A0A077Z4M5_TRITR Loading...

Eukaryotic translation initiation factor 4H

Stimulates the RNA helicase activity of EIF4A in the translation initiation complex. Binds weakly mRNA.

AlphaFold DB , UniProt , Accession A0A077Z4M5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 305 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
1M43.6Very low46.5Very low240 Ų240161.2 Ų161.2100%1.18285%0.847SS**  0138.60-71.2-175.8172.100107.7
2L45.3Very low45.8Very low181 Ų181156.6 Ų156.695%0.94884%0.838SS**  trans-59.8134.3-147.4-68.293.2000115.5
3G44.6Very low45.4Very low67 Ų67154 Ų15469%0.69183%0.831SS**  trans-89.3117.2173.200000111.6H5G3-H5 PolarHBondContact O-N 2.98Å
4D54.3Low44.9Very low152 Ų152157.6 Ų157.681%0.81383%0.829SS**  trans-76103.9176.4-159.1-93.1000110S6D4-S6 PolarHBondContact O-N 3.05Å
5H52.1Low44.2Very low175 Ų175158.5 Ų158.581%0.8183%0.827SS**  trans-87.689.3172.8-87.467.9000109.6G3 V7G3-H5 PolarHBondContact O-N 2.98Å; H5-V7 PolarHBondContact O-N 3.28Å; H5-V7 VanDerWaalsContact O-N 3.09Å
6S48.6Very low44.2Very low96 Ų96156.3 Ų156.367%0.67182%0.822SS**  trans-67.497.7167.4-166.30000110.2D4 K8D4-S6 PolarHBondContact O-N 3.05Å; S6-K8 PolarHBondContact O-N 3.49Å; S6-K8 VanDerWaalsContact O-N 3.14Å
7V53.6Low43.5Very low136 Ų136158.8 Ų158.882%0.82483%0.825SS**  trans-73.699.8171.2-820000109.9H5 R9H5-V7 PolarHBondContact O-N 3.28Å; H5-V7 VanDerWaalsContact O-N 3.09Å; V7-R9 PolarHBondContact O-N 3.14Å
8K49.8Very low43.1Very low188 Ų188153.7 Ų153.782%0.81782%0.817SS**  trans-61.8112169.3-66.1175.5-179.4176.40109.2S6 L10S6-K8 PolarHBondContact O-N 3.49Å; S6-K8 VanDerWaalsContact O-N 3.14Å; K8-L10 PolarHBondContact O-N 3.2Å; K8-L10 VanDerWaalsContact O-N 3.11Å
9R38.8Very low42.5Very low249 Ų249158.8 Ų158.894%0.9483%0.826SS**  trans-60.6108.8163.9-91.5-179.2173.7153.2-1.8108.7V7 T11V7-R9 PolarHBondContact O-N 3.14Å; R9-T11 PolarHBondContact O-N 2.82Å
10L45.8Very low42.2Very low167 Ų167154 Ų15487%0.87482%0.816SS**  trans-69118.9167.3-91.5151.3000109.4K8K8-L10 PolarHBondContact O-N 3.2Å; K8-L10 VanDerWaalsContact O-N 3.11Å
11T35.1Very low42.3Very low122 Ų122158.6 Ų158.675%0.74882%0.823SS**  trans-63.4134.5159.2410000109.4R9R9-T11 PolarHBondContact O-N 2.82Å
12S37.8Very low42.2Very low106 Ų106158.6 Ų158.674%0.74181%0.809SS**  trans-123.9115.1160.5-166.20000109.7
13V40.8Very low42.4Very low123 Ų123154.4 Ų154.475%0.74579%0.785SS**  trans-84113.5177.4173.60000107.2
14Y38.2Very low42.4Very low205 Ų205156 Ų15680%0.80479%0.785SS**  trans-133.293.7160.7-93.6-89.8000109.5V16Y14-V16 HydrophobicContact CD1-CG2 4.08Å
15Q34.2Very low42.4Very low171 Ų171154.7 Ų154.780%0.79977%0.774SS**  trans-96.1108.9162.9-173.1-176.182.700106.8
16V44.9Very low42.5Very low122 Ų122152.1 Ų152.174%0.73976%0.757SS**  trans-129.3115.4167.7-164.80000108Y14Y14-V16 HydrophobicContact CD1-CG2 4.08Å
17K32.6Very low43Very low200 Ų200153.2 Ų153.287%0.8776%0.762SS**  trans-73.3119.1172.8-75.2172.3173.91730108.5
18G35.3Very low43.2Very low66 Ų66150.2 Ų150.268%0.6874%0.741SS**  trans-160.4126.7172.700000110.3G20G18-G20 PolarHBondContact O-N 3.47Å
19Y33Very low43.7Very low252 Ų252142.7 Ų142.799%0.98871%0.712SS**  trans-66.796.1-175.1-62.3-96.2000111.2
20G35.7Very low44.7Very low62 Ų62136 Ų13664%0.63970%0.703SS**  trans-144.5131.3172.100000108.5G18 R22G18-G20 PolarHBondContact O-N 3.47Å; G20-R22 PolarHBondContact O-N 3.39Å; G20-R22 VanDerWaalsContact O-N 3.11Å
21R44.4Very low45.4Very low251 Ų251134.6 Ų134.695%0.94769%0.692SS**  trans-48.9123.6-178.9-65.5-153.9-168-153.78.1109.3Q23R21-Q23 VanDerWaalsContact C-N 3.33Å; R21-Q23 PolarHBondContact O-N 2.92Å
22R41.5Very low46.9Very low239 Ų239132.6 Ų132.690%0.90268%0.681SS**  trans-48.4101167-79.6178.9170.2172.7-3.9107.3G20 S24G20-R22 PolarHBondContact O-N 3.39Å; G20-R22 VanDerWaalsContact O-N 3.11Å; R22-S24 PolarHBondContact O-N 3.16Å
23Q49.2Very low48.3Very low94 Ų94129.3 Ų129.344%0.43966%0.657SS.*  trans-66.489.7161.2-84.9173.5-4.200104.2R21 Q25 N94R21-Q23 VanDerWaalsContact C-N 3.33Å; R21-Q23 PolarHBondContact O-N 2.92Å; Q23-Q25 VanDerWaalsContact C-N 3.3Å; Q23-Q25 PolarHBondContact O-N 2.86Å; Q23-N94 PolarHBondContact OE1-ND2 3.4Å
24S44.8Very low50.4Low99 Ų99124.5 Ų124.569%0.69263%0.626SS**  trans-57.2104.9164.210.10000103.7R22 R26R22-S24 PolarHBondContact O-N 3.16Å; S24-R26 PolarHBondContact O-N 3.13Å
25Q53.6Low52.6Low126 Ų126115.3 Ų115.359%0.58959%0.591SS**PPolyproline II helixtrans-52.3116.3167.2-68.8-151.9-14.500105.7Q23Q23-Q25 VanDerWaalsContact C-N 3.3Å; Q23-Q25 PolarHBondContact O-N 2.86Å
26R55.4Low55.2Low120 Ų120107.1 Ų107.145%0.45355%0.553SS.*PPolyproline II helixtrans-60.6142.9178.9-65.5175.5-177.8-144-3.4107S24 L28 D106 V107 E109S24-R26 PolarHBondContact O-N 3.13Å; R26-L28 PolarHBondContact O-N 3.41Å; R26-D106 IonicContact NE-OD1 3.66Å; R26-D106 PolarHBondContact NE-OD1 3.48Å; R26-V107 HydrophobicContact CB-CB 4.15Å; R26-V107 HydrophobicContact CB-CG2 4.47Å; R26-E109 IonicContact NH1-OE2 3.99Å
27P58.8Low57.3Low119 Ų119103.8 Ų103.877%0.77353%0.528SS*.PPolyproline II helixtrans-54.2135.1176.625.1-33.4000108.6
28L57.3Low60Low73 Ų7394.3 Ų94.338%0.38249%0.486SS..PPolyproline II helixtrans-57.3127.7-179.5-65.8156.8000108.1R26 S30 L84 L87 A88 L91R26-L28 PolarHBondContact O-N 3.41Å; L28-S30 PolarHBondContact O-N 3.24Å; L28-L84 HydrophobicContact CB-CD1 4.22Å; L28-L84 HydrophobicContact CB-CG 4.37Å; L28-L84 HydrophobicContact CD1-CD2 3.81Å; L28-L84 HydrophobicContact CD1-CG 4.48Å; L28-L87 HydrophobicContact CD2-CD2 3.97Å; L28-L87 HydrophobicContact CD2-CG 4.19Å; L28-A88 HydrophobicContact CD2-CB 4.45Å; L28-L91 HydrophobicContact CD2-CD1 4.12Å
29P59.9Low62.6Low31 Ų3191.2 Ų91.220%0.20145%0.454CS..PPolyproline II helixtrans-59.8131.1174.324.4-32.8000107.9E31 F34 L87 V107P29-E31 VanDerWaalsContact C-N 3.27Å; P29-F34 HydrophobicContact CG-CD1 4.33Å; P29-F34 VanDerWaalsContact O-CE1 3.27Å; P29-F34 WeakPolarHBondContact O-CE1 3.44Å; P29-L87 HydrophobicContact CG-CD2 3.98Å; P29-V107 HydrophobicContact CG-CG1 4.17Å
30S59.7Low65.2Low107 Ų10783.4 Ų83.475%0.74843%0.43SS*.SBendtrans-80.6-9.4179.854.40000113.1L28L28-S30 PolarHBondContact O-N 3.24Å
31E62.3Low67.6Low138 Ų13880.6 Ų80.665%0.64540%0.4SS*.SBendtrans-121.8140.2-178.6-65.6-175.2179.300110.9P29P29-E31 VanDerWaalsContact C-N 3.27Å
32P65.4Low69.3Low81 Ų8168.9 Ų68.953%0.52636%0.357SS..SBendtrans-65.6141.7170.428.4-33.5000110F34P32-F34 HydrophobicContact CB-CD2 4.37Å; P32-F34 HydrophobicContact CB-CE2 4.16Å
