..Hα-helixtrans-58.2-45.2179.3-17560.333.900111.1Y686 Q687 N692 I693 D694Y686-Q690 HydrophobicContact CE1-CB 4.46Å; Y686-Q690 WeakPolarHBondContact O-CB 3.33Å; Y686-Q690 PolarHBondContact O-N 2.91Å; Y686-Q690 PolarHBondContact OH-OE1 3.35Å; Q687-Q690 PolarHBondContact O-N 2.87Å; Q690-N692 VanDerWaalsContact C-N 3.31Å; Q690-N692 PolarHBondContact O-N 3.17Å; Q690-I693 WeakPolarHBondContact O-CA 3.5Å; Q690-I693 WeakPolarHBondContact O-CB 3.33Å; Q690-I693 PolarHBondContact O-N 2.97Å; Q690-D694 PolarHBondContact NE2-OD1 3.05Å; Q690-D694 PolarHBondContact NE2-OD2 2.79Å; Q690-D694 VanDerWaalsContact O-CG 3.29Å; Q690-D694 PolarHBondContact O-N 2.99Å
691M89.1Confident88.3Confident5 Ų544.2 Ų44.23%0.02523%0.226CC..Hα-helixtrans-54.2-45.8174.5-172.4-16876.600112.4M667 V672 A675 E676 L679 Q687 I689 D694 L695M667-M691 HydrophobicContact CE-CG 3.55Å; M667-M691 HydrophobicContact CE-SD 4.47Å; M667-M691 HydrophobicContact CG-CG 4.14Å; M667-M691 HydrophobicContact CG-SD 3.82Å; M667-M691 HydrophobicContact SD-CG 3.29Å; M667-M691 WeakPolarHBondContact SD-CG 3.35Å; M667-M691 HydrophobicContact SD-SD 3.58Å; V672-M691 HydrophobicContact CG1-CE 4.01Å; A675-M691 HydrophobicContact CB-SD 3.73Å; E676-M691 HydrophobicContact CB-CE 3.72Å; E676-M691 HydrophobicContact CG-CE 4.36Å; L679-M691 HydrophobicContact CD1-SD 4.02Å; Q687-M691 WeakPolarHBondContact O-CB 3.49Å; Q687-M691 PolarHBondContact O-N 3.37Å; I689-M691 VanDerWaalsContact C-N 3.32Å; I689-M691 PolarHBondContact O-N 2.93Å; M691-D694 PolarHBondContact O-N 3.41Å; M691-L695 HydrophobicContact CG-CD1 4.41Å; M691-L695 VanDerWaalsContact O-CG 3.32Å; M691-L695 WeakPolarHBondContact O-CG 3.48Å; M691-L695 PolarHBondContact O-N 2.89Å; M691-L695 VanDerWaalsContact O-N 3.09Å
692N90Very high88.3Confident2 Ų236.5 Ų36.51%0.01119%0.191CC..Hα-helixtrans-71.8-28.6178-84.1-73.5000112.8E676 A688 I689 Q690 F696 N697 A701E676-N692 PolarHBondContact OE2-ND2 2.87Å; E676-N692 VanDerWaalsContact OE2-ND2 3.16Å; A688-N692 PolarHBondContact O-N 3.17Å; A688-N692 PolarHBondContact O-ND2 2.91Å; I689-N692 PolarHBondContact O-N 3.25Å; I689-N692 VanDerWaalsContact O-N 3.12Å; Q690-N692 VanDerWaalsContact C-N 3.31Å; Q690-N692 PolarHBondContact O-N 3.17Å; N692-F696 PolarHBondContact O-N 3.18Å; N692-N697 HydrophobicContact CB-CB 4.24Å; N692-N697 CarbonylContact O-C 3.58Å; N692-N697 WeakPolarHBondContact O-CA 3.37Å; N692-N697 PolarHBondContact O-N 3.09Å; N692-N697 WeakPolarHBondContact OD1-CB 3.01Å; N692-A701 HydrophobicContact CB-CB 3.82Å
693I89.6Confident88.5Confident5 Ų539 Ų393%0.02620%0.198CC..Hα-helixtrans-65.9-48.2171.5-70.7169.4000110I689 Q690 L695 F696 W698 A701 V715 Y718I689-I693 HydrophobicContact CG2-CD1 3.94Å; I689-I693 HydrophobicContact CG2-CG1 4.47Å; I689-I693 WeakPolarHBondContact O-CG1 3.42Å; I689-I693 PolarHBondContact O-N 2.92Å; Q690-I693 WeakPolarHBondContact O-CA 3.5Å; Q690-I693 WeakPolarHBondContact O-CB 3.33Å; Q690-I693 PolarHBondContact O-N 2.97Å; I693-L695 VanDerWaalsContact C-N 3.27Å; I693-L695 PolarHBondContact O-N 2.82Å; I693-F696 WeakPolarHBondContact O-CA 3.48Å; I693-F696 PolarHBondContact O-N 2.67Å; I693-W698 HydrophobicContact CB-CZ3 4.34Å; I693-W698 HydrophobicContact CG1-CZ3 4.19Å; I693-W698 HydrophobicContact CG2-CH2 3.89Å; I693-W698 HydrophobicContact CG2-CZ3 3.74Å; I693-A701 HydrophobicContact CG1-CB 3.97Å; I693-V715 HydrophobicContact CD1-CG2 4.05Å; I693-V715 HydrophobicContact CG1-CG2 4.5Å; I693-Y718 HydrophobicContact CD1-CD2 4.04Å; I693-Y718 HydrophobicContact CD1-CG 4.5Å; I693-Y718 HydrophobicContact CG2-CD1 4.4Å; I693-Y718 HydrophobicContact CG2-CD2 4.48Å; I693-Y718 HydrophobicContact CG2-CG 4.03Å
694D87.4Confident88.7Confident89 Ų8937.1 Ų37.148%0.47618%0.177SC..Hα-helixtrans-65.1-32.2-177.8-64.2-24.9000112Q690 M691 F696Q690-D694 PolarHBondContact NE2-OD1 3.05Å; Q690-D694 PolarHBondContact NE2-OD2 2.79Å; Q690-D694 VanDerWaalsContact O-CG 3.29Å; Q690-D694 PolarHBondContact O-N 2.99Å; M691-D694 PolarHBondContact O-N 3.41Å; D694-F696 VanDerWaalsContact C-N 3.25Å; D694-F696 PolarHBondContact O-N 2.81Å
695L87.3Confident88.7Confident64 Ų6436.2 Ų36.234%0.33517%0.173SC..THydrogen-bonded Turntrans-81.22.7172.3-66.9175.1000114.2M667 V672 M691 I693 N697M667-L695 HydrophobicContact SD-CD1 3.76Å; M667-L695 HydrophobicContact SD-CD2 4.41Å; M667-L695 HydrophobicContact SD-CG 4.26Å; V672-L695 HydrophobicContact CB-CD1 4.15Å; V672-L695 HydrophobicContact CG1-CD1 3.3Å; V672-L695 HydrophobicContact CG2-CD1 3.69Å; M691-L695 HydrophobicContact CG-CD1 4.41Å; M691-L695 VanDerWaalsContact O-CG 3.32Å; M691-L695 WeakPolarHBondContact O-CG 3.48Å; M691-L695 PolarHBondContact O-N 2.89Å; M691-L695 VanDerWaalsContact O-N 3.09Å; I693-L695 VanDerWaalsContact C-N 3.27Å; I693-L695 PolarHBondContact O-N 2.82Å; L695-N697 PolarHBondContact O-N 2.93Å
696F90.1Very high88.8Confident123 Ų12336.5 Ų36.554%0.53918%0.177SC..THydrogen-bonded Turntrans59.720.6-175.5-50.9-79.3000114.7N692 I693 D694 W698 F722N692-F696 PolarHBondContact O-N 3.18Å; I693-F696 WeakPolarHBondContact O-CA 3.48Å; I693-F696 PolarHBondContact O-N 2.67Å; D694-F696 VanDerWaalsContact C-N 3.25Å; D694-F696 PolarHBondContact O-N 2.81Å; F696-W698 AromaticContact CD1-CZ2 3.89Å; F696-W698 HydrophobicContact CD1-CZ2 3.89Å; F696-W698 PolarHBondContact O-N 3.48Å; F696-F722 AromaticContact CD1-CD2 3.92Å; F696-F722 HydrophobicContact CD1-CD2 3.92Å; F696-F722 AromaticContact CD1-CE2 3.5Å; F696-F722 HydrophobicContact CD1-CE2 3.5Å; F696-F722 HydrophobicContact CD1-CZ 4.05Å; F696-F722 AromaticContact CE1-CD2 3.61Å; F696-F722 HydrophobicContact CE1-CD2 3.61Å; F696-F722 AromaticContact CE1-CE2 3.3Å; F696-F722 HydrophobicContact CE1-CE2 3.3Å; F696-F722 HydrophobicContact CE1-CZ 4.26Å; F696-F722 HydrophobicContact CZ-CE2 4.28Å
697N89.8Confident88.9Confident78 Ų7843.3 Ų43.342%0.41721%0.206SC..  trans-82.157173.8-77.6-19.9000111.3N692 L695 N699 R700 A701N692-N697 HydrophobicContact CB-CB 4.24Å; N692-N697 CarbonylContact O-C 3.58Å; N692-N697 WeakPolarHBondContact O-CA 3.37Å; N692-N697 PolarHBondContact O-N 3.09Å; N692-N697 WeakPolarHBondContact OD1-CB 3.01Å; L695-N697 PolarHBondContact O-N 2.93Å; N697-N699 VanDerWaalsContact C-N 3.32Å; N697-N699 PolarHBondContact O-N 2.93Å; N697-R700 HydrophobicContact CB-CB 4.36Å; N697-R700 PolarHBondContact O-N 2.91Å; N697-A701 PolarHBondContact O-N 2.94Å