33P68.5Low71Confident37 Ų3761.3 Ų61.324%0.2434%0.338CS..  cis-90.5129.720.332.2-33.9000114.8T35 E80 D110P33-T35 PolarHBondContact O-N 3.48Å; P33-T35 PolarHBondContact O-OG1 2.9Å; P33-E80 HydrophobicContact CB-CG 4.02Å; P33-E80 WeakPolarHBondContact CB-OE1 3.46Å; P33-D110 HydrophobicContact CG-CB 4.16Å
34F82.9Confident72.5Confident22 Ų2260.5 Ų60.510%0.09634%0.343CS..EExtended strand (participates in β ladder)trans-77.488174.9-56.6-70.1000110P29 P32 F81 R82 L84 L87P29-F34 HydrophobicContact CG-CD1 4.33Å; P29-F34 VanDerWaalsContact O-CE1 3.27Å; P29-F34 WeakPolarHBondContact O-CE1 3.44Å; P32-F34 HydrophobicContact CB-CD2 4.37Å; P32-F34 HydrophobicContact CB-CE2 4.16Å; F34-F81 HydrophobicContact CB-CB 4.25Å; F34-F81 PolarHBondContact O-N 3.41Å; F34-R82 WeakPolarHBondContact CD2-O 3.46Å; F34-R82 WeakPolarHBondContact CE2-O 3.4Å; F34-L84 HydrophobicContact CD1-CB 4.05Å; F34-L84 HydrophobicContact CD1-CG 4.46Å; F34-L84 HydrophobicContact CE1-CB 3.67Å; F34-L84 HydrophobicContact CE1-CD1 4.08Å; F34-L84 HydrophobicContact CE1-CG 4.15Å; F34-L84 HydrophobicContact CE2-CB 4.42Å; F34-L84 HydrophobicContact CZ-CB 3.88Å; F34-L87 HydrophobicContact CB-CB 4.2Å; F34-L87 HydrophobicContact CB-CD2 4.12Å; F34-L87 HydrophobicContact CD1-CD2 4.39Å
35T86Confident74.3Confident11 Ų1156 Ų567%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-102.5133.3-174.1-46.50000111P33 Y78 V79 A108P33-T35 PolarHBondContact O-N 3.48Å; P33-T35 PolarHBondContact O-OG1 2.9Å; T35-Y78 HydrophobicContact CG2-CD1 4.28Å; T35-V79 CarbonylContact C-O 3.6Å; T35-V79 WeakPolarHBondContact CA-O 3.14Å; T35-A108 HydrophobicContact CG2-CB 3.78Å; T35-A108 WeakPolarHBondContact O-CA 3.47Å; T35-A108 WeakPolarHBondContact O-CB 3.43Å; T35-A108 PolarHBondContact O-N 3.19Å; T35-A108 VanDerWaalsContact O-O 3.09Å
36A88.4Confident75.7Confident0 Ų054 Ų540%030%0.304CS..EExtended strand (participates in β ladder)trans-101.5142.5165.600000111.1Y78 V79 F81 L87 V105 D106A36-Y78 CarbonylContact O-C 3.52Å; A36-Y78 WeakPolarHBondContact O-CA 3.49Å; A36-V79 PolarHBondContact N-O 2.84Å; A36-V79 PolarHBondContact O-N 2.82Å; A36-F81 HydrophobicContact CB-CD2 4.39Å; A36-F81 HydrophobicContact CB-CE2 3.63Å; A36-L87 HydrophobicContact CB-CD1 3.8Å; A36-V105 HydrophobicContact CB-CG1 4.18Å; A36-D106 CarbonylContact C-O 3.43Å; A36-D106 WeakPolarHBondContact CA-O 3.41Å
37Y89.6Confident77.1Confident52 Ų5253.1 Ų53.120%0.20431%0.305CS..EExtended strand (participates in β ladder)trans-91.8125.9166.3172.7-95.1000108.8F76 Y78 V105 D106Y37-F76 HydrophobicContact CD2-CD2 4.49Å; Y37-F76 HydrophobicContact CE2-CB 3.72Å; Y37-F76 AromaticContact CE2-CD2 3.7Å; Y37-F76 HydrophobicContact CE2-CD2 3.7Å; Y37-F76 HydrophobicContact CE2-CE2 4.47Å; Y37-F76 AromaticContact CE2-CG 3.85Å; Y37-F76 HydrophobicContact CE2-CG 3.85Å; Y37-F76 WeakPolarHBondContact OH-CB 3.41Å; Y37-Y78 HydrophobicContact CD2-CD1 4.33Å; Y37-Y78 AromaticContact CD2-CE1 3.76Å; Y37-Y78 HydrophobicContact CD2-CE1 3.76Å; Y37-V105 CarbonylContact O-C 3.59Å; Y37-V105 VanDerWaalsContact O-CA 3.28Å; Y37-V105 WeakPolarHBondContact O-CA 3.28Å; Y37-D106 HydrophobicContact CD1-CB 4.17Å; Y37-D106 PolarHBondContact N-O 3.43Å; Y37-D106 PolarHBondContact O-N 3.34Å
38V89.1Confident78.3Confident0 Ų048.8 Ų48.80%028%0.277CS..EExtended strand (participates in β ladder)trans-117.5113.6174.7-171.20000108.3L41 L50 F54 F76 A77 V79 R104 V105V38-L41 HydrophobicContact CB-CD1 4.22Å; V38-L41 HydrophobicContact CG1-CD1 3.92Å; V38-L41 HydrophobicContact CG1-CD2 3.85Å; V38-L41 HydrophobicContact CG1-CG 3.98Å; V38-L50 HydrophobicContact CG1-CD2 4.2Å; V38-F54 HydrophobicContact CG2-CE2 3.86Å; V38-F54 HydrophobicContact CG2-CZ 3.71Å; V38-F76 CarbonylContact O-C 3.56Å; V38-F76 WeakPolarHBondContact O-CA 3.47Å; V38-F76 WeakPolarHBondContact O-CB 3.29Å; V38-A77 PolarHBondContact N-O 2.77Å; V38-A77 PolarHBondContact O-N 3.18Å; V38-V79 HydrophobicContact CG2-CG2 4Å; V38-R104 CarbonylContact C-O 3.53Å; V38-R104 WeakPolarHBondContact CA-O 3.28Å; V38-V105 HydrophobicContact CG1-CG2 4.4Å; V38-V105 HydrophobicContact CG2-CG1 4.47Å; V38-V105 HydrophobicContact CG2-CG2 4.48Å
39G89.3Confident79.7Confident1 Ų147 Ų471%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-117.7170.7-178.900000113.3L41 R104G39-L41 VanDerWaalsContact C-N 3.26Å; G39-R104 PolarHBondContact N-O 3.35Å; G39-R104 PolarHBondContact O-N 2.87Å
40N87.3Confident80.9Confident88 Ų8845.5 Ų45.547%0.47126%0.258SS..SBendtrans62.233.4-175.1-16141.1000113.4G75 R102N40-G75 PolarHBondContact N-O 3.17Å; N40-R102 WeakPolarHBondContact CB-O 3.24Å; N40-R102 PolarHBondContact ND2-O 3.26Å
41L85.4Confident82.1Confident3 Ų344.7 Ų44.72%0.01625%0.246CC..  trans-78.2141.6175.4-68.6165.9000109.8V38 G39 T45 L50 F73 G75 A77 L98 L103V38-L41 HydrophobicContact CB-CD1 4.22Å; V38-L41 HydrophobicContact CG1-CD1 3.92Å; V38-L41 HydrophobicContact CG1-CD2 3.85Å; V38-L41 HydrophobicContact CG1-CG 3.98Å; G39-L41 VanDerWaalsContact C-N 3.26Å; L41-T45 HydrophobicContact CB-CG2 4.47Å; L41-T45 HydrophobicContact CD1-CG2 4.42Å; L41-T45 HydrophobicContact CD2-CG2 4.08Å; L41-L50 HydrophobicContact CD1-CD1 4.33Å; L41-L50 HydrophobicContact CD1-CD2 3.95Å; L41-L50 HydrophobicContact CD2-CD2 3.77Å; L41-F73 HydrophobicContact CB-CE1 3.59Å; L41-F73 HydrophobicContact CB-CZ 4.1Å; L41-F73 HydrophobicContact CD1-CE1 4.27Å; L41-F73 HydrophobicContact CD1-CZ 3.91Å; L41-G75 PolarHBondContact N-O 3.01Å; L41-G75 WeakPolarHBondContact O-CA 3.33Å; L41-A77 HydrophobicContact CD1-CB 3.7Å; L41-L98 HydrophobicContact CD2-CD2 4.25Å; L41-L103 HydrophobicContact CD2-CD1 4.19Å; L41-L103 HydrophobicContact CD2-CD2 3.42Å; L41-L103 VanDerWaalsContact CD2-CD2 3.42Å; L41-L103 HydrophobicContact CD2-CG 4.43Å; L41-L103 HydrophobicContact CG-CD2 4.21Å
42P81.5Confident83.1Confident6 Ų646.7 Ų46.74%0.03925%0.247CC..  trans-62.9153.5173.118.9-24.7000112S44 T45 F73 F99P42-S44 PolarHBondContact O-N 3.24Å; P42-S44 VanDerWaalsContact O-N 3.13Å; P42-T45 WeakPolarHBondContact CD-OG1 3.45Å; P42-T45 WeakPolarHBondContact CG-OG1 3.1Å; P42-T45 WeakPolarHBondContact O-CB 3.35Å; P42-T45 PolarHBondContact O-N 3.32Å; P42-T45 PolarHBondContact O-OG1 3.41Å; P42-F73 WeakPolarHBondContact O-CD1 3.48Å; P42-F99 HydrophobicContact CG-CB 4.09Å; P42-F99 HydrophobicContact CG-CD2 3.51Å; P42-F99 HydrophobicContact CG-CE2 4.32Å; P42-F99 HydrophobicContact CG-CG 4.13Å
43P77.7Confident83.9Confident79 Ų7944.1 Ų44.151%0.51323%0.228SC..THydrogen-bonded Turntrans-62.6-19.3179.626.4-34.7000113.2
44S80Confident84.6Confident78 Ų7842.4 Ų42.455%0.54522%0.217SC..THydrogen-bonded Turntrans-87.1-1.7176.258.60000114.3P42 I46P42-S44 PolarHBondContact O-N 3.24Å; P42-S44 VanDerWaalsContact O-N 3.13Å; S44-I46 PolarHBondContact O-N 3.03Å
45T82.7Confident84.4Confident3 Ų349 Ų492%0.01825%0.248CC..  trans-68123.3179.4-660000110.8L41 P42 D49 L50L41-T45 HydrophobicContact CB-CG2 4.47Å; L41-T45 HydrophobicContact CD1-CG2 4.42Å; L41-T45 HydrophobicContact CD2-CG2 4.08Å; P42-T45 WeakPolarHBondContact CD-OG1 3.45Å; P42-T45 WeakPolarHBondContact CG-OG1 3.1Å; P42-T45 WeakPolarHBondContact O-CB 3.35Å; P42-T45 PolarHBondContact O-N 3.32Å; P42-T45 PolarHBondContact O-OG1 3.41Å; T45-D49 HydrophobicContact CG2-CB 4.12Å; T45-L50 HydrophobicContact CG2-CD2 4.3Å; T45-L50 HydrophobicContact CG2-CG 4.07Å
46I81.6Confident84.1Confident84 Ų8451.8 Ų51.843%0.43128%0.279SS..  trans-101.5167.7171.456.9162.7000111.5S44 S48 D49 L50S44-I46 PolarHBondContact O-N 3.03Å; I46-S48 PolarHBondContact O-N 3.37Å; I46-S48 VanDerWaalsContact O-N 3.15Å; I46-D49 WeakPolarHBondContact CG1-OD2 3.45Å; I46-D49 PolarHBondContact N-OD2 3.24Å; I46-D49 WeakPolarHBondContact O-CB 3.42Å; I46-D49 PolarHBondContact O-N 3.22Å; I46-L50 PolarHBondContact O-N 2.86Å
47Q85.4Confident83.9Confident103 Ų10352.6 Ų52.648%0.48128%0.283SS..Hα-helixtrans-54.5-36.4177.2-167.5-176.547.100111.9D49 L50 D51 T62 L64Q47-D49 VanDerWaalsContact C-N 3.33Å; Q47-D49 PolarHBondContact O-N 3.16Å; Q47-L50 PolarHBondContact O-N 3.4Å; Q47-D51 PolarHBondContact O-N 3.02Å; Q47-D51 VanDerWaalsContact O-N 3.08Å; Q47-T62 HydrophobicContact CG-CG2 3.76Å; Q47-T62 PolarHBondContact NE2-O 3.1Å; Q47-L64 HydrophobicContact CB-CD1 3.94Å
48S85Confident83.7Confident27 Ų2754.2 Ų54.219%0.18930%0.296CS..Hα-helixtrans-68.9-28.3-179.8-58.30000113.4I46 D51 R52 K217I46-S48 PolarHBondContact O-N 3.37Å; I46-S48 VanDerWaalsContact O-N 3.15Å; S48-D51 PolarHBondContact O-N 3.31Å; S48-R52 WeakPolarHBondContact O-CG 3.31Å; S48-R52 PolarHBondContact O-N 3.29Å; S48-K217 PolarHBondContact OG-NZ 3.21Å
49D85.2Confident83.6Confident35 Ų3556.1 Ų56.119%0.18731%0.305CS..Hα-helixtrans-69.6-40.2175.6-64.1-50.9000110.7T45 I46 Q47 D51 R52 F53T45-D49 HydrophobicContact CG2-CB 4.12Å; I46-D49 WeakPolarHBondContact CG1-OD2 3.45Å; I46-D49 PolarHBondContact N-OD2 3.24Å; I46-D49 WeakPolarHBondContact O-CB 3.42Å; I46-D49 PolarHBondContact O-N 3.22Å; Q47-D49 VanDerWaalsContact C-N 3.33Å; Q47-D49 PolarHBondContact O-N 3.16Å; D49-D51 VanDerWaalsContact C-N 3.33Å; D49-R52 PolarHBondContact O-N 3.22Å; D49-F53 WeakPolarHBondContact O-CB 3.32Å; D49-F53 PolarHBondContact O-N 3.4Å
50L85.5Confident83.5Confident0 Ų060.1 Ų60.10%033%0.329CS..Hα-helixtrans-64.1-41.4174.7-66.1174.7000110.9V38 L41 T45 I46 Q47 R52 F53 F54 T62 L64 A77 V79V38-L50 HydrophobicContact CG1-CD2 4.2Å; L41-L50 HydrophobicContact CD1-CD1 4.33Å; L41-L50 HydrophobicContact CD1-CD2 3.95Å; L41-L50 HydrophobicContact CD2-CD2 3.77Å; T45-L50 HydrophobicContact CG2-CD2 4.3Å; T45-L50 HydrophobicContact CG2-CG 4.07Å; I46-L50 PolarHBondContact O-N 2.86Å; Q47-L50 PolarHBondContact O-N 3.4Å; L50-R52 PolarHBondContact O-N 3.3Å; L50-F53 PolarHBondContact O-N 3.48Å; L50-F54 HydrophobicContact CB-CD2 4.48Å; L50-F54 HydrophobicContact CD2-CE2 4.28Å; L50-F54 WeakPolarHBondContact O-CB 3.46Å; L50-F54 WeakPolarHBondContact O-CD2 3.46Å; L50-F54 PolarHBondContact O-N 2.88Å; L50-T62 HydrophobicContact CB-CG2 4.32Å; L50-T62 HydrophobicContact CD1-CG2 3.6Å; L50-L64 HydrophobicContact CD1-CD2 3.97Å; L50-A77 HydrophobicContact CD1-CB 3.46Å; L50-A77 VanDerWaalsContact CD1-CB 3.46Å; L50-V79 HydrophobicContact CD1-CG2 4.45Å
51D85.7Confident83.4Confident91 Ų9158 Ų5849%0.48732%0.324SS..Hα-helixtrans-61.7-43.8178.1-151-113000112.1Q47 S48 D49 F54 E55Q47-D51 PolarHBondContact O-N 3.02Å; Q47-D51 VanDerWaalsContact O-N 3.08Å; S48-D51 PolarHBondContact O-N 3.31Å; D49-D51 VanDerWaalsContact C-N 3.33Å; D51-F54 CarbonylContact O-C 3.6Å; D51-F54 PolarHBondContact O-N 2.9Å; D51-E55 PolarHBondContact O-N 3.02Å
52R83.3Confident83.5Confident179 Ų17958.6 Ų58.668%0.67533%0.328SS*.Hα-helixtrans-67.3-38.9173.5-73.6178.1178-169.80.3112.8S48 D49 L50 F54 E55S48-R52 WeakPolarHBondContact O-CG 3.31Å; S48-R52 PolarHBondContact O-N 3.29Å; D49-R52 PolarHBondContact O-N 3.22Å; L50-R52 PolarHBondContact O-N 3.3Å; R52-F54 VanDerWaalsContact C-N 3.25Å; R52-F54 PolarHBondContact O-N 3.14Å; R52-E55 VanDerWaalsContact O-CB 3.26Å; R52-E55 WeakPolarHBondContact O-CB 3.23Å; R52-E55 PolarHBondContact O-N 2.97Å
53F81.4Confident83.8Confident27 Ų2764.3 Ų64.312%0.11835%0.349CS..Hα-helixtrans-66.1-34.4-179.9-177.9-94.2000111.5D49 L50 Y93 N96 L98 L103D49-F53 WeakPolarHBondContact O-CB 3.32Å; D49-F53 PolarHBondContact O-N 3.4Å; L50-F53 PolarHBondContact O-N 3.48Å; F53-Y93 HydrophobicContact CE1-CD1 4.06Å; F53-Y93 HydrophobicContact CE1-CG 4.08Å; F53-Y93 AromaticContact CZ-CD1 3.9Å; F53-Y93 HydrophobicContact CZ-CD1 3.9Å; F53-Y93 HydrophobicContact CZ-CG 4.27Å; F53-N96 HydrophobicContact CE2-CB 3.91Å; F53-N96 VanDerWaalsContact CE2-ND2 3.31Å; F53-N96 WeakPolarHBondContact CE2-ND2 3.32Å; F53-N96 HydrophobicContact CZ-CB 3.63Å; F53-L98 HydrophobicContact CD2-CD1 3.85Å; F53-L98 HydrophobicContact CE2-CD1 4.5Å; F53-L103 HydrophobicContact CD1-CD1 4.3Å; F53-L103 HydrophobicContact CD2-CD1 4.21Å; F53-L103 HydrophobicContact CE1-CD1 3.93Å; F53-L103 HydrophobicContact CE2-CD1 3.82Å; F53-L103 HydrophobicContact CG-CD1 4.43Å; F53-L103 HydrophobicContact CZ-CD1 3.68Å
54F83Confident84.4Confident1 Ų162 Ų620%0.00433%0.332CS..THydrogen-bonded Turntrans-99.229.1175.1-65.6-60.5000112.3V38 L50 D51 R52 G56 L57 I59 V79 F81 A90 V105V38-F54 HydrophobicContact CG2-CE2 3.86Å; V38-F54 HydrophobicContact CG2-CZ 3.71Å; L50-F54 HydrophobicContact CB-CD2 4.48Å; L50-F54 HydrophobicContact CD2-CE2 4.28Å; L50-F54 WeakPolarHBondContact O-CB 3.46Å; L50-F54 WeakPolarHBondContact O-CD2 3.46Å; L50-F54 PolarHBondContact O-N 2.88Å; D51-F54 CarbonylContact O-C 3.6Å; D51-F54 PolarHBondContact O-N 2.9Å; R52-F54 VanDerWaalsContact C-N 3.25Å; R52-F54 PolarHBondContact O-N 3.14Å; F54-G56 PolarHBondContact O-N 3.26Å; F54-L57 HydrophobicContact CB-CB 4.42Å; F54-L57 HydrophobicContact CB-CD1 3.94Å; F54-L57 HydrophobicContact CB-CG 4.31Å; F54-L57 HydrophobicContact CD1-CD1 3.57Å; F54-L57 HydrophobicContact CE1-CD1 4.49Å; F54-L57 HydrophobicContact CG-CD1 4.11Å; F54-L57 WeakPolarHBondContact O-CB 3.36Å; F54-L57 PolarHBondContact O-N 3.41Å; F54-I59 HydrophobicContact CB-CD1 3.82Å; F54-V79 HydrophobicContact CD2-CG2 4.37Å; F54-V79 HydrophobicContact CE2-CG2 3.99Å; F54-F81 HydrophobicContact CD1-CZ 4.42Å; F54-F81 HydrophobicContact CG-CZ 4.44Å; F54-A90 HydrophobicContact CD1-CB 4.31Å; F54-A90 HydrophobicContact CE1-CB 3.93Å; F54-V105 HydrophobicContact CZ-CG2 4.44Å