698W89.4Confident89Confident21 Ų2145.7 Ų45.78%0.0822%0.217CC..Hα-helixtrans-54-42.9-172.3-58.7104000114.1I693 F696 R700 A701 L702 R719 F722 F735I693-W698 HydrophobicContact CB-CZ3 4.34Å; I693-W698 HydrophobicContact CG1-CZ3 4.19Å; I693-W698 HydrophobicContact CG2-CH2 3.89Å; I693-W698 HydrophobicContact CG2-CZ3 3.74Å; F696-W698 AromaticContact CD1-CZ2 3.89Å; F696-W698 HydrophobicContact CD1-CZ2 3.89Å; F696-W698 PolarHBondContact O-N 3.48Å; W698-R700 VanDerWaalsContact C-N 3.32Å; W698-R700 PolarHBondContact O-N 2.98Å; W698-A701 PolarHBondContact O-N 2.87Å; W698-L702 WeakPolarHBondContact O-CB 3.43Å; W698-L702 PolarHBondContact O-N 3.24Å; W698-R719 HydrophobicContact CD2-CB 4.17Å; W698-R719 HydrophobicContact CD2-CG 4.14Å; W698-R719 HydrophobicContact CE3-CB 3.67Å; W698-R719 HydrophobicContact CE3-CG 4.14Å; W698-R719 HydrophobicContact CG-CG 4.5Å; W698-R719 HydrophobicContact CH2-CB 4.34Å; W698-R719 HydrophobicContact CZ3-CB 3.76Å; W698-F722 HydrophobicContact CH2-CB 4.08Å; W698-F722 HydrophobicContact CZ2-CB 3.73Å; W698-F722 HydrophobicContact CZ2-CD1 4.11Å; W698-F722 HydrophobicContact CZ2-CD2 4.08Å; W698-F722 AromaticContact CZ2-CG 3.72Å; W698-F722 HydrophobicContact CZ2-CG 3.72Å; W698-F735 HydrophobicContact CB-CZ 3.87Å; W698-F735 WeakPolarHBondContact O-CZ 3.39Å
699N90Very high89Confident83 Ų8354.7 Ų54.744%0.44426%0.257SS..Hα-helixtrans-61-43.1-179.8-70.1-34.4000111.3N697 L702 E703 N732 F735N697-N699 VanDerWaalsContact C-N 3.32Å; N697-N699 PolarHBondContact O-N 2.93Å; N699-L702 PolarHBondContact O-N 3.01Å; N699-E703 WeakPolarHBondContact O-CG 3.27Å; N699-E703 PolarHBondContact O-N 2.96Å; N699-N732 PolarHBondContact OD1-ND2 3.23Å; N699-F735 WeakPolarHBondContact OD1-CE2 3.29Å
700R89.6Confident88.8Confident102 Ų10257.2 Ų57.239%0.38527%0.272SS..Hα-helixtrans-70.5-41.5180-175.657.7178.2-178.3-1.4111.3E676 N697 W698 L702 E703 L704E676-R700 IonicContact OE1-CZ 3.77Å; E676-R700 VanDerWaalsContact OE1-CZ 3.29Å; E676-R700 IonicContact OE1-NE 3.44Å; E676-R700 PolarHBondContact OE1-NE 3.12Å; E676-R700 IonicContact OE1-NH2 2.87Å; E676-R700 PolarHBondContact OE1-NH2 2.95Å; E676-R700 IonicContact OE2-NE 3.09Å; N697-R700 HydrophobicContact CB-CB 4.36Å; N697-R700 PolarHBondContact O-N 2.91Å; W698-R700 VanDerWaalsContact C-N 3.32Å; W698-R700 PolarHBondContact O-N 2.98Å; R700-L702 VanDerWaalsContact C-N 3.32Å; R700-L702 PolarHBondContact O-N 2.78Å; R700-E703 IonicContact NH1-OE2 3.42Å; R700-E703 PolarHBondContact O-N 2.95Å; R700-L704 HydrophobicContact CG-CD1 4.38Å; R700-L704 WeakPolarHBondContact O-CG 3.28Å; R700-L704 PolarHBondContact O-N 3.12Å
701A88.9Confident88.5Confident0 Ų057 Ų570%027%0.271CS..Hα-helixtrans-56.9-45.5173.900000111.7I689 N692 I693 N697 W698 L704 A705 V715I689-A701 HydrophobicContact CG2-CB 4.41Å; N692-A701 HydrophobicContact CB-CB 3.82Å; I693-A701 HydrophobicContact CG1-CB 3.97Å; N697-A701 PolarHBondContact O-N 2.94Å; W698-A701 PolarHBondContact O-N 2.87Å; A701-L704 PolarHBondContact O-N 3.2Å; A701-A705 WeakPolarHBondContact O-CB 3.22Å; A701-A705 PolarHBondContact O-N 2.99Å; A701-V715 HydrophobicContact CB-CG1 4.09Å; A701-V715 HydrophobicContact CB-CG2 4.15Å
702L88.8Confident88.3Confident5 Ų558 Ų583%0.02628%0.277CS..Hα-helixtrans-65.3-42.5176.9-175.968000112W698 N699 R700 L704 A705 V706 V712 V715 R734 F735 Y738W698-L702 WeakPolarHBondContact O-CB 3.43Å; W698-L702 PolarHBondContact O-N 3.24Å; N699-L702 PolarHBondContact O-N 3.01Å; R700-L702 VanDerWaalsContact C-N 3.32Å; R700-L702 PolarHBondContact O-N 2.78Å; L702-L704 PolarHBondContact O-N 3.2Å; L702-A705 PolarHBondContact O-N 3.03Å; L702-V706 HydrophobicContact CD1-CG2 4.24Å; L702-V706 HydrophobicContact CG-CG2 4.35Å; L702-V706 WeakPolarHBondContact O-CB 3.13Å; L702-V706 VanDerWaalsContact O-CG2 3.3Å; L702-V706 WeakPolarHBondContact O-CG2 3.38Å; L702-V706 PolarHBondContact O-N 3.43Å; L702-V712 HydrophobicContact CD1-CG1 4.12Å; L702-V715 HydrophobicContact CB-CG1 4.17Å; L702-V715 HydrophobicContact CD1-CG1 4.49Å; L702-R734 HydrophobicContact CD2-CB 4.45Å; L702-F735 HydrophobicContact CB-CE1 3.97Å; L702-F735 HydrophobicContact CB-CZ 3.88Å; L702-F735 HydrophobicContact CD1-CE1 4.38Å; L702-F735 HydrophobicContact CD2-CD1 3.94Å; L702-F735 HydrophobicContact CD2-CD2 4.2Å; L702-F735 HydrophobicContact CD2-CE1 3.72Å; L702-F735 HydrophobicContact CD2-CE2 3.99Å; L702-F735 HydrophobicContact CD2-CG 4.19Å; L702-F735 HydrophobicContact CD2-CZ 3.74Å; L702-F735 HydrophobicContact CG-CE1 4.23Å; L702-F735 HydrophobicContact CG-CZ 4.39Å; L702-Y738 HydrophobicContact CD1-CD2 4.49Å; L702-Y738 HydrophobicContact CD2-CD2 4.05Å; L702-Y738 HydrophobicContact CD2-CE2 4.48Å
703E90.1Very high88.2Confident78 Ų7858.6 Ų58.636%0.36428%0.281SS..Hα-helixtrans-60.5-43.7176.8-78175.8-179.300112.3N699 R700 K707 R734N699-E703 WeakPolarHBondContact O-CG 3.27Å; N699-E703 PolarHBondContact O-N 2.96Å; R700-E703 IonicContact NH1-OE2 3.42Å; R700-E703 PolarHBondContact O-N 2.95Å; E703-K707 WeakPolarHBondContact O-CB 3.25Å; E703-K707 PolarHBondContact O-N 2.92Å; E703-R734 IonicContact OE1-CZ 3.6Å; E703-R734 IonicContact OE1-NH1 2.97Å; E703-R734 PolarHBondContact OE1-NH1 3.44Å
704L89.3Confident88Confident3 Ų358.4 Ų58.42%0.01628%0.279CS..Hα-helixtrans-63.2-46.5176-71173.6000111.3E676 L680 A688 I689 R700 A701 L702 V706 K707 H708E676-L704 HydrophobicContact CG-CD1 4.29Å; L680-L704 HydrophobicContact CD1-CD2 4.11Å; L680-L704 HydrophobicContact CD2-CD2 4.32Å; A688-L704 HydrophobicContact CB-CD1 4.49Å; I689-L704 HydrophobicContact CG1-CB 3.98Å; R700-L704 HydrophobicContact CG-CD1 4.38Å; R700-L704 WeakPolarHBondContact O-CG 3.28Å; R700-L704 PolarHBondContact O-N 3.12Å; A701-L704 PolarHBondContact O-N 3.2Å; L702-L704 PolarHBondContact O-N 3.2Å; L704-V706 PolarHBondContact O-N 3.26Å; L704-K707 PolarHBondContact O-N 3.11Å; L704-H708 PolarHBondContact O-CD2 3.24Å; L704-H708 PolarHBondContact O-N 2.67Å
705A88Confident87.9Confident0 Ų054.1 Ų54.10%026%0.257CS..Hα-helixtrans-58.7-47177.900000112.2I689 A701 L702 K709 T710 V712 V715I689-A705 HydrophobicContact CD1-CB 3.97Å; A701-A705 WeakPolarHBondContact O-CB 3.22Å; A701-A705 PolarHBondContact O-N 2.99Å; L702-A705 PolarHBondContact O-N 3.03Å; A705-K709 WeakPolarHBondContact O-CA 3.07Å; A705-K709 PolarHBondContact O-N 2.89Å; A705-T710 CarbonylContact C-O 3.54Å; A705-T710 WeakPolarHBondContact CA-O 3.34Å; A705-T710 WeakPolarHBondContact CB-O 3.39Å; A705-T710 PolarHBondContact O-N 3.42Å; A705-T710 VanDerWaalsContact O-O 3.08Å; A705-V712 HydrophobicContact CB-CG2 3.89Å; A705-V715 HydrophobicContact CB-CG2 4.07Å
706V88.9Confident87.9Confident48 Ų4851.9 Ų51.929%0.29125%0.245SC..Hα-helixtrans-68-44.1178.3172.60000111.4L702 L704 H708 K709 V712 Y738L702-V706 HydrophobicContact CD1-CG2 4.24Å; L702-V706 HydrophobicContact CG-CG2 4.35Å; L702-V706 WeakPolarHBondContact O-CB 3.13Å; L702-V706 VanDerWaalsContact O-CG2 3.3Å; L702-V706 WeakPolarHBondContact O-CG2 3.38Å; L702-V706 PolarHBondContact O-N 3.43Å; L704-V706 PolarHBondContact O-N 3.26Å; V706-H708 VanDerWaalsContact C-N 3.32Å; V706-H708 PolarHBondContact O-N 2.97Å; V706-K709 PolarHBondContact O-N 2.9Å; V706-K709 VanDerWaalsContact O-N 3.16Å; V706-V712 HydrophobicContact CG2-CG2 4.06Å; V706-Y738 HydrophobicContact CG2-CE1 4.11Å; V706-Y738 HydrophobicContact CG2-CE2 4.29Å
707K90.8Very high87.7Confident158 Ų15846.1 Ų46.169%0.68722%0.22SC*.Hα-helixtrans-60.3-41.7-179.6-178-178.4178.9-174.20112E703 L704E703-K707 WeakPolarHBondContact O-CB 3.25Å; E703-K707 PolarHBondContact O-N 2.92Å; L704-K707 PolarHBondContact O-N 3.11Å
708H88.4Confident87.6Confident69 Ų6945.7 Ų45.732%0.31921%0.213SC..Hα-helixtrans-91.2-1.7179.3-70.3-80.6000113.5I685 L704 V706 T710I685-H708 HydrophobicContact CD1-CB 4.13Å; I685-H708 WeakPolarHBondContact CD1-ND1 3.44Å; I685-H708 HydrophobicContact CG2-CB 3.85Å; L704-H708 PolarHBondContact O-CD2 3.24Å; L704-H708 PolarHBondContact O-N 2.67Å; V706-H708 VanDerWaalsContact C-N 3.32Å; V706-H708 PolarHBondContact O-N 2.97Å; H708-T710 VanDerWaalsContact C-N 3.26Å; H708-T710 PolarHBondContact O-N 2.9Å
709K86.9Confident87.5Confident189 Ų18946.1 Ų46.182%0.82222%0.215SC*.THydrogen-bonded Turntrans55.637.7-178.6-56.4179.4179.3179.20113A705 V706A705-K709 WeakPolarHBondContact O-CA 3.07Å; A705-K709 PolarHBondContact O-N 2.89Å; V706-K709 PolarHBondContact O-N 2.9Å; V706-K709 VanDerWaalsContact O-N 3.16Å
710T84.3Confident87.3Confident53 Ų5343.6 Ų43.633%0.32521%0.208SC..  trans-136.6149.9-177.752.90000110.9A705 H708 V712A705-T710 CarbonylContact C-O 3.54Å; A705-T710 WeakPolarHBondContact CA-O 3.34Å; A705-T710 WeakPolarHBondContact CB-O 3.39Å; A705-T710 PolarHBondContact O-N 3.42Å; A705-T710 VanDerWaalsContact O-O 3.08Å; H708-T710 VanDerWaalsContact C-N 3.26Å; H708-T710 PolarHBondContact O-N 2.9Å; T710-V712 VanDerWaalsContact C-N 3.27Å; T710-V712 PolarHBondContact O-N 2.99Å
711H82.9Confident87.2Confident22 Ų2244.3 Ų44.310%0.10221%0.214CC..  trans53.929169.7-61.5-73.4000116.9Y686 I689 D713 T714 V715Y686-H711 AromaticContact CD2-CD2 3.89Å; Y686-H711 AromaticContact CD2-CE1 3.69Å; Y686-H711 AromaticContact CD2-CG 3.92Å; Y686-H711 AromaticContact CD2-ND1 3.8Å; Y686-H711 AromaticContact CD2-NE2 3.78Å; I689-H711 HydrophobicContact CD1-CB 4.03Å; H711-D713 VanDerWaalsContact C-N 3.34Å; H711-D713 WeakPolarHBondContact CA-OD1 3.45Å; H711-T714 HydrophobicContact CB-CG2 4Å; H711-T714 WeakPolarHBondContact CB-OG1 3.49Å; H711-T714 PolarHBondContact O-N 2.8Å; H711-T714 PolarHBondContact O-OG1 2.66Å; H711-V715 WeakPolarHBondContact O-CG2 3.15Å; H711-V715 PolarHBondContact O-N 3.33Å
712V84.8Confident87.1Confident25 Ų2547.4 Ų47.415%0.15223%0.228CC..Hα-helixtrans-67.5-38.4174.8179.20000111L702 A705 V706 T710 T714 V715 L716 V742L702-V712 HydrophobicContact CD1-CG1 4.12Å; A705-V712 HydrophobicContact CB-CG2 3.89Å; V706-V712 HydrophobicContact CG2-CG2 4.06Å; T710-V712 VanDerWaalsContact C-N 3.27Å; T710-V712 PolarHBondContact O-N 2.99Å; V712-T714 VanDerWaalsContact C-N 3.33Å; V712-T714 PolarHBondContact O-N 3.44Å; V712-V715 PolarHBondContact O-N 2.8Å; V712-L716 HydrophobicContact CG1-CD1 4.08Å; V712-L716 VanDerWaalsContact O-CG 3.3Å; V712-L716 WeakPolarHBondContact O-CG 3.34Å; V712-L716 PolarHBondContact O-N 2.76Å; V712-L716 VanDerWaalsContact O-N 3.17Å; V712-V742 HydrophobicContact CG1-CG2 4.5Å
713D85.9Confident87.1Confident16 Ų1648.4 Ų48.49%0.08623%0.233CC..Hα-helixtrans-58-41.7172.851.9-13000112.2H711 L716 A717 V742 I749 K752H711-D713 VanDerWaalsContact C-N 3.34Å; H711-D713 WeakPolarHBondContact CA-OD1 3.45Å; D713-L716 PolarHBondContact O-N 3.42Å; D713-A717 WeakPolarHBondContact O-CB 3.47Å; D713-A717 PolarHBondContact O-N 2.83Å; D713-V742 HydrophobicContact CB-CG1 3.68Å; D713-I749 HydrophobicContact CB-CD1 4.32Å; D713-I749 HydrophobicContact CB-CG1 4.38Å; D713-K752 IonicContact OD2-NZ 3.13Å; D713-K752 PolarHBondContact OD2-NZ 3.5Å
714T85.4Confident87Confident0 Ų052.1 Ų52.10%025%0.25CC..Hα-helixtrans-67-45.2-179.975.20000111.9H711 V712 L716 A717 Y718 I749H711-T714 HydrophobicContact CB-CG2 4Å; H711-T714 WeakPolarHBondContact CB-OG1 3.49Å; H711-T714 PolarHBondContact O-N 2.8Å; H711-T714 PolarHBondContact O-OG1 2.66Å; V712-T714 VanDerWaalsContact C-N 3.33Å; V712-T714 PolarHBondContact O-N 3.44Å; T714-L716 VanDerWaalsContact C-N 3.31Å; T714-L716 PolarHBondContact O-N 3.19Å; T714-A717 PolarHBondContact O-N 3.19Å; T714-Y718 VanDerWaalsContact O-CD2 3.24Å; T714-Y718 WeakPolarHBondContact O-CD2 3.39Å; T714-Y718 PolarHBondContact O-N 2.98Å; T714-I749 HydrophobicContact CG2-CB 4.4Å; T714-I749 HydrophobicContact CG2-CG1 4.18Å; T714-I749 HydrophobicContact CG2-CG2 3.64Å
715V86.4Confident87Confident0 Ų057.1 Ų57.10%028%0.281CS..Hα-helixtrans-61-42.8178.6179.50000110.7I689 I693 A701 L702 A705 H711 V712 R719 F735I689-V715 HydrophobicContact CG2-CG2 3.49Å; I689-V715 VanDerWaalsContact CG2-CG2 3.49Å; I693-V715 HydrophobicContact CD1-CG2 4.05Å; I693-V715 HydrophobicContact CG1-CG2 4.5Å; A701-V715 HydrophobicContact CB-CG1 4.09Å; A701-V715 HydrophobicContact CB-CG2 4.15Å; L702-V715 HydrophobicContact CB-CG1 4.17Å; L702-V715 HydrophobicContact CD1-CG1 4.49Å; A705-V715 HydrophobicContact CB-CG2 4.07Å; H711-V715 WeakPolarHBondContact O-CG2 3.15Å; H711-V715 PolarHBondContact O-N 3.33Å; V712-V715 PolarHBondContact O-N 2.8Å; V715-R719 VanDerWaalsContact O-CB 3.26Å; V715-R719 WeakPolarHBondContact O-CB 3.3Å; V715-R719 PolarHBondContact O-N 2.7Å; V715-F735 HydrophobicContact CG1-CE1 4.19Å
716L86.7Confident86.9Confident16 Ų1663.3 Ų63.38%0.08431%0.308CS..Hα-helixtrans-63.8-42.8176.7-69.9169.3000111.6V712 D713 T714 R719 G720 F735 V742 V744V712-L716 HydrophobicContact CG1-CD1 4.08Å; V712-L716 VanDerWaalsContact O-CG 3.3Å; V712-L716 WeakPolarHBondContact O-CG 3.34Å; V712-L716 PolarHBondContact O-N 2.76Å; V712-L716 VanDerWaalsContact O-N 3.17Å; D713-L716 PolarHBondContact O-N 3.42Å; T714-L716 VanDerWaalsContact C-N 3.31Å; T714-L716 PolarHBondContact O-N 3.19Å; L716-R719 PolarHBondContact O-N 2.83Å; L716-G720 PolarHBondContact O-N 2.79Å; L716-F735 HydrophobicContact CD2-CB 4.49Å; L716-F735 HydrophobicContact CD2-CD1 3.9Å; L716-V742 HydrophobicContact CD1-CB 4.14Å; L716-V742 HydrophobicContact CD1-CG1 4.41Å; L716-V744 HydrophobicContact CB-CG2 4.26Å