55E79.6Confident84.8Confident160 Ų16059.7 Ų59.775%0.74831%0.314SS*.THydrogen-bonded Turntrans-57.5123176.4-175.7173-16300109.9D51 R52D51-E55 PolarHBondContact O-N 3.02Å; R52-E55 VanDerWaalsContact O-CB 3.26Å; R52-E55 WeakPolarHBondContact O-CB 3.23Å; R52-E55 PolarHBondContact O-N 2.97Å
56G78.5Confident85Confident70 Ų7064.5 Ų64.572%0.72233%0.333SS*.THydrogen-bonded Turntrans100.6-1.1-17500000115.3F54F54-G56 PolarHBondContact O-N 3.26Å
57L84.8Confident85.2Confident18 Ų1863.4 Ų63.49%0.09433%0.328CS..SBendtrans-103.3148.9171.8-52.6-174.2000111.4F54 I59 F81 R89 A90F54-L57 HydrophobicContact CB-CB 4.42Å; F54-L57 HydrophobicContact CB-CD1 3.94Å; F54-L57 HydrophobicContact CB-CG 4.31Å; F54-L57 HydrophobicContact CD1-CD1 3.57Å; F54-L57 HydrophobicContact CE1-CD1 4.49Å; F54-L57 HydrophobicContact CG-CD1 4.11Å; F54-L57 WeakPolarHBondContact O-CB 3.36Å; F54-L57 PolarHBondContact O-N 3.41Å; L57-I59 PolarHBondContact O-N 3.01Å; L57-I59 VanDerWaalsContact O-N 3.08Å; L57-F81 HydrophobicContact CB-CD1 4.08Å; L57-F81 HydrophobicContact CB-CE1 3.71Å; L57-F81 HydrophobicContact CD1-CE1 3.7Å; L57-F81 HydrophobicContact CD1-CZ 3.98Å; L57-F81 HydrophobicContact CG-CE1 4.37Å; L57-R89 HydrophobicContact CD2-CB 3.61Å; L57-R89 HydrophobicContact CD2-CG 4.43Å; L57-A90 HydrophobicContact CD1-CB 3.87Å
58N85.3Confident85Confident86 Ų8669.9 Ų69.946%0.4635%0.348SS..  trans-85.480.7179.9-70.7-5.1000111F81 R82 D83 S86N58-F81 CarbonylContact O-C 3.37Å; N58-F81 WeakPolarHBondContact O-CA 3.34Å; N58-R82 HydrophobicContact CB-CB 4.02Å; N58-R82 PolarHBondContact O-N 2.82Å; N58-D83 PolarHBondContact ND2-OD2 2.89Å; N58-S86 PolarHBondContact N-OG 3.37Å
59I87.3Confident84.7Confident40 Ų4075.8 Ų75.821%0.20538%0.377CS..EExtended strand (participates in β ladder)trans-74128.7176.1-59.4166.1000110F54 L57 T62 V79 E80 F81F54-I59 HydrophobicContact CB-CD1 3.82Å; L57-I59 PolarHBondContact O-N 3.01Å; L57-I59 VanDerWaalsContact O-N 3.08Å; I59-T62 WeakPolarHBondContact CG2-OG1 3.5Å; I59-V79 HydrophobicContact CB-CG1 4.47Å; I59-V79 HydrophobicContact CD1-CG1 4.14Å; I59-V79 HydrophobicContact CG1-CG1 3.85Å; I59-V79 HydrophobicContact CG2-CG1 3.85Å; I59-E80 CarbonylContact C-O 3.59Å; I59-F81 HydrophobicContact CG1-CD1 3.95Å; I59-F81 HydrophobicContact CG1-CE1 3.63Å
60T86.7Confident84.4Confident84 Ų8478.6 Ų78.652%0.51540%0.396SS..EExtended strand (participates in β ladder)trans-90.6-47.3171.8-58.80000111E80 R82T60-E80 PolarHBondContact N-O 2.79Å; T60-R82 PolarHBondContact OG1-N 3.41Å
61A85.2Confident84.1Confident44 Ų4483.6 Ų83.636%0.36442%0.423SS..EExtended strand (participates in β ladder)trans-153.4141.2-178.900000111.4E80A61-E80 HydrophobicContact CB-CB 4.26Å; A61-E80 PolarHBondContact N-O 3.41Å; A61-E80 WeakPolarHBondContact O-CB 3.44Å; A61-E80 PolarHBondContact O-N 3.27Å
62T88.8Confident83.8Confident15 Ų1585.4 Ų85.49%0.09243%0.429CS..EExtended strand (participates in β ladder)trans-117.4123.2174.5-64.10000109.8Q47 L50 I59 V79Q47-T62 HydrophobicContact CG-CG2 3.76Å; Q47-T62 PolarHBondContact NE2-O 3.1Å; L50-T62 HydrophobicContact CB-CG2 4.32Å; L50-T62 HydrophobicContact CD1-CG2 3.6Å; I59-T62 WeakPolarHBondContact CG2-OG1 3.5Å; T62-V79 HydrophobicContact CG2-CG2 4.25Å
63R87.9Confident83.8Confident127 Ų12777.6 Ų77.648%0.47940%0.399SS..EExtended strand (participates in β ladder)trans-116.4110.5-178.2179.7-168.3-178.412813.4110.9A77 Y78 R112R63-A77 CarbonylContact O-C 3.48Å; R63-A77 WeakPolarHBondContact O-CA 3.46Å; R63-Y78 PolarHBondContact N-O 3.5Å; R63-Y78 PolarHBondContact O-N 2.82Å; R63-R112 VanDerWaalsContact CZ-NH2 3.29Å; R63-R112 VanDerWaalsContact NH2-NH2 3.13Å
64L88.6Confident84Confident29 Ų2982.1 Ų82.115%0.15242%0.419CS..EExtended strand (participates in β ladder)trans-84.5142.8172.2-66.7149.8000109.8Q47 L50 Y66 F73 A77Q47-L64 HydrophobicContact CB-CD1 3.94Å; L50-L64 HydrophobicContact CD1-CD2 3.97Å; L64-Y66 HydrophobicContact CB-CD2 4.36Å; L64-Y66 HydrophobicContact CB-CE2 3.47Å; L64-Y66 VanDerWaalsContact CB-CE2 3.47Å; L64-Y66 WeakPolarHBondContact CD1-OH 3.41Å; L64-F73 HydrophobicContact CB-CD2 4.3Å; L64-F73 HydrophobicContact CB-CE2 3.81Å; L64-F73 HydrophobicContact CD2-CD2 4.23Å; L64-F73 HydrophobicContact CD2-CE2 3.37Å; L64-F73 HydrophobicContact CD2-CZ 3.55Å; L64-F73 HydrophobicContact CG-CE2 4.21Å; L64-A77 HydrophobicContact CD2-CB 3.94Å
65V88.6Confident84.1Confident30 Ų3082.8 Ų82.818%0.18243%0.426CS..EExtended strand (participates in β ladder)trans-107.3119.7176.9-178.90000110.3F73 K74 F76 Y78V65-F73 VanDerWaalsContact O-CD2 3.3Å; V65-F73 WeakPolarHBondContact O-CD2 3.49Å; V65-K74 HydrophobicContact CG1-CB 4.32Å; V65-K74 HydrophobicContact CG1-CD 4.16Å; V65-K74 WeakPolarHBondContact O-CB 3.32Å; V65-K74 PolarHBondContact O-N 3.22Å; V65-F76 HydrophobicContact CB-CD2 3.9Å; V65-F76 HydrophobicContact CB-CE2 3.49Å; V65-F76 VanDerWaalsContact CB-CE2 3.49Å; V65-F76 HydrophobicContact CB-CZ 3.86Å; V65-F76 HydrophobicContact CG1-CE1 4.41Å; V65-F76 HydrophobicContact CG1-CE2 3.71Å; V65-F76 HydrophobicContact CG1-CZ 3.61Å; V65-F76 HydrophobicContact CG2-CD2 3.85Å; V65-F76 HydrophobicContact CG2-CE2 3.42Å; V65-F76 VanDerWaalsContact CG2-CE2 3.42Å; V65-F76 HydrophobicContact CG2-CZ 4.23Å; V65-F76 PolarHBondContact N-O 3.27Å; V65-Y78 HydrophobicContact CG2-CD2 3.97Å; V65-Y78 HydrophobicContact CG2-CE2 3.79Å
66Y87.1Confident84.5Confident105 Ų10576.6 Ų76.641%0.41240%0.397SS..EExtended strand (participates in β ladder)trans-106.4149.5176.4-58.3-90.8000110.2L64 E72 F73L64-Y66 HydrophobicContact CB-CD2 4.36Å; L64-Y66 HydrophobicContact CB-CE2 3.47Å; L64-Y66 VanDerWaalsContact CB-CE2 3.47Å; L64-Y66 WeakPolarHBondContact CD1-OH 3.41Å; Y66-E72 CarbonylContact C-O 3.48Å; Y66-E72 WeakPolarHBondContact CA-O 3.27Å; Y66-F73 HydrophobicContact CD1-CB 3.93Å; Y66-F73 HydrophobicContact CD1-CD2 4.11Å; Y66-F73 HydrophobicContact CE1-CB 3.82Å; Y66-F73 AromaticContact CE1-CD2 3.84Å; Y66-F73 HydrophobicContact CE1-CD2 3.84Å; Y66-F73 HydrophobicContact CE1-CG 4.25Å
67D85.5Confident85.1Confident60 Ų6073.2 Ų73.232%0.32136%0.362SS..  trans-71136.1170.1-162.7-81.9000109.8N69 D71 E72D67-N69 PolarHBondContact O-N 3.26Å; D67-N69 WeakPolarHBondContact OD1-CB 3.38Å; D67-N69 PolarHBondContact OD1-N 3.25Å; D67-D71 WeakPolarHBondContact O-CA 3.49Å; D67-D71 PolarHBondContact O-N 3.35Å; D67-D71 VanDerWaalsContact O-N 3.12Å; D67-E72 PolarHBondContact N-O 3.36Å
68R81.1Confident85.3Confident239 Ų23976.3 Ų76.390%0.90237%0.373SS*.THydrogen-bonded Turntrans-74.4-18.1-174.3-68.7-174.5-119.5-178.61113.2
69N78.7Confident85.5Confident151 Ų15172.2 Ų72.281%0.80735%0.351SS*.THydrogen-bonded Turntrans-98.4-37.3-172.2-61.7-5.9000111.5D67D67-N69 PolarHBondContact O-N 3.26Å; D67-N69 WeakPolarHBondContact OD1-CB 3.38Å; D67-N69 PolarHBondContact OD1-N 3.25Å
70T80.1Confident85.6Confident95 Ų9573.5 Ų73.558%0.58336%0.356SS*.THydrogen-bonded Turntrans-105.8-7.2-176.757.20000113.6E72T70-E72 PolarHBondContact O-N 3.4Å; T70-E72 VanDerWaalsContact OG1-CB 3.29Å; T70-E72 WeakPolarHBondContact OG1-CB 3.45Å; T70-E72 PolarHBondContact OG1-N 3.44Å
71D79.4Confident85.6Confident105 Ų10569.6 Ų69.656%0.56133%0.333SS*.  trans54.714.4-167.7-148.1-121.1000113.2D67D67-D71 WeakPolarHBondContact O-CA 3.49Å; D67-D71 PolarHBondContact O-N 3.35Å; D67-D71 VanDerWaalsContact O-N 3.12Å
72E79.1Confident85.6Confident129 Ų12976.5 Ų76.560%0.60335%0.349SS*.  trans-80.3139.9-178.3-168.5173.78500109.9Y66 D67 T70 K74Y66-E72 CarbonylContact C-O 3.48Å; Y66-E72 WeakPolarHBondContact CA-O 3.27Å; D67-E72 PolarHBondContact N-O 3.36Å; T70-E72 PolarHBondContact O-N 3.4Å; T70-E72 VanDerWaalsContact OG1-CB 3.29Å; T70-E72 WeakPolarHBondContact OG1-CB 3.45Å; T70-E72 PolarHBondContact OG1-N 3.44Å; E72-K74 PolarHBondContact O-N 2.96Å
73F83.8Confident85.5Confident14 Ų1478.8 Ų78.86%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-64.1124176.3-179.5-120.8000110.6L41 P42 L64 V65 Y66 G75 F76L41-F73 HydrophobicContact CB-CE1 3.59Å; L41-F73 HydrophobicContact CB-CZ 4.1Å; L41-F73 HydrophobicContact CD1-CE1 4.27Å; L41-F73 HydrophobicContact CD1-CZ 3.91Å; P42-F73 WeakPolarHBondContact O-CD1 3.48Å; L64-F73 HydrophobicContact CB-CD2 4.3Å; L64-F73 HydrophobicContact CB-CE2 3.81Å; L64-F73 HydrophobicContact CD2-CD2 4.23Å; L64-F73 HydrophobicContact CD2-CE2 3.37Å; L64-F73 HydrophobicContact CD2-CZ 3.55Å; L64-F73 HydrophobicContact CG-CE2 4.21Å; V65-F73 VanDerWaalsContact O-CD2 3.3Å; V65-F73 WeakPolarHBondContact O-CD2 3.49Å; Y66-F73 HydrophobicContact CD1-CB 3.93Å; Y66-F73 HydrophobicContact CD1-CD2 4.11Å; Y66-F73 HydrophobicContact CE1-CB 3.82Å; Y66-F73 AromaticContact CE1-CD2 3.84Å; Y66-F73 HydrophobicContact CE1-CD2 3.84Å; Y66-F73 HydrophobicContact CE1-CG 4.25Å; F73-G75 VanDerWaalsContact CE1-CA 3.45Å; F73-G75 PolarHBondContact O-N 3.49Å; F73-F76 VanDerWaalsContact CE2-O 3.24Å; F73-F76 WeakPolarHBondContact CE2-O 3.46Å; F73-F76 WeakPolarHBondContact CZ-O 3.25Å
74K84.2Confident85.3Confident123 Ų12375.9 Ų75.954%0.53536%0.355SS..EExtended strand (participates in β ladder)trans-71.4-2.7-174.4-158.6170.8168.9-170.90113.5V65 E72 F76V65-K74 HydrophobicContact CG1-CB 4.32Å; V65-K74 HydrophobicContact CG1-CD 4.16Å; V65-K74 WeakPolarHBondContact O-CB 3.32Å; V65-K74 PolarHBondContact O-N 3.22Å; E72-K74 PolarHBondContact O-N 2.96Å; K74-F76 HydrophobicContact CB-CD1 4.05Å; K74-F76 HydrophobicContact CB-CE1 3.79Å; K74-F76 HydrophobicContact CB-CZ 4.47Å; K74-F76 HydrophobicContact CD-CD1 4.3Å; K74-F76 HydrophobicContact CD-CE1 3.27Å; K74-F76 HydrophobicContact CD-CZ 3.65Å; K74-F76 HydrophobicContact CG-CD1 3.99Å; K74-F76 HydrophobicContact CG-CE1 3.41Å; K74-F76 VanDerWaalsContact CG-CE1 3.41Å; K74-F76 HydrophobicContact CG-CZ 4.23Å
75G85.1Confident85.1Confident15 Ų1579.3 Ų79.316%0.15537%0.373CS..EExtended strand (participates in β ladder)trans82.418.4178.800000114.2N40 L41 F73N40-G75 PolarHBondContact N-O 3.17Å; L41-G75 PolarHBondContact N-O 3.01Å; L41-G75 WeakPolarHBondContact O-CA 3.33Å; F73-G75 VanDerWaalsContact CE1-CA 3.45Å; F73-G75 PolarHBondContact O-N 3.49Å
76F89.2Confident85Confident29 Ų2978.1 Ų78.113%0.12737%0.366CS..EExtended strand (participates in β ladder)trans-147.2152.9172.965.6-93.9000113.9Y37 V38 V65 F73 K74 Y78Y37-F76 HydrophobicContact CD2-CD2 4.49Å; Y37-F76 HydrophobicContact CE2-CB 3.72Å; Y37-F76 AromaticContact CE2-CD2 3.7Å; Y37-F76 HydrophobicContact CE2-CD2 3.7Å; Y37-F76 HydrophobicContact CE2-CE2 4.47Å; Y37-F76 AromaticContact CE2-CG 3.85Å; Y37-F76 HydrophobicContact CE2-CG 3.85Å; Y37-F76 WeakPolarHBondContact OH-CB 3.41Å; V38-F76 CarbonylContact O-C 3.56Å; V38-F76 WeakPolarHBondContact O-CA 3.47Å; V38-F76 WeakPolarHBondContact O-CB 3.29Å; V65-F76 HydrophobicContact CB-CD2 3.9Å; V65-F76 HydrophobicContact CB-CE2 3.49Å; V65-F76 VanDerWaalsContact CB-CE2 3.49Å; V65-F76 HydrophobicContact CB-CZ 3.86Å; V65-F76 HydrophobicContact CG1-CE1 4.41Å; V65-F76 HydrophobicContact CG1-CE2 3.71Å; V65-F76 HydrophobicContact CG1-CZ 3.61Å; V65-F76 HydrophobicContact CG2-CD2 3.85Å; V65-F76 HydrophobicContact CG2-CE2 3.42Å; V65-F76 VanDerWaalsContact CG2-CE2 3.42Å; V65-F76 HydrophobicContact CG2-CZ 4.23Å; V65-F76 PolarHBondContact N-O 3.27Å; F73-F76 VanDerWaalsContact CE2-O 3.24Å; F73-F76 WeakPolarHBondContact CE2-O 3.46Å; F73-F76 WeakPolarHBondContact CZ-O 3.25Å; K74-F76 HydrophobicContact CB-CD1 4.05Å; K74-F76 HydrophobicContact CB-CE1 3.79Å; K74-F76 HydrophobicContact CB-CZ 4.47Å; K74-F76 HydrophobicContact CD-CD1 4.3Å; K74-F76 HydrophobicContact CD-CE1 3.27Å; K74-F76 HydrophobicContact CD-CZ 3.65Å; K74-F76 HydrophobicContact CG-CD1 3.99Å; K74-F76 HydrophobicContact CG-CE1 3.41Å; K74-F76 VanDerWaalsContact CG-CE1 3.41Å; K74-F76 HydrophobicContact CG-CZ 4.23Å; F76-Y78 HydrophobicContact CD2-CE2 4.04Å; F76-Y78 AromaticContact CE2-CE2 3.84Å; F76-Y78 HydrophobicContact CE2-CE2 3.84Å
77A89.7Confident84.8Confident0 Ų073.1 Ų73.10%035%0.347CS..EExtended strand (participates in β ladder)trans-134.9157.7-178.800000111V38 L41 L50 R63 L64V38-A77 PolarHBondContact N-O 2.77Å; V38-A77 PolarHBondContact O-N 3.18Å; L41-A77 HydrophobicContact CD1-CB 3.7Å; L50-A77 HydrophobicContact CD1-CB 3.46Å; L50-A77 VanDerWaalsContact CD1-CB 3.46Å; R63-A77 CarbonylContact O-C 3.48Å; R63-A77 WeakPolarHBondContact O-CA 3.46Å; L64-A77 HydrophobicContact CD2-CB 3.94Å