717A86.2Confident86.8Confident3 Ų364.5 Ų64.53%0.02533%0.33CS..Hα-helixtrans-62.6-50.7178.800000112.5D713 T714 R719 G720 K721 V744 W746 I749D713-A717 WeakPolarHBondContact O-CB 3.47Å; D713-A717 PolarHBondContact O-N 2.83Å; T714-A717 PolarHBondContact O-N 3.19Å; A717-R719 VanDerWaalsContact C-N 3.32Å; A717-R719 PolarHBondContact O-N 3.25Å; A717-G720 PolarHBondContact O-N 3.21Å; A717-K721 WeakPolarHBondContact O-CB 3.26Å; A717-K721 PolarHBondContact O-N 2.88Å; A717-V744 HydrophobicContact CB-CG1 3.47Å; A717-V744 VanDerWaalsContact CB-CG1 3.47Å; A717-W746 HydrophobicContact CB-CE3 4.42Å; A717-W746 HydrophobicContact CB-CH2 3.63Å; A717-W746 HydrophobicContact CB-CZ2 3.77Å; A717-W746 HydrophobicContact CB-CZ3 3.97Å; A717-W746 WeakPolarHBondContact O-CH2 3.2Å; A717-W746 WeakPolarHBondContact O-CZ2 3.37Å; A717-I749 HydrophobicContact CB-CD1 3.58Å
718Y87.9Confident86.6Confident68 Ų6865.9 Ų65.927%0.26733%0.331SS..Hα-helixtrans-63.4-38.5179-82.6-73.5000112.1I693 T714 K721 F722 I753I693-Y718 HydrophobicContact CD1-CD2 4.04Å; I693-Y718 HydrophobicContact CD1-CG 4.5Å; I693-Y718 HydrophobicContact CG2-CD1 4.4Å; I693-Y718 HydrophobicContact CG2-CD2 4.48Å; I693-Y718 HydrophobicContact CG2-CG 4.03Å; T714-Y718 VanDerWaalsContact O-CD2 3.24Å; T714-Y718 WeakPolarHBondContact O-CD2 3.39Å; T714-Y718 PolarHBondContact O-N 2.98Å; Y718-K721 PolarHBondContact O-N 3.49Å; Y718-F722 WeakPolarHBondContact O-CB 3.14Å; Y718-F722 PolarHBondContact O-N 2.79Å; Y718-I753 HydrophobicContact CE2-CD1 4.48Å
719R87.4Confident86.3Confident31 Ų3171.6 Ų71.612%0.11736%0.355CS..Hα-helixtrans-68.2-42.2176.1-173.8172.5170.489.62.8112.2W698 V715 L716 A717 K721 F722 L723 E730W698-R719 HydrophobicContact CD2-CB 4.17Å; W698-R719 HydrophobicContact CD2-CG 4.14Å; W698-R719 HydrophobicContact CE3-CB 3.67Å; W698-R719 HydrophobicContact CE3-CG 4.14Å; W698-R719 HydrophobicContact CG-CG 4.5Å; W698-R719 HydrophobicContact CH2-CB 4.34Å; W698-R719 HydrophobicContact CZ3-CB 3.76Å; V715-R719 VanDerWaalsContact O-CB 3.26Å; V715-R719 WeakPolarHBondContact O-CB 3.3Å; V715-R719 PolarHBondContact O-N 2.7Å; L716-R719 PolarHBondContact O-N 2.83Å; A717-R719 VanDerWaalsContact C-N 3.32Å; A717-R719 PolarHBondContact O-N 3.25Å; R719-K721 VanDerWaalsContact C-N 3.34Å; R719-F722 WeakPolarHBondContact O-CB 3.25Å; R719-F722 PolarHBondContact O-N 2.8Å; R719-L723 HydrophobicContact CG-CD1 4.29Å; R719-L723 WeakPolarHBondContact O-CG 3.5Å; R719-L723 PolarHBondContact O-N 2.71Å; R719-E730 WeakPolarHBondContact CD-OE2 3.43Å; R719-E730 IonicContact CZ-OE1 3.68Å; R719-E730 IonicContact CZ-OE2 3.85Å; R719-E730 IonicContact NE-OE1 2.75Å; R719-E730 IonicContact NE-OE2 2.99Å; R719-E730 PolarHBondContact NE-OE2 2.95Å; R719-E730 IonicContact NH2-OE1 3.69Å; R719-E730 PolarHBondContact NH2-OE1 2.86Å; R719-E730 IonicContact NH2-OE2 3.47Å; R719-E730 PolarHBondContact NH2-OE2 3.12Å
720G86.7Confident86.1Confident29 Ų2965 Ų6530%0.29933%0.327SS..Hα-helixtrans-59.5-45.9174.500000111.6L716 A717 F722 L723 Q724L716-G720 PolarHBondContact O-N 2.79Å; A717-G720 PolarHBondContact O-N 3.21Å; G720-F722 PolarHBondContact O-N 3.27Å; G720-L723 PolarHBondContact O-N 3.15Å; G720-Q724 WeakPolarHBondContact O-CB 3.46Å; G720-Q724 WeakPolarHBondContact O-CG 3.31Å; G720-Q724 PolarHBondContact O-N 3.11Å
721K86.9Confident86Confident118 Ų11868.2 Ų68.251%0.51335%0.347SS..Hα-helixtrans-60.3-45.5174.8-171.2176.1-178.1177.90111.7A717 Y718 R719 L723 Q724 T725 W746A717-K721 WeakPolarHBondContact O-CB 3.26Å; A717-K721 PolarHBondContact O-N 2.88Å; Y718-K721 PolarHBondContact O-N 3.49Å; R719-K721 VanDerWaalsContact C-N 3.34Å; K721-L723 PolarHBondContact O-N 2.79Å; K721-Q724 PolarHBondContact O-N 3.38Å; K721-T725 PolarHBondContact O-N 3.04Å; K721-T725 VanDerWaalsContact O-N 3.08Å; K721-T725 PolarHBondContact O-OG1 2.91Å; K721-W746 HydrophobicContact CB-CH2 4.11Å; K721-W746 HydrophobicContact CB-CZ2 4.05Å; K721-W746 HydrophobicContact CD-CH2 3.95Å; K721-W746 HydrophobicContact CD-CZ2 4.24Å
722F87.3Confident86Confident65 Ų6569.5 Ų69.529%0.28536%0.355SS..Hα-helixtrans-58.1-49175.8177.4-96.5000111.7F696 W698 Y718 R719 G720 Q724 T725 F726F696-F722 AromaticContact CD1-CD2 3.92Å; F696-F722 HydrophobicContact CD1-CD2 3.92Å; F696-F722 AromaticContact CD1-CE2 3.5Å; F696-F722 HydrophobicContact CD1-CE2 3.5Å; F696-F722 HydrophobicContact CD1-CZ 4.05Å; F696-F722 AromaticContact CE1-CD2 3.61Å; F696-F722 HydrophobicContact CE1-CD2 3.61Å; F696-F722 AromaticContact CE1-CE2 3.3Å; F696-F722 HydrophobicContact CE1-CE2 3.3Å; F696-F722 HydrophobicContact CE1-CZ 4.26Å; F696-F722 HydrophobicContact CZ-CE2 4.28Å; W698-F722 HydrophobicContact CH2-CB 4.08Å; W698-F722 HydrophobicContact CZ2-CB 3.73Å; W698-F722 HydrophobicContact CZ2-CD1 4.11Å; W698-F722 HydrophobicContact CZ2-CD2 4.08Å; W698-F722 AromaticContact CZ2-CG 3.72Å; W698-F722 HydrophobicContact CZ2-CG 3.72Å; Y718-F722 WeakPolarHBondContact O-CB 3.14Å; Y718-F722 PolarHBondContact O-N 2.79Å; R719-F722 WeakPolarHBondContact O-CB 3.25Å; R719-F722 PolarHBondContact O-N 2.8Å; G720-F722 PolarHBondContact O-N 3.27Å; F722-Q724 PolarHBondContact O-N 2.9Å; F722-T725 WeakPolarHBondContact O-CB 3.38Å; F722-T725 PolarHBondContact O-N 3.08Å; F722-F726 HydrophobicContact CD1-CD2 4.41Å; F722-F726 HydrophobicContact CD2-CD2 4.42Å; F722-F726 AromaticContact CD2-CE2 3.88Å; F722-F726 HydrophobicContact CD2-CE2 3.88Å; F722-F726 HydrophobicContact CE1-CD2 4.14Å; F722-F726 HydrophobicContact CE1-CE2 4.15Å; F722-F726 HydrophobicContact CE2-CD2 4.17Å; F722-F726 AromaticContact CE2-CE2 3.42Å; F722-F726 HydrophobicContact CE2-CE2 3.42Å; F722-F726 VanDerWaalsContact CE2-CE2 3.42Å; F722-F726 HydrophobicContact CE2-CZ 4.3Å; F722-F726 HydrophobicContact CG-CE2 4.43Å; F722-F726 HydrophobicContact CZ-CD2 4.02Å; F722-F726 AromaticContact CZ-CE2 3.57Å; F722-F726 HydrophobicContact CZ-CE2 3.57Å; F722-F726 HydrophobicContact CZ-CZ 4.45Å; F722-F726 WeakPolarHBondContact O-CD2 3.48Å; F722-F726 PolarHBondContact O-N 2.65Å
723L87.4Confident86Confident26 Ų2676.9 Ų76.914%0.13639%0.385CS..Hα-helixtrans-64.4-37.9179.4-71.8173.6000113R719 G720 K721 F726 G727 R728 E730R719-L723 HydrophobicContact CG-CD1 4.29Å; R719-L723 WeakPolarHBondContact O-CG 3.5Å; R719-L723 PolarHBondContact O-N 2.71Å; G720-L723 PolarHBondContact O-N 3.15Å; K721-L723 PolarHBondContact O-N 2.79Å; L723-F726 CarbonylContact O-C 3.5Å; L723-F726 PolarHBondContact O-N 2.75Å; L723-G727 PolarHBondContact O-N 2.83Å; L723-G727 VanDerWaalsContact O-N 3.07Å; L723-R728 HydrophobicContact CD2-CB 4.2Å; L723-R728 PolarHBondContact O-N 2.89Å; L723-E730 HydrophobicContact CD1-CB 4.02Å; L723-E730 VanDerWaalsContact CD1-OE2 3.28Å; L723-E730 WeakPolarHBondContact CD1-OE2 3.32Å
724Q88.6Confident85.8Confident155 Ų15582.2 Ų82.272%0.72440%0.404SS*.Hα-helixtrans-61.4-42.2174.5-77.2177.52.800112G720 K721 F722 F726 G727G720-Q724 WeakPolarHBondContact O-CB 3.46Å; G720-Q724 WeakPolarHBondContact O-CG 3.31Å; G720-Q724 PolarHBondContact O-N 3.11Å; K721-Q724 PolarHBondContact O-N 3.38Å; F722-Q724 PolarHBondContact O-N 2.9Å; Q724-F726 PolarHBondContact O-N 3.41Å; Q724-G727 PolarHBondContact O-N 2.66Å
725T88.6Confident85.8Confident109 Ų10982.3 Ų82.367%0.66940%0.404SS*.Hα-helixtrans-56.9-31.5175.8-52.80000112.3K721 F722K721-T725 PolarHBondContact O-N 3.04Å; K721-T725 VanDerWaalsContact O-N 3.08Å; K721-T725 PolarHBondContact O-OG1 2.91Å; F722-T725 WeakPolarHBondContact O-CB 3.38Å; F722-T725 PolarHBondContact O-N 3.08Å
726F86.8Confident85.6Confident129 Ų12985.7 Ų85.757%0.56642%0.422SS*.THydrogen-bonded Turntrans-98.65.9177.4-65.7-75.8000114.1F722 L723 Q724 R728F722-F726 HydrophobicContact CD1-CD2 4.41Å; F722-F726 HydrophobicContact CD2-CD2 4.42Å; F722-F726 AromaticContact CD2-CE2 3.88Å; F722-F726 HydrophobicContact CD2-CE2 3.88Å; F722-F726 HydrophobicContact CE1-CD2 4.14Å; F722-F726 HydrophobicContact CE1-CE2 4.15Å; F722-F726 HydrophobicContact CE2-CD2 4.17Å; F722-F726 AromaticContact CE2-CE2 3.42Å; F722-F726 HydrophobicContact CE2-CE2 3.42Å; F722-F726 VanDerWaalsContact CE2-CE2 3.42Å; F722-F726 HydrophobicContact CE2-CZ 4.3Å; F722-F726 HydrophobicContact CG-CE2 4.43Å; F722-F726 HydrophobicContact CZ-CD2 4.02Å; F722-F726 AromaticContact CZ-CE2 3.57Å; F722-F726 HydrophobicContact CZ-CE2 3.57Å; F722-F726 HydrophobicContact CZ-CZ 4.45Å; F722-F726 WeakPolarHBondContact O-CD2 3.48Å; F722-F726 PolarHBondContact O-N 2.65Å; L723-F726 CarbonylContact O-C 3.5Å; L723-F726 PolarHBondContact O-N 2.75Å; Q724-F726 PolarHBondContact O-N 3.41Å; F726-R728 HydrophobicContact CB-CG 4.47Å; F726-R728 PolarHBondContact O-N 3.29Å
727G86.3Confident85.4Confident74 Ų7491.3 Ų91.376%0.76345%0.448SS*.THydrogen-bonded Turntrans63.323.9-179.300000114.5L723 Q724L723-G727 PolarHBondContact O-N 2.83Å; L723-G727 VanDerWaalsContact O-N 3.07Å; Q724-G727 PolarHBondContact O-N 2.66Å
728R87.1Confident85.1Confident186 Ų18695.3 Ų95.370%0.70246%0.463SS*.  trans-104.4151.7-178.1-65.9-173.3-179.2-171.40.6111.3L723 F726L723-R728 HydrophobicContact CD2-CB 4.2Å; L723-R728 PolarHBondContact O-N 2.89Å; F726-R728 HydrophobicContact CB-CG 4.47Å; F726-R728 PolarHBondContact O-N 3.29Å
729K81.4Confident84.5Confident189 Ų18994.8 Ų94.882%0.82247%0.469SS*.  trans-97.7154.2171.8-64.1-171.3178.5-176.90110.3T731K729-T731 PolarHBondContact O-N 2.83Å
730E82.4Confident83.8Confident50 Ų50101.4 Ų101.423%0.23450%0.501CS..  trans-65.2129.2177.8-177.260.8-107.100110.8R719 L723 N732 F735 L736R719-E730 WeakPolarHBondContact CD-OE2 3.43Å; R719-E730 IonicContact CZ-OE1 3.68Å; R719-E730 IonicContact CZ-OE2 3.85Å; R719-E730 IonicContact NE-OE1 2.75Å; R719-E730 IonicContact NE-OE2 2.99Å; R719-E730 PolarHBondContact NE-OE2 2.95Å; R719-E730 IonicContact NH2-OE1 3.69Å; R719-E730 PolarHBondContact NH2-OE1 2.86Å; R719-E730 IonicContact NH2-OE2 3.47Å; R719-E730 PolarHBondContact NH2-OE2 3.12Å; L723-E730 HydrophobicContact CD1-CB 4.02Å; L723-E730 VanDerWaalsContact CD1-OE2 3.28Å; L723-E730 WeakPolarHBondContact CD1-OE2 3.32Å; E730-N732 WeakPolarHBondContact OE1-CB 3.35Å; E730-N732 PolarHBondContact OE1-N 3.24Å; E730-F735 HydrophobicContact CG-CB 3.96Å; E730-L736 HydrophobicContact CB-CD2 4.22Å; E730-L736 HydrophobicContact CG-CD2 4.11Å; E730-L736 HydrophobicContact CG-CG 4.06Å
731T82.2Confident82.8Confident122 Ų122103.3 Ų103.375%0.74852%0.521SS*.  trans-116.7-13.1179.157.80000112.6K729 K733K729-T731 PolarHBondContact O-N 2.83Å; T731-K733 PolarHBondContact O-N 3.13Å
732N84.1Confident82.1Confident49 Ų49100 Ų10026%0.26251%0.511SS..  trans-80.9119.5-175.4-170.3-24.9000110.9N699 E730 R734 F735 L736N699-N732 PolarHBondContact OD1-ND2 3.23Å; E730-N732 WeakPolarHBondContact OE1-CB 3.35Å; E730-N732 PolarHBondContact OE1-N 3.24Å; N732-R734 VanDerWaalsContact C-N 3.28Å; N732-R734 PolarHBondContact O-N 3.14Å; N732-R734 PolarHBondContact OD1-N 3.49Å; N732-F735 HydrophobicContact CB-CD2 3.83Å; N732-F735 PolarHBondContact O-N 3.07Å; N732-F735 VanDerWaalsContact O-N 3.07Å; N732-L736 PolarHBondContact O-N 3.25Å; N732-L736 VanDerWaalsContact O-N 3.09Å
733K83.8Confident81.4Confident179 Ų179105.6 Ų105.678%0.77854%0.538SS*.Hα-helixtrans-54.5-38.4-177.7-64.9-175.3179.2-177.50113.6T731 Q737T731-K733 PolarHBondContact O-N 3.13Å; K733-Q737 WeakPolarHBondContact O-CB 3.37Å; K733-Q737 PolarHBondContact O-N 3.37Å; K733-Q737 VanDerWaalsContact O-N 3.07Å
734R83.3Confident80.9Confident128 Ų128107.7 Ų107.748%0.48355%0.551SS.*Hα-helixtrans-63-44.9177.9-85.7-173.2176.2179.7-0.7111.2L702 E703 N732 Q737 Y738L702-R734 HydrophobicContact CD2-CB 4.45Å; E703-R734 IonicContact OE1-CZ 3.6Å; E703-R734 IonicContact OE1-NH1 2.97Å; E703-R734 PolarHBondContact OE1-NH1 3.44Å; N732-R734 VanDerWaalsContact C-N 3.28Å; N732-R734 PolarHBondContact O-N 3.14Å; N732-R734 PolarHBondContact OD1-N 3.49Å; R734-Q737 PolarHBondContact O-N 3.33Å; R734-Y738 WeakPolarHBondContact O-CD2 3.45Å; R734-Y738 PolarHBondContact O-N 3.19Å
735F83.9Confident80.6Confident2 Ų2104 Ų1041%0.00954%0.537CS..Hα-helixtrans-70.5-37.1-178.3-73.7-91.1000112.1W698 N699 L702 V715 L716 E730 N732 Y738 S739W698-F735 HydrophobicContact CB-CZ 3.87Å; W698-F735 WeakPolarHBondContact O-CZ 3.39Å; N699-F735 WeakPolarHBondContact OD1-CE2 3.29Å; L702-F735 HydrophobicContact CB-CE1 3.97Å; L702-F735 HydrophobicContact CB-CZ 3.88Å; L702-F735 HydrophobicContact CD1-CE1 4.38Å; L702-F735 HydrophobicContact CD2-CD1 3.94Å; L702-F735 HydrophobicContact CD2-CD2 4.2Å; L702-F735 HydrophobicContact CD2-CE1 3.72Å; L702-F735 HydrophobicContact CD2-CE2 3.99Å; L702-F735 HydrophobicContact CD2-CG 4.19Å; L702-F735 HydrophobicContact CD2-CZ 3.74Å; L702-F735 HydrophobicContact CG-CE1 4.23Å; L702-F735 HydrophobicContact CG-CZ 4.39Å; V715-F735 HydrophobicContact CG1-CE1 4.19Å; L716-F735 HydrophobicContact CD2-CB 4.49Å; L716-F735 HydrophobicContact CD2-CD1 3.9Å; E730-F735 HydrophobicContact CG-CB 3.96Å; N732-F735 HydrophobicContact CB-CD2 3.83Å; N732-F735 PolarHBondContact O-N 3.07Å; N732-F735 VanDerWaalsContact O-N 3.07Å; F735-Y738 PolarHBondContact O-N 3.03Å; F735-S739 VanDerWaalsContact O-CB 3.31Å; F735-S739 WeakPolarHBondContact O-CB 3.16Å; F735-S739 PolarHBondContact O-N 2.76Å; F735-S739 PolarHBondContact O-OG 3Å