78Y90.3Very high84.8Confident82 Ų8271.7 Ų71.732%0.32234%0.343SS..EExtended strand (participates in β ladder)trans-113.6126.8168.3-63-84.7000108.5T35 A36 Y37 R63 V65 F76 A108T35-Y78 HydrophobicContact CG2-CD1 4.28Å; A36-Y78 CarbonylContact O-C 3.52Å; A36-Y78 WeakPolarHBondContact O-CA 3.49Å; Y37-Y78 HydrophobicContact CD2-CD1 4.33Å; Y37-Y78 AromaticContact CD2-CE1 3.76Å; Y37-Y78 HydrophobicContact CD2-CE1 3.76Å; R63-Y78 PolarHBondContact N-O 3.5Å; R63-Y78 PolarHBondContact O-N 2.82Å; V65-Y78 HydrophobicContact CG2-CD2 3.97Å; V65-Y78 HydrophobicContact CG2-CE2 3.79Å; F76-Y78 HydrophobicContact CD2-CE2 4.04Å; F76-Y78 AromaticContact CE2-CE2 3.84Å; F76-Y78 HydrophobicContact CE2-CE2 3.84Å; Y78-A108 HydrophobicContact CD1-CB 3.8Å; Y78-A108 HydrophobicContact CE1-CB 4.05Å
79V89.3Confident85Confident0 Ų066.3 Ų66.30%032%0.323CS..EExtended strand (participates in β ladder)trans-114.2116.7177.9-175.40000107.5T35 A36 V38 L50 F54 I59 T62 F81T35-V79 CarbonylContact C-O 3.6Å; T35-V79 WeakPolarHBondContact CA-O 3.14Å; A36-V79 PolarHBondContact N-O 2.84Å; A36-V79 PolarHBondContact O-N 2.82Å; V38-V79 HydrophobicContact CG2-CG2 4Å; L50-V79 HydrophobicContact CD1-CG2 4.45Å; F54-V79 HydrophobicContact CD2-CG2 4.37Å; F54-V79 HydrophobicContact CE2-CG2 3.99Å; I59-V79 HydrophobicContact CB-CG1 4.47Å; I59-V79 HydrophobicContact CD1-CG1 4.14Å; I59-V79 HydrophobicContact CG1-CG1 3.85Å; I59-V79 HydrophobicContact CG2-CG1 3.85Å; T62-V79 HydrophobicContact CG2-CG2 4.25Å; V79-F81 HydrophobicContact CB-CE2 4.14Å; V79-F81 HydrophobicContact CB-CZ 4.09Å; V79-F81 HydrophobicContact CG1-CD1 4.42Å; V79-F81 HydrophobicContact CG1-CE1 3.78Å; V79-F81 HydrophobicContact CG1-CE2 3.92Å; V79-F81 HydrophobicContact CG1-CZ 3.5Å; V79-F81 VanDerWaalsContact CG1-CZ 3.5Å
80E88.4Confident85.3Confident67 Ų6759.1 Ų59.131%0.31328%0.284SS..EExtended strand (participates in β ladder)trans-90.5126.8176.4-175.1177.6172.800109.1P33 I59 T60 A61P33-E80 HydrophobicContact CB-CG 4.02Å; P33-E80 WeakPolarHBondContact CB-OE1 3.46Å; I59-E80 CarbonylContact C-O 3.59Å; T60-E80 PolarHBondContact N-O 2.79Å; A61-E80 HydrophobicContact CB-CB 4.26Å; A61-E80 PolarHBondContact N-O 3.41Å; A61-E80 WeakPolarHBondContact O-CB 3.44Å; A61-E80 PolarHBondContact O-N 3.27Å
81F88Confident85.4Confident3 Ų355 Ų551%0.01326%0.259CS..EExtended strand (participates in β ladder)trans-107.1150177.3-61-77.3000111.1F34 A36 F54 L57 N58 I59 V79 L87 A90F34-F81 HydrophobicContact CB-CB 4.25Å; F34-F81 PolarHBondContact O-N 3.41Å; A36-F81 HydrophobicContact CB-CD2 4.39Å; A36-F81 HydrophobicContact CB-CE2 3.63Å; F54-F81 HydrophobicContact CD1-CZ 4.42Å; F54-F81 HydrophobicContact CG-CZ 4.44Å; L57-F81 HydrophobicContact CB-CD1 4.08Å; L57-F81 HydrophobicContact CB-CE1 3.71Å; L57-F81 HydrophobicContact CD1-CE1 3.7Å; L57-F81 HydrophobicContact CD1-CZ 3.98Å; L57-F81 HydrophobicContact CG-CE1 4.37Å; N58-F81 CarbonylContact O-C 3.37Å; N58-F81 WeakPolarHBondContact O-CA 3.34Å; I59-F81 HydrophobicContact CG1-CD1 3.95Å; I59-F81 HydrophobicContact CG1-CE1 3.63Å; V79-F81 HydrophobicContact CB-CE2 4.14Å; V79-F81 HydrophobicContact CB-CZ 4.09Å; V79-F81 HydrophobicContact CG1-CD1 4.42Å; V79-F81 HydrophobicContact CG1-CE1 3.78Å; V79-F81 HydrophobicContact CG1-CE2 3.92Å; V79-F81 HydrophobicContact CG1-CZ 3.5Å; V79-F81 VanDerWaalsContact CG1-CZ 3.5Å; F81-L87 HydrophobicContact CD2-CB 4.3Å; F81-L87 HydrophobicContact CD2-CD1 4.16Å; F81-L87 HydrophobicContact CE2-CD1 4.4Å; F81-A90 HydrophobicContact CE2-CB 3.74Å; F81-A90 HydrophobicContact CZ-CB 3.66Å
82R85.4Confident85.6Confident188 Ų18857.3 Ų57.371%0.70927%0.266SS*.SBendtrans-74.5-34.4174-174.7176.3-179.6170-0112.2F34 N58 T60F34-R82 WeakPolarHBondContact CD2-O 3.46Å; F34-R82 WeakPolarHBondContact CE2-O 3.4Å; N58-R82 HydrophobicContact CB-CB 4.02Å; N58-R82 PolarHBondContact O-N 2.82Å; T60-R82 PolarHBondContact OG1-N 3.41Å
83D85Confident85.6Confident63 Ų6355 Ų5534%0.33725%0.253SS..SBendtrans-118.3144.9-170.6-66.2-81.4000111.8N58 D85 S86 L87N58-D83 PolarHBondContact ND2-OD2 2.89Å; D83-D85 VanDerWaalsContact C-N 3.3Å; D83-D85 PolarHBondContact O-N 2.8Å; D83-S86 WeakPolarHBondContact O-CB 3.34Å; D83-S86 PolarHBondContact O-N 3.12Å; D83-L87 PolarHBondContact O-N 3.11Å
84L83.7Confident85.4Confident67 Ų6756.9 Ų56.935%0.35126%0.263SS..Hα-helixtrans-64.3-36.7172.6-176.8160.2000111.4L28 F34 S86 L87 A88L28-L84 HydrophobicContact CB-CD1 4.22Å; L28-L84 HydrophobicContact CB-CG 4.37Å; L28-L84 HydrophobicContact CD1-CD2 3.81Å; L28-L84 HydrophobicContact CD1-CG 4.48Å; F34-L84 HydrophobicContact CD1-CB 4.05Å; F34-L84 HydrophobicContact CD1-CG 4.46Å; F34-L84 HydrophobicContact CE1-CB 3.67Å; F34-L84 HydrophobicContact CE1-CD1 4.08Å; F34-L84 HydrophobicContact CE1-CG 4.15Å; F34-L84 HydrophobicContact CE2-CB 4.42Å; F34-L84 HydrophobicContact CZ-CB 3.88Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 2.96Å; L84-L87 WeakPolarHBondContact O-CB 3.45Å; L84-L87 PolarHBondContact O-N 3.38Å; L84-L87 VanDerWaalsContact O-N 3.13Å; L84-A88 PolarHBondContact O-N 3.39Å
85D85Confident85Confident100 Ų10052.8 Ų52.854%0.53526%0.256SS..Hα-helixtrans-59-41.1175.4-170.3-98.3000111.1D83 L87 A88 R89D83-D85 VanDerWaalsContact C-N 3.3Å; D83-D85 PolarHBondContact O-N 2.8Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 2.99Å; D85-A88 PolarHBondContact O-N 3.47Å; D85-R89 WeakPolarHBondContact O-CG 3.43Å; D85-R89 PolarHBondContact O-N 2.56Å; D85-R89 WeakPolarHBondContact OD1-CD 3.39Å
86S85.9Confident84.6Confident6 Ų655.8 Ų55.84%0.04227%0.268CS..Hα-helixtrans-62.1-41.3176.1-68.80000112N58 D83 L84 R89 A90N58-S86 PolarHBondContact N-OG 3.37Å; D83-S86 WeakPolarHBondContact O-CB 3.34Å; D83-S86 PolarHBondContact O-N 3.12Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 2.96Å; S86-R89 PolarHBondContact O-N 2.87Å; S86-A90 WeakPolarHBondContact O-CB 3.27Å; S86-A90 PolarHBondContact O-N 3.21Å
87L84.7Confident83.9Confident0 Ų059.7 Ų59.70%029%0.287CS..Hα-helixtrans-64.2-42.7174.6178.966.7000112.1L28 P29 F34 A36 F81 D83 L84 D85 A90 L91 V107L28-L87 HydrophobicContact CD2-CD2 3.97Å; L28-L87 HydrophobicContact CD2-CG 4.19Å; P29-L87 HydrophobicContact CG-CD2 3.98Å; F34-L87 HydrophobicContact CB-CB 4.2Å; F34-L87 HydrophobicContact CB-CD2 4.12Å; F34-L87 HydrophobicContact CD1-CD2 4.39Å; A36-L87 HydrophobicContact CB-CD1 3.8Å; F81-L87 HydrophobicContact CD2-CB 4.3Å; F81-L87 HydrophobicContact CD2-CD1 4.16Å; F81-L87 HydrophobicContact CE2-CD1 4.4Å; D83-L87 PolarHBondContact O-N 3.11Å; L84-L87 WeakPolarHBondContact O-CB 3.45Å; L84-L87 PolarHBondContact O-N 3.38Å; L84-L87 VanDerWaalsContact O-N 3.13Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 2.99Å; L87-A90 WeakPolarHBondContact O-CB 3.46Å; L87-A90 PolarHBondContact O-N 3.19Å; L87-L91 WeakPolarHBondContact O-CG 3.27Å; L87-L91 PolarHBondContact O-N 2.95Å; L87-L91 VanDerWaalsContact O-N 3.15Å; L87-V107 HydrophobicContact CD2-CG1 4.29Å