736L82.6Confident80.1Confident72 Ų72103.6 Ų103.638%0.37752%0.523SS..Hα-helixtrans-61.2-46.4174-70.7167.9000111.7E730 N732 Y738 S739 E740E730-L736 HydrophobicContact CB-CD2 4.22Å; E730-L736 HydrophobicContact CG-CD2 4.11Å; E730-L736 HydrophobicContact CG-CG 4.06Å; N732-L736 PolarHBondContact O-N 3.25Å; N732-L736 VanDerWaalsContact O-N 3.09Å; L736-Y738 VanDerWaalsContact C-N 3.34Å; L736-Y738 PolarHBondContact O-N 3.46Å; L736-S739 WeakPolarHBondContact CA-OG 3.44Å; L736-S739 PolarHBondContact O-N 2.78Å; L736-S739 VanDerWaalsContact O-N 3.13Å; L736-S739 PolarHBondContact O-OG 2.95Å; L736-E740 PolarHBondContact O-N 2.94Å
737Q82.4Confident79.7Confident134 Ų134104.9 Ų104.963%0.62653%0.531SS*.Hα-helixtrans-59.2-41.8179.3-174.1179.66.800112.9K733 R734K733-Q737 WeakPolarHBondContact O-CB 3.37Å; K733-Q737 PolarHBondContact O-N 3.37Å; K733-Q737 VanDerWaalsContact O-N 3.07Å; R734-Q737 PolarHBondContact O-N 3.33Å
738Y80.4Confident79.4Confident86 Ų86109.1 Ų109.134%0.33752%0.524SS..Hα-helixtrans-79.4-23.5177.8-70.6-69.6000113.1L702 V706 R734 F735 L736 E740 G741 V742L702-Y738 HydrophobicContact CD1-CD2 4.49Å; L702-Y738 HydrophobicContact CD2-CD2 4.05Å; L702-Y738 HydrophobicContact CD2-CE2 4.48Å; V706-Y738 HydrophobicContact CG2-CE1 4.11Å; V706-Y738 HydrophobicContact CG2-CE2 4.29Å; R734-Y738 WeakPolarHBondContact O-CD2 3.45Å; R734-Y738 PolarHBondContact O-N 3.19Å; F735-Y738 PolarHBondContact O-N 3.03Å; L736-Y738 VanDerWaalsContact C-N 3.34Å; L736-Y738 PolarHBondContact O-N 3.46Å; Y738-E740 VanDerWaalsContact C-N 3.35Å; Y738-G741 PolarHBondContact O-N 3.02Å; Y738-V742 WeakPolarHBondContact O-CG2 3.1Å
739S75.3Confident79.1Confident57 Ų57100.3 Ų100.340%0.39949%0.491SS..Hα-helixtrans-70.8-27.9175.771.20000113.5F735 L736 G741F735-S739 VanDerWaalsContact O-CB 3.31Å; F735-S739 WeakPolarHBondContact O-CB 3.16Å; F735-S739 PolarHBondContact O-N 2.76Å; F735-S739 PolarHBondContact O-OG 3Å; L736-S739 WeakPolarHBondContact CA-OG 3.44Å; L736-S739 PolarHBondContact O-N 2.78Å; L736-S739 VanDerWaalsContact O-N 3.13Å; L736-S739 PolarHBondContact O-OG 2.95Å; S739-G741 PolarHBondContact O-N 2.8Å
740E72.1Confident79Confident170 Ų17096.8 Ų96.879%0.79448%0.477SS*.THydrogen-bonded Turntrans-68.8-20.9176.8-72.6176.218000113L736 Y738L736-E740 PolarHBondContact O-N 2.94Å; Y738-E740 VanDerWaalsContact C-N 3.35Å
741G65.4Low79Confident70 Ų7097 Ų9772%0.72249%0.487SS*.THydrogen-bonded Turntrans-109.40.5-175.800000115.7Y738 S739Y738-G741 PolarHBondContact O-N 3.02Å; S739-G741 PolarHBondContact O-N 2.8Å
742V73.3Confident79Confident49 Ų4994.7 Ų94.730%0.29747%0.467SS..  trans-137.2114.2-172.4-177.50000110.5V712 D713 L716 Y738V712-V742 HydrophobicContact CG1-CG2 4.5Å; D713-V742 HydrophobicContact CB-CG1 3.68Å; L716-V742 HydrophobicContact CD1-CB 4.14Å; L716-V742 HydrophobicContact CD1-CG1 4.41Å; Y738-V742 WeakPolarHBondContact O-CG2 3.1Å
743E73.1Confident78.9Confident182 Ų18293.2 Ų93.285%0.8546%0.459SS*.  trans-71.9128.2170.8-75.5-176.5158.900110.8
744V75.8Confident78.8Confident69 Ų6991.3 Ų91.342%0.41845%0.453SS..  trans-92.6105.7178.4176.40000109.4L716 A717 I749L716-V744 HydrophobicContact CB-CG2 4.26Å; A717-V744 HydrophobicContact CB-CG1 3.47Å; A717-V744 VanDerWaalsContact CB-CG1 3.47Å; V744-I749 HydrophobicContact CG1-CD1 4.17Å
745D82.2Confident78.8Confident79 Ų7990.5 Ų90.542%0.42246%0.456SS..  trans-119.1116.1175.3176.42.2000110.2E747 R748 I749D745-E747 PolarHBondContact OD1-N 3.09Å; D745-E747 VanDerWaalsContact OD1-N 3.11Å; D745-R748 HydrophobicContact CB-CB 4.07Å; D745-R748 WeakPolarHBondContact OD2-CB 3.25Å; D745-I749 WeakPolarHBondContact O-CB 3.39Å; D745-I749 WeakPolarHBondContact O-CD1 3.46Å; D745-I749 WeakPolarHBondContact O-CG1 3.16Å; D745-I749 PolarHBondContact O-N 2.97Å
746W78.1Confident78.7Confident100 Ų10093.4 Ų93.438%0.37947%0.469SS..Hα-helixtrans-67.9-35.8-174.9-74.7102.7000113.7A717 K721 I749 Q750A717-W746 HydrophobicContact CB-CE3 4.42Å; A717-W746 HydrophobicContact CB-CH2 3.63Å; A717-W746 HydrophobicContact CB-CZ2 3.77Å; A717-W746 HydrophobicContact CB-CZ3 3.97Å; A717-W746 WeakPolarHBondContact O-CH2 3.2Å; A717-W746 WeakPolarHBondContact O-CZ2 3.37Å; K721-W746 HydrophobicContact CB-CH2 4.11Å; K721-W746 HydrophobicContact CB-CZ2 4.05Å; K721-W746 HydrophobicContact CD-CH2 3.95Å; K721-W746 HydrophobicContact CD-CZ2 4.24Å; W746-I749 PolarHBondContact O-N 2.87Å; W746-Q750 WeakPolarHBondContact O-CG 3.34Å; W746-Q750 PolarHBondContact O-N 2.95Å
747E78.9Confident78.5Confident156 Ų15692.6 Ų92.673%0.72947%0.465SS*.Hα-helixtrans-68.4-43.3-179.9-70.2-175.517500110.1D745 I749 Q750 A751D745-E747 PolarHBondContact OD1-N 3.09Å; D745-E747 VanDerWaalsContact OD1-N 3.11Å; E747-I749 VanDerWaalsContact C-N 3.33Å; E747-I749 PolarHBondContact O-N 2.9Å; E747-Q750 PolarHBondContact O-N 2.88Å; E747-A751 PolarHBondContact O-N 3.28Å
748R80.3Confident78.5Confident162 Ų16292 Ų9261%0.61146%0.461SS*.Hα-helixtrans-65.6-36.6175.9-168.4176.4-175.1-1772.1112.5D745 K752D745-R748 HydrophobicContact CB-CB 4.07Å; D745-R748 WeakPolarHBondContact OD2-CB 3.25Å; R748-K752 WeakPolarHBondContact O-CG 3.39Å; R748-K752 PolarHBondContact O-N 3.34Å; R748-K752 VanDerWaalsContact O-N 3.13Å
749I81.2Confident78.5Confident1 Ų192.5 Ų92.51%0.00547%0.465CS..Hα-helixtrans-65.6-47175.1-73.9165.7000110.4D713 T714 A717 V744 D745 W746 E747 A751 K752 I753D713-I749 HydrophobicContact CB-CD1 4.32Å; D713-I749 HydrophobicContact CB-CG1 4.38Å; T714-I749 HydrophobicContact CG2-CB 4.4Å; T714-I749 HydrophobicContact CG2-CG1 4.18Å; T714-I749 HydrophobicContact CG2-CG2 3.64Å; A717-I749 HydrophobicContact CB-CD1 3.58Å; V744-I749 HydrophobicContact CG1-CD1 4.17Å; D745-I749 WeakPolarHBondContact O-CB 3.39Å; D745-I749 WeakPolarHBondContact O-CD1 3.46Å; D745-I749 WeakPolarHBondContact O-CG1 3.16Å; D745-I749 PolarHBondContact O-N 2.97Å; W746-I749 PolarHBondContact O-N 2.87Å; E747-I749 VanDerWaalsContact C-N 3.33Å; E747-I749 PolarHBondContact O-N 2.9Å; I749-A751 PolarHBondContact O-N 3.24Å; I749-K752 PolarHBondContact O-N 3.4Å; I749-I753 HydrophobicContact CG2-CD1 3.71Å; I749-I753 HydrophobicContact CG2-CG1 4.43Å; I749-I753 VanDerWaalsContact O-CG1 3.24Å; I749-I753 WeakPolarHBondContact O-CG1 3.46Å; I749-I753 PolarHBondContact O-N 2.87Å