88A84.1Confident82.9Confident30 Ų3061 Ų6125%0.24829%0.294CS..Hα-helixtrans-61.7-45.1178.600000111.3L28 L84 D85 A90 L91 E92L28-A88 HydrophobicContact CD2-CB 4.45Å; L84-A88 PolarHBondContact O-N 3.39Å; D85-A88 PolarHBondContact O-N 3.47Å; A88-A90 VanDerWaalsContact C-N 3.35Å; A88-A90 PolarHBondContact O-N 3.22Å; A88-L91 WeakPolarHBondContact O-CB 3.36Å; A88-L91 PolarHBondContact O-N 2.88Å; A88-E92 PolarHBondContact O-N 3.45Å
89R85.1Confident82Confident126 Ų12663 Ų6348%0.47530%0.304SS..Hα-helixtrans-64.2-39.5175.4-65.7-177.586.8150.24.7111.7L57 D85 S86 L91 E92 Y93L57-R89 HydrophobicContact CD2-CB 3.61Å; L57-R89 HydrophobicContact CD2-CG 4.43Å; D85-R89 WeakPolarHBondContact O-CG 3.43Å; D85-R89 PolarHBondContact O-N 2.56Å; D85-R89 WeakPolarHBondContact OD1-CD 3.39Å; S86-R89 PolarHBondContact O-N 2.87Å; R89-L91 PolarHBondContact O-N 3.46Å; R89-E92 WeakPolarHBondContact O-CB 3.16Å; R89-E92 PolarHBondContact O-N 3.34Å; R89-Y93 WeakPolarHBondContact O-CD2 2.75Å
90A85.1Confident81.4Confident0 Ų070.5 Ų70.50%034%0.344CS..Hα-helixtrans-58.1-35.7175.300000112.5F54 L57 F81 S86 L87 A88 E92 Y93 V105F54-A90 HydrophobicContact CD1-CB 4.31Å; F54-A90 HydrophobicContact CE1-CB 3.93Å; L57-A90 HydrophobicContact CD1-CB 3.87Å; F81-A90 HydrophobicContact CE2-CB 3.74Å; F81-A90 HydrophobicContact CZ-CB 3.66Å; S86-A90 WeakPolarHBondContact O-CB 3.27Å; S86-A90 PolarHBondContact O-N 3.21Å; L87-A90 WeakPolarHBondContact O-CB 3.46Å; L87-A90 PolarHBondContact O-N 3.19Å; A88-A90 VanDerWaalsContact C-N 3.35Å; A88-A90 PolarHBondContact O-N 3.22Å; A90-E92 VanDerWaalsContact C-N 3.27Å; A90-E92 PolarHBondContact O-N 3.18Å; A90-Y93 WeakPolarHBondContact O-CB 3.36Å; A90-Y93 PolarHBondContact O-N 3.1Å; A90-V105 HydrophobicContact CB-CG1 4.48Å; A90-V105 WeakPolarHBondContact O-CG1 3.29Å
91L83.7Confident80.8Confident9 Ų972.8 Ų72.85%0.04735%0.35CS..Hα-helixtrans-68.1-25.3176.3-65.3169.1000113.2L28 L87 A88 R89 Y93 N94 V107L28-L91 HydrophobicContact CD2-CD1 4.12Å; L87-L91 WeakPolarHBondContact O-CG 3.27Å; L87-L91 PolarHBondContact O-N 2.95Å; L87-L91 VanDerWaalsContact O-N 3.15Å; A88-L91 WeakPolarHBondContact O-CB 3.36Å; A88-L91 PolarHBondContact O-N 2.88Å; R89-L91 PolarHBondContact O-N 3.46Å; L91-Y93 VanDerWaalsContact C-N 3.26Å; L91-Y93 PolarHBondContact O-N 3.04Å; L91-N94 WeakPolarHBondContact O-CB 3.28Å; L91-N94 PolarHBondContact O-N 3.13Å; L91-V107 HydrophobicContact CD1-CG2 3.61Å; L91-V107 HydrophobicContact CD2-CG2 3.71Å; L91-V107 HydrophobicContact CG-CG2 4.16Å
92E83.2Confident80.6Confident153 Ų15380.6 Ų80.672%0.71538%0.38SS*.Hα-helixtrans-69.7-26174.2-59.9-17788.600111.9A88 R89 A90 N94A88-E92 PolarHBondContact O-N 3.45Å; R89-E92 WeakPolarHBondContact O-CB 3.16Å; R89-E92 PolarHBondContact O-N 3.34Å; A90-E92 VanDerWaalsContact C-N 3.27Å; A90-E92 PolarHBondContact O-N 3.18Å; E92-N94 PolarHBondContact O-N 2.99Å
93Y78.6Confident80.6Confident81 Ų8171.8 Ų71.832%0.31835%0.347SS..THydrogen-bonded Turntrans-77.11.4174.7-71.3-86000114F53 R89 A90 L91 G95 N96F53-Y93 HydrophobicContact CE1-CD1 4.06Å; F53-Y93 HydrophobicContact CE1-CG 4.08Å; F53-Y93 AromaticContact CZ-CD1 3.9Å; F53-Y93 HydrophobicContact CZ-CD1 3.9Å; F53-Y93 HydrophobicContact CZ-CG 4.27Å; R89-Y93 WeakPolarHBondContact O-CD2 2.75Å; A90-Y93 WeakPolarHBondContact O-CB 3.36Å; A90-Y93 PolarHBondContact O-N 3.1Å; L91-Y93 VanDerWaalsContact C-N 3.26Å; L91-Y93 PolarHBondContact O-N 3.04Å; Y93-G95 PolarHBondContact O-N 3.39Å; Y93-N96 WeakPolarHBondContact O-CB 3.26Å; Y93-N96 PolarHBondContact O-N 3.28Å
94N80.4Confident80.7Confident53 Ų5373.8 Ų73.828%0.28335%0.349SS..THydrogen-bonded Turntrans-64.4120.8177.3-177.628.7000111.3Q23 L91 E92 R104 V105Q23-N94 PolarHBondContact OE1-ND2 3.4Å; L91-N94 WeakPolarHBondContact O-CB 3.28Å; L91-N94 PolarHBondContact O-N 3.13Å; E92-N94 PolarHBondContact O-N 2.99Å; N94-R104 WeakPolarHBondContact OD1-CA 3.12Å; N94-V105 HydrophobicContact CB-CB 4.05Å; N94-V105 VanDerWaalsContact CG-O 3.3Å; N94-V105 PolarHBondContact OD1-N 3.25Å; N94-V105 PolarHBondContact OD1-O 2.89Å
95G75.4Confident80.9Confident37 Ų3770.7 Ų70.738%0.38133%0.333SS..THydrogen-bonded Turntrans97.40.4-177.500000115Y93 L103Y93-G95 PolarHBondContact O-N 3.39Å; G95-L103 VanDerWaalsContact CA-O 3.29Å; G95-L103 WeakPolarHBondContact CA-O 3.33Å; G95-L103 PolarHBondContact N-O 3.5Å
96N77.3Confident80.9Confident78 Ų7866.9 Ų66.942%0.41731%0.313SS..  trans-67.7156.7174.3-154.41.1000111.6F53 Y93 R102 L103F53-N96 HydrophobicContact CE2-CB 3.91Å; F53-N96 VanDerWaalsContact CE2-ND2 3.31Å; F53-N96 WeakPolarHBondContact CE2-ND2 3.32Å; F53-N96 HydrophobicContact CZ-CB 3.63Å; Y93-N96 WeakPolarHBondContact O-CB 3.26Å; Y93-N96 PolarHBondContact O-N 3.28Å; N96-R102 CarbonylContact O-C 3.58Å; N96-R102 WeakPolarHBondContact O-CA 3.01Å; N96-L103 PolarHBondContact O-N 3.46Å
97E73.7Confident80.8Confident111 Ų11166.8 Ų66.852%0.51931%0.312SS..EExtended strand (participates in β ladder)trans-101.4120.8-175.1-69.6174.613600110.8R101 R102E97-R101 WeakPolarHBondContact CA-O 3.01Å; E97-R102 HydrophobicContact CG-CG 3.92Å; E97-R102 IonicContact OE1-NE 2.87Å; E97-R102 IonicContact OE1-NH2 3.8Å
98L69.3Low80.7Confident27 Ų2767.3 Ų67.314%0.14132%0.316CS..EExtended strand (participates in β ladder)trans-121.1116.5173.4-163.384.9000107.8L41 F53 D100 R101 L103L41-L98 HydrophobicContact CD2-CD2 4.25Å; F53-L98 HydrophobicContact CD2-CD1 3.85Å; F53-L98 HydrophobicContact CE2-CD1 4.5Å; L98-D100 PolarHBondContact O-N 3.1Å; L98-R101 PolarHBondContact N-O 3.15Å; L98-R101 PolarHBondContact O-N 2.77Å; L98-R101 VanDerWaalsContact O-N 3.17Å; L98-L103 HydrophobicContact CB-CD1 3.76Å; L98-L103 HydrophobicContact CB-CD2 3.88Å; L98-L103 HydrophobicContact CB-CG 3.83Å; L98-L103 HydrophobicContact CD2-CD1 4.3Å; L98-L103 HydrophobicContact CD2-CD2 4.48Å; L98-L103 HydrophobicContact CG-CD1 4.49Å
99F71Confident80Confident125 Ų12572.4 Ų72.455%0.54834%0.335SS..THydrogen-bonded Turntrans52.549.2-175-52.9-85.2000113.5P42 R101P42-F99 HydrophobicContact CG-CB 4.09Å; P42-F99 HydrophobicContact CG-CD2 3.51Å; P42-F99 HydrophobicContact CG-CE2 4.32Å; P42-F99 HydrophobicContact CG-CG 4.13Å; F99-R101 PolarHBondContact O-N 2.82Å