750Q79.1Confident78.8Confident116 Ų11690.2 Ų90.254%0.54245%0.448SS..Hα-helixtrans-60.7-44.8177.8-78.5174.8-42.600112W746 E747 K752 I753 E754W746-Q750 WeakPolarHBondContact O-CG 3.34Å; W746-Q750 PolarHBondContact O-N 2.95Å; E747-Q750 PolarHBondContact O-N 2.88Å; Q750-K752 VanDerWaalsContact C-N 3.32Å; Q750-K752 PolarHBondContact O-N 3.07Å; Q750-I753 WeakPolarHBondContact O-CB 3.42Å; Q750-I753 PolarHBondContact O-N 2.81Å; Q750-I753 VanDerWaalsContact O-N 3.14Å; Q750-E754 PolarHBondContact O-N 2.91Å
751A81.2Confident79.2Confident54 Ų5490 Ų9045%0.44644%0.44SS..Hα-helixtrans-61-38.3176.500000112.9E747 I749 M755E747-A751 PolarHBondContact O-N 3.28Å; I749-A751 PolarHBondContact O-N 3.24Å; A751-M755 WeakPolarHBondContact O-CB 3.35Å; A751-M755 PolarHBondContact O-N 2.96Å
752K82.9Confident79.9Confident73 Ų7391.1 Ų91.132%0.31743%0.426SS..Hα-helixtrans-65.3-40.4174.3-76.6176.6-176.31770112.2D713 R748 I749 Q750 M755 E756D713-K752 IonicContact OD2-NZ 3.13Å; D713-K752 PolarHBondContact OD2-NZ 3.5Å; R748-K752 WeakPolarHBondContact O-CG 3.39Å; R748-K752 PolarHBondContact O-N 3.34Å; R748-K752 VanDerWaalsContact O-N 3.13Å; I749-K752 PolarHBondContact O-N 3.4Å; Q750-K752 VanDerWaalsContact C-N 3.32Å; Q750-K752 PolarHBondContact O-N 3.07Å; K752-M755 PolarHBondContact O-N 3.39Å; K752-E756 PolarHBondContact O-N 2.86Å; K752-E756 VanDerWaalsContact O-N 3.1Å
753I82.6Confident80.1Confident19 Ų1994.2 Ų94.210%0.09744%0.436CS..Hα-helixtrans-65.1-47.5178.8-68.3169.4000110.4Y686 Y718 I749 Q750 M755 E756 L757Y686-I753 HydrophobicContact CE1-CG2 3.97Å; Y686-I753 HydrophobicContact CE2-CD1 4.31Å; Y686-I753 HydrophobicContact CE2-CG1 3.68Å; Y686-I753 WeakPolarHBondContact OH-CD1 3.42Å; Y686-I753 WeakPolarHBondContact OH-CG1 3.5Å; Y686-I753 WeakPolarHBondContact OH-CG2 2.88Å; Y718-I753 HydrophobicContact CE2-CD1 4.48Å; I749-I753 HydrophobicContact CG2-CD1 3.71Å; I749-I753 HydrophobicContact CG2-CG1 4.43Å; I749-I753 VanDerWaalsContact O-CG1 3.24Å; I749-I753 WeakPolarHBondContact O-CG1 3.46Å; I749-I753 PolarHBondContact O-N 2.87Å; Q750-I753 WeakPolarHBondContact O-CB 3.42Å; Q750-I753 PolarHBondContact O-N 2.81Å; Q750-I753 VanDerWaalsContact O-N 3.14Å; I753-M755 VanDerWaalsContact C-N 3.28Å; I753-M755 PolarHBondContact O-N 3.1Å; I753-E756 PolarHBondContact O-N 3.2Å; I753-L757 HydrophobicContact CG2-CD1 3.85Å; I753-L757 WeakPolarHBondContact O-CG 3.26Å; I753-L757 PolarHBondContact O-N 3.04Å
754E81.1Confident80.2Confident138 Ų13886.7 Ų86.765%0.64541%0.405SS*.Hα-helixtrans-60.7-39.4177.4-74.3-177.9173.400111.9Q750 L757 F758Q750-E754 PolarHBondContact O-N 2.91Å; E754-L757 PolarHBondContact O-N 2.91Å; E754-F758 VanDerWaalsContact O-CB 3.31Å; E754-F758 WeakPolarHBondContact O-CB 3.4Å; E754-F758 PolarHBondContact O-N 3.18Å
755M82.9Confident80.1Confident112 Ų11286 Ų8655%0.55241%0.406SS*.Hα-helixtrans-63.7-41.6176.2-170.6-174.5-65.300112.4A751 K752 I753 F758 K759A751-M755 WeakPolarHBondContact O-CB 3.35Å; A751-M755 PolarHBondContact O-N 2.96Å; K752-M755 PolarHBondContact O-N 3.39Å; I753-M755 VanDerWaalsContact C-N 3.28Å; I753-M755 PolarHBondContact O-N 3.1Å; M755-F758 PolarHBondContact O-N 2.77Å; M755-K759 VanDerWaalsContact O-CG 3.31Å; M755-K759 WeakPolarHBondContact O-CG 3.18Å; M755-K759 PolarHBondContact O-N 2.84Å
756E82.1Confident79.3Confident62 Ų6288.5 Ų88.529%0.2942%0.415SS..Hα-helixtrans-68.6-40.3176.6-74.6-62.112900112.2Y686 K752 I753 F758 K759 E760Y686-E756 HydrophobicContact CD1-CB 4.4Å; Y686-E756 HydrophobicContact CG-CB 4.38Å; K752-E756 PolarHBondContact O-N 2.86Å; K752-E756 VanDerWaalsContact O-N 3.1Å; I753-E756 PolarHBondContact O-N 3.2Å; E756-F758 VanDerWaalsContact C-N 3.32Å; E756-F758 PolarHBondContact O-N 3.45Å; E756-K759 PolarHBondContact O-N 2.81Å; E756-K759 IonicContact OE1-NZ 3.43Å; E756-K759 PolarHBondContact OE1-NZ 3.47Å; E756-E760 WeakPolarHBondContact O-CB 3.23Å; E756-E760 PolarHBondContact O-N 3.17Å
757L78.9Confident78.5Confident56 Ų5688 Ų8829%0.29342%0.423SS..Hα-helixtrans-64.2-37.2174-73.7166.5000112.1I753 E754 E760 R761I753-L757 HydrophobicContact CG2-CD1 3.85Å; I753-L757 WeakPolarHBondContact O-CG 3.26Å; I753-L757 PolarHBondContact O-N 3.04Å; E754-L757 PolarHBondContact O-N 2.91Å; L757-E760 PolarHBondContact O-N 3.31Å; L757-R761 WeakPolarHBondContact O-CG 3.5Å; L757-R761 PolarHBondContact O-N 3.29Å
758F81.3Confident77.6Confident120 Ų12084.4 Ų84.453%0.52642%0.415SS..Hα-helixtrans-65.3-47174.3-176.9-94.5000111.4E754 M755 E756 E760 R761 E762E754-F758 VanDerWaalsContact O-CB 3.31Å; E754-F758 WeakPolarHBondContact O-CB 3.4Å; E754-F758 PolarHBondContact O-N 3.18Å; M755-F758 PolarHBondContact O-N 2.77Å; E756-F758 VanDerWaalsContact C-N 3.32Å; E756-F758 PolarHBondContact O-N 3.45Å; F758-E760 VanDerWaalsContact C-N 3.28Å; F758-E760 PolarHBondContact O-N 2.9Å; F758-R761 WeakPolarHBondContact O-CB 3.31Å; F758-R761 PolarHBondContact O-N 2.89Å; F758-E762 HydrophobicContact CD1-CG 4.23Å; F758-E762 HydrophobicContact CE1-CG 3.73Å; F758-E762 WeakPolarHBondContact CE1-OE1 3.26Å; F758-E762 WeakPolarHBondContact CE1-OE2 3.42Å; F758-E762 HydrophobicContact CZ-CG 3.97Å; F758-E762 PolarHBondContact O-N 2.97Å
759K81.3Confident76.3Confident97 Ų9780.8 Ų80.842%0.42241%0.411SS..Hα-helixtrans-58.8-39.9174.3-73.7174.2-168.5166.50112.1M755 E756 E762 K763M755-K759 VanDerWaalsContact O-CG 3.31Å; M755-K759 WeakPolarHBondContact O-CG 3.18Å; M755-K759 PolarHBondContact O-N 2.84Å; E756-K759 PolarHBondContact O-N 2.81Å; E756-K759 IonicContact OE1-NZ 3.43Å; E756-K759 PolarHBondContact OE1-NZ 3.47Å; K759-E762 PolarHBondContact O-N 2.75Å; K759-K763 VanDerWaalsContact O-CB 3.25Å; K759-K763 WeakPolarHBondContact O-CB 3.39Å; K759-K763 PolarHBondContact O-N 2.94Å
760E81.3Confident74.8Confident9 Ų990.8 Ų90.84%0.04245%0.449CS..Hα-helixtrans-62.7-45.5176.3-174.3177.5176.900111.3P656 S657 S660 L684 Q687 E756 L757 F758 K763 A764P656-E760 HydrophobicContact CG-CG 3.94Å; S657-E760 WeakPolarHBondContact CB-OE1 3.11Å; S657-E760 PolarHBondContact OG-OE1 2.93Å; S660-E760 VanDerWaalsContact CB-OE1 3.32Å; S660-E760 WeakPolarHBondContact CB-OE1 3.36Å; L684-E760 HydrophobicContact CD2-CB 4.44Å; L684-E760 HydrophobicContact CD2-CG 3.83Å; Q687-E760 PolarHBondContact NE2-OE2 2.83Å; E756-E760 WeakPolarHBondContact O-CB 3.23Å; E756-E760 PolarHBondContact O-N 3.17Å; L757-E760 PolarHBondContact O-N 3.31Å; F758-E760 VanDerWaalsContact C-N 3.28Å; F758-E760 PolarHBondContact O-N 2.9Å; E760-K763 PolarHBondContact O-N 2.99Å; E760-A764 WeakPolarHBondContact O-CB 2.9Å; E760-A764 PolarHBondContact O-N 3.09Å