100D76Confident79Confident157 Ų15769.8 Ų69.884%0.8433%0.33SS*.THydrogen-bonded Turntrans66.113.6179.5-149.5-113.5000114.4L98L98-D100 PolarHBondContact O-N 3.1Å
101R77.1Confident77.8Confident115 Ų11579.2 Ų79.243%0.43437%0.366SS..EExtended strand (participates in β ladder)trans-119.6133.1177.2-63.2-176.3179.8-167.3-0110.9E97 L98 F99 L103E97-R101 WeakPolarHBondContact CA-O 3.01Å; L98-R101 PolarHBondContact N-O 3.15Å; L98-R101 PolarHBondContact O-N 2.77Å; L98-R101 VanDerWaalsContact O-N 3.17Å; F99-R101 PolarHBondContact O-N 2.82Å; R101-L103 PolarHBondContact O-N 3.02Å
102R83.7Confident76.5Confident167 Ų16786.3 Ų86.363%0.6339%0.392SS*.EExtended strand (participates in β ladder)trans-74.8114.7177.4-67.5-178.2177.3-138.1-3.6111.1N40 N96 E97N40-R102 WeakPolarHBondContact CB-O 3.24Å; N40-R102 PolarHBondContact ND2-O 3.26Å; N96-R102 CarbonylContact O-C 3.58Å; N96-R102 WeakPolarHBondContact O-CA 3.01Å; E97-R102 HydrophobicContact CG-CG 3.92Å; E97-R102 IonicContact OE1-NE 2.87Å; E97-R102 IonicContact OE1-NH2 3.8Å
103L85.4Confident75Confident3 Ų387.9 Ų87.92%0.01639%0.391CS..  trans-70.3143.4176-59.7-171.1000111L41 F53 G95 N96 L98 R101L41-L103 HydrophobicContact CD2-CD1 4.19Å; L41-L103 HydrophobicContact CD2-CD2 3.42Å; L41-L103 VanDerWaalsContact CD2-CD2 3.42Å; L41-L103 HydrophobicContact CD2-CG 4.43Å; L41-L103 HydrophobicContact CG-CD2 4.21Å; F53-L103 HydrophobicContact CD1-CD1 4.3Å; F53-L103 HydrophobicContact CD2-CD1 4.21Å; F53-L103 HydrophobicContact CE1-CD1 3.93Å; F53-L103 HydrophobicContact CE2-CD1 3.82Å; F53-L103 HydrophobicContact CG-CD1 4.43Å; F53-L103 HydrophobicContact CZ-CD1 3.68Å; G95-L103 VanDerWaalsContact CA-O 3.29Å; G95-L103 WeakPolarHBondContact CA-O 3.33Å; G95-L103 PolarHBondContact N-O 3.5Å; N96-L103 PolarHBondContact O-N 3.46Å; L98-L103 HydrophobicContact CB-CD1 3.76Å; L98-L103 HydrophobicContact CB-CD2 3.88Å; L98-L103 HydrophobicContact CB-CG 3.83Å; L98-L103 HydrophobicContact CD2-CD1 4.3Å; L98-L103 HydrophobicContact CD2-CD2 4.48Å; L98-L103 HydrophobicContact CG-CD1 4.49Å; R101-L103 PolarHBondContact O-N 3.02Å
104R85.8Confident73.7Confident105 Ų10590.4 Ų90.440%0.39641%0.41SS..EExtended strand (participates in β ladder)trans-110.7112.2172.6-177.7177.8174-135.7-13.2109.4V38 G39 N94 D106V38-R104 CarbonylContact C-O 3.53Å; V38-R104 WeakPolarHBondContact CA-O 3.28Å; G39-R104 PolarHBondContact N-O 3.35Å; G39-R104 PolarHBondContact O-N 2.87Å; N94-R104 WeakPolarHBondContact OD1-CA 3.12Å; R104-D106 IonicContact CZ-OD2 3.56Å; R104-D106 IonicContact NH2-OD2 3.37Å; R104-D106 PolarHBondContact NH2-OD2 3.39Å
105V87.8Confident72.4Confident2 Ų298.1 Ų98.11%0.01244%0.435CS..EExtended strand (participates in β ladder)trans-106.7126.4175.8-168.50000109.6A36 Y37 V38 F54 A90 N94A36-V105 HydrophobicContact CB-CG1 4.18Å; Y37-V105 CarbonylContact O-C 3.59Å; Y37-V105 VanDerWaalsContact O-CA 3.28Å; Y37-V105 WeakPolarHBondContact O-CA 3.28Å; V38-V105 HydrophobicContact CG1-CG2 4.4Å; V38-V105 HydrophobicContact CG2-CG1 4.47Å; V38-V105 HydrophobicContact CG2-CG2 4.48Å; F54-V105 HydrophobicContact CZ-CG2 4.44Å; A90-V105 HydrophobicContact CB-CG1 4.48Å; A90-V105 WeakPolarHBondContact O-CG1 3.29Å; N94-V105 HydrophobicContact CB-CB 4.05Å; N94-V105 VanDerWaalsContact CG-O 3.3Å; N94-V105 PolarHBondContact OD1-N 3.25Å; N94-V105 PolarHBondContact OD1-O 2.89Å
106D86.1Confident71.3Confident19 Ų19107.6 Ų107.610%0.10246%0.46CS..EExtended strand (participates in β ladder)trans-137.4160.3-178.4-149.6-73.1000109.1R26 A36 Y37 R104 A108R26-D106 IonicContact NE-OD1 3.66Å; R26-D106 PolarHBondContact NE-OD1 3.48Å; A36-D106 CarbonylContact C-O 3.43Å; A36-D106 WeakPolarHBondContact CA-O 3.41Å; Y37-D106 HydrophobicContact CD1-CB 4.17Å; Y37-D106 PolarHBondContact N-O 3.43Å; Y37-D106 PolarHBondContact O-N 3.34Å; R104-D106 IonicContact CZ-OD2 3.56Å; R104-D106 IonicContact NH2-OD2 3.37Å; R104-D106 PolarHBondContact NH2-OD2 3.39Å; D106-A108 PolarHBondContact O-N 3.31Å
107V84.1Confident70Confident5 Ų5111.3 Ų111.33%0.0348%0.479CS..EExtended strand (participates in β ladder)trans-76.8123.1175.6177.90000108.6R26 P29 L87 L91R26-V107 HydrophobicContact CB-CB 4.15Å; R26-V107 HydrophobicContact CB-CG2 4.47Å; P29-V107 HydrophobicContact CG-CG1 4.17Å; L87-V107 HydrophobicContact CD2-CG1 4.29Å; L91-V107 HydrophobicContact CD1-CG2 3.61Å; L91-V107 HydrophobicContact CD2-CG2 3.71Å; L91-V107 HydrophobicContact CG-CG2 4.16Å
108A81.6Confident68.8Low10 Ų10108.3 Ų108.38%0.08348%0.479CS..EExtended strand (participates in β ladder)trans-92.2125.2174.400000110.4T35 Y78 D106T35-A108 HydrophobicContact CG2-CB 3.78Å; T35-A108 WeakPolarHBondContact O-CA 3.47Å; T35-A108 WeakPolarHBondContact O-CB 3.43Å; T35-A108 PolarHBondContact O-N 3.19Å; T35-A108 VanDerWaalsContact O-O 3.09Å; Y78-A108 HydrophobicContact CD1-CB 3.8Å; Y78-A108 HydrophobicContact CE1-CB 4.05Å; D106-A108 PolarHBondContact O-N 3.31Å
109E69.8Low68Low138 Ų138116.4 Ų116.465%0.64552%0.516SS*.PPolyproline II helixtrans-89119.7163.8-67.2175.6105.500108.3R26 R111R26-E109 IonicContact NH1-OE2 3.99Å; E109-R111 PolarHBondContact O-N 2.99Å; E109-R111 VanDerWaalsContact O-N 3.15Å
110D64.2Low66.9Low70 Ų70117 Ų11737%0.37453%0.53SS..  trans-73.1107.2174.4-174.6-94.8000109.7P33 R112P33-D110 HydrophobicContact CG-CB 4.16Å; D110-R112 PolarHBondContact O-N 3.31Å; D110-R112 VanDerWaalsContact O-N 3.07Å; D110-R112 WeakPolarHBondContact OD1-CA 3.43Å; D110-R112 WeakPolarHBondContact OD1-CB 3.14Å; D110-R112 VanDerWaalsContact OD1-CG 3.27Å; D110-R112 WeakPolarHBondContact OD1-CG 3.09Å; D110-R112 PolarHBondContact OD1-N 2.71Å; D110-R112 WeakPolarHBondContact OD2-CD 3.37Å; D110-R112 WeakPolarHBondContact OD2-CG 3.47Å; D110-R112 IonicContact OD2-NE 3.87Å
111R59.8Low65.7Low198 Ų198114.5 Ų114.575%0.74752%0.524SS*.THydrogen-bonded Turntrans-74.416.6177-63.6-172.8179.9171.3-1.3113.5E109E109-R111 PolarHBondContact O-N 2.99Å; E109-R111 VanDerWaalsContact O-N 3.15Å
112R56.5Low64Low159 Ų159112.4 Ų112.460%0.654%0.539SS*.THydrogen-bonded Turntrans-91.5-5.7-174.3-53178.1169-101.3-13.1114.3R63 D110R63-R112 VanDerWaalsContact CZ-NH2 3.29Å; R63-R112 VanDerWaalsContact NH2-NH2 3.13Å; D110-R112 PolarHBondContact O-N 3.31Å; D110-R112 VanDerWaalsContact O-N 3.07Å; D110-R112 WeakPolarHBondContact OD1-CA 3.43Å; D110-R112 WeakPolarHBondContact OD1-CB 3.14Å; D110-R112 VanDerWaalsContact OD1-CG 3.27Å; D110-R112 WeakPolarHBondContact OD1-CG 3.09Å; D110-R112 PolarHBondContact