761R80.8Confident73Confident167 Ų16787.3 Ų87.363%0.6344%0.444SS*.Hα-helixtrans-61.3-45175.7-76.1174.3179.9-179.61.7112.4P656 L757 F758 A764 A765P656-R761 HydrophobicContact CB-CG 3.55Å; P656-R761 HydrophobicContact CG-CG 4.36Å; L757-R761 WeakPolarHBondContact O-CG 3.5Å; L757-R761 PolarHBondContact O-N 3.29Å; F758-R761 WeakPolarHBondContact O-CB 3.31Å; F758-R761 PolarHBondContact O-N 2.89Å; R761-A764 PolarHBondContact O-N 3.26Å; R761-A765 WeakPolarHBondContact O-CB 3.26Å; R761-A765 PolarHBondContact O-N 2.57Å
762E79.2Confident71.1Confident93 Ų9387.6 Ų87.644%0.43544%0.442SS..Hα-helixtrans-62.8-44.4176-77.6-164.8138.600111.9F758 K759 A764 A765 H766F758-E762 HydrophobicContact CD1-CG 4.23Å; F758-E762 HydrophobicContact CE1-CG 3.73Å; F758-E762 WeakPolarHBondContact CE1-OE1 3.26Å; F758-E762 WeakPolarHBondContact CE1-OE2 3.42Å; F758-E762 HydrophobicContact CZ-CG 3.97Å; F758-E762 PolarHBondContact O-N 2.97Å; K759-E762 PolarHBondContact O-N 2.75Å; E762-A764 VanDerWaalsContact C-N 3.32Å; E762-A764 PolarHBondContact O-N 2.84Å; E762-A765 PolarHBondContact O-N 2.97Å; E762-H766 PolarHBondContact O-CD2 2.82Å; E762-H766 VanDerWaalsContact O-CD2 3.25Å; E762-H766 PolarHBondContact O-N 3.02Å
763K77.8Confident69.3Low114 Ų11488.1 Ų88.150%0.49645%0.452SS..Hα-helixtrans-61.6-41.9178-167.2-178.7-179.3-172.50111A682 K759 E760 T767A682-K763 PolarHBondContact O-NZ 3.43Å; K759-K763 VanDerWaalsContact O-CB 3.25Å; K759-K763 WeakPolarHBondContact O-CB 3.39Å; K759-K763 PolarHBondContact O-N 2.94Å; E760-K763 PolarHBondContact O-N 2.99Å; K763-T767 PolarHBondContact O-N 3.21Å; K763-T767 PolarHBondContact O-OG1 2.8Å
764A75Confident67Low24 Ų2490.4 Ų90.420%0.19847%0.473CS..Hα-helixtrans-65-43.7175.200000112.4P656 E760 R761 E762 H766 T767 S768P656-A764 WeakPolarHBondContact O-CB 3.44Å; E760-A764 WeakPolarHBondContact O-CB 2.9Å; E760-A764 PolarHBondContact O-N 3.09Å; R761-A764 PolarHBondContact O-N 3.26Å; E762-A764 VanDerWaalsContact C-N 3.32Å; E762-A764 PolarHBondContact O-N 2.84Å; A764-H766 PolarHBondContact O-N 3.16Å; A764-T767 PolarHBondContact O-N 2.68Å; A764-S768 PolarHBondContact O-N 3.42Å
765A73.1Confident64.9Low54 Ų5487.7 Ų87.745%0.44647%0.469SS..Hα-helixtrans-60.5-45.8177.500000112.1R761 E762 T767 S768 V769R761-A765 WeakPolarHBondContact O-CB 3.26Å; R761-A765 PolarHBondContact O-N 2.57Å; E762-A765 PolarHBondContact O-N 2.97Å; A765-T767 VanDerWaalsContact C-N 3.3Å; A765-T767 PolarHBondContact O-N 3.01Å; A765-S768 WeakPolarHBondContact O-CB 2.98Å; A765-S768 PolarHBondContact O-N 2.86Å; A765-V769 WeakPolarHBondContact O-CG2 3.47Å; A765-V769 PolarHBondContact O-N 3.48Å; A765-V769 VanDerWaalsContact O-N 3.12Å
766H66.4Low62.9Low131 Ų13192.6 Ų92.661%0.60648%0.482SS*.Hα-helixtrans-63.5-33.4176.9-80.8-57.2000113.6E762 A764 R770E762-H766 PolarHBondContact O-CD2 2.82Å; E762-H766 VanDerWaalsContact O-CD2 3.25Å; E762-H766 PolarHBondContact O-N 3.02Å; A764-H766 PolarHBondContact O-N 3.16Å; H766-R770 PolarHBondContact O-N 2.79Å
767T61.9Low60.8Low89 Ų8997.5 Ų97.555%0.54650%0.504SS..Hα-helixtrans-74.2-35.1179-44.80000111.5K763 A764 A765 G771K763-T767 PolarHBondContact O-N 3.21Å; K763-T767 PolarHBondContact O-OG1 2.8Å; A764-T767 PolarHBondContact O-N 2.68Å; A765-T767 VanDerWaalsContact C-N 3.3Å; A765-T767 PolarHBondContact O-N 3.01Å; T767-G771 PolarHBondContact O-N 2.89Å
768S58.5Low58.6Low81 Ų81105.2 Ų105.257%0.56655%0.545SS*.Hα-helixtrans-62.5-44.2171.4135.80000112.3A764 A765 G771 S772A764-S768 PolarHBondContact O-N 3.42Å; A765-S768 WeakPolarHBondContact O-CB 2.98Å; A765-S768 PolarHBondContact O-N 2.86Å; S768-G771 PolarHBondContact O-N 2.68Å; S768-S772 PolarHBondContact O-N 3.28Å; S768-S772 VanDerWaalsContact O-N 3.12Å
769V53.4Low57.4Low87 Ų87104.5 Ų104.553%0.52755%0.546SS..Hα-helixtrans-65-43.7-179.5175.60000111.3A765 G771 S772 V773A765-V769 WeakPolarHBondContact O-CG2 3.47Å; A765-V769 PolarHBondContact O-N 3.48Å; A765-V769 VanDerWaalsContact O-N 3.12Å; V769-G771 PolarHBondContact O-N 3.33Å; V769-S772 PolarHBondContact O-N 3.16Å; V769-S772 PolarHBondContact O-OG 2.77Å; V769-V773 WeakPolarHBondContact O-CG2 3.44Å; V769-V773 PolarHBondContact O-N 2.85Å
770R49.9Very low56.2Low211 Ų211104.8 Ų104.880%0.79655%0.552SS**Hα-helixtrans-62.8-37174.9-86.4-176.5171.7-178.8-1.2113.4H766 V773 A774H766-R770 PolarHBondContact O-N 2.79Å; R770-V773 PolarHBondContact O-N 3.44Å; R770-A774 PolarHBondContact O-N 3.33Å
771G42Very low54.8Low43 Ų43110.2 Ų110.244%0.44358%0.58SS.*Hα-helixtrans-63.9-39.4175.600000113.1T767 S768 V769 V773 A774 S775T767-G771 PolarHBondContact O-N 2.89Å; S768-G771 PolarHBondContact O-N 2.68Å; V769-G771 PolarHBondContact O-N 3.33Å; G771-V773 PolarHBondContact O-N 2.76Å; G771-A774 PolarHBondContact O-N 2.66Å; G771-S775 PolarHBondContact O-N 3.36Å; G771-S775 PolarHBondContact O-OG 3.41Å
772S41Very low53.3Low59 Ų59106.8 Ų106.841%0.41358%0.577SS.*Hα-helixtrans-70.9-25.7179.473.10000114.5S768 V769 S775S768-S772 PolarHBondContact O-N 3.28Å; S768-S772 VanDerWaalsContact O-N 3.12Å; V769-S772 PolarHBondContact O-N 3.16Å; V769-S772 PolarHBondContact O-OG 2.77Å; S772-S775 PolarHBondContact O-OG 3.44Å
773V44.1Very low51.7Low85 Ų85107.7 Ų107.752%0.51559%0.586SS.*Hα-helixtrans-80.6-33.2176.2178.20000111.3V769 R770 G771V769-V773 WeakPolarHBondContact O-CG2 3.44Å; V769-V773 PolarHBondContact O-N 2.85Å; R770-V773 PolarHBondContact O-N 3.44Å; G771-V773 PolarHBondContact O-N 2.76Å
774A35.4Very low49.9Very low66 Ų66107.3 Ų107.355%0.54559%0.592SS.*Hα-helixtrans-72-33.8175.100000113R770 G771 R776 H777R770-A774 PolarHBondContact O-N 3.33Å; G771-A774 PolarHBondContact O-N 2.66Å; A774-R776 VanDerWaalsContact C-N 3.26Å; A774-R776 PolarHBondContact O-N 3.36Å; A774-H777 PolarHBondContact O-N 3.37Å
775S36.9Very low48.1Very low81 Ų81113.2 Ų113.257%0.56662%0.621SS**THydrogen-bonded Turntrans-79-1.8176.867.70000114.6G771 S772G771-S775 PolarHBondContact O-N 3.36Å; G771-S775 PolarHBondContact O-OG 3.41Å; S772-S775 PolarHBondContact O-OG 3.44Å
776R40.8Very low46.2Very low215 Ų215117.8 Ų117.881%0.81163%0.634SS**THydrogen-bonded Turntrans-97.10.2172.4-82.4-176.5173.6-177.6-0.5113.1A774A774-R776 VanDerWaalsContact C-N 3.26Å; A774-R776 PolarHBondContact O-N 3.36Å
777H37.5Very low44.5Very low165 Ų165116.7 Ų116.776%0.76464%0.636SS**  trans-121.415.5178.9-77.2-56.1000114.2A774A774-H777 PolarHBondContact O-N 3.37Å
778L32.7Very low42.9Very low218 Ų218119.2 Ų119.2100%1.14164%0.644SS**  trans-126.90162.3-78.4162.7000107.2

Retrieved 778 of 778 residues in 1100.6 ms (Link to these results)

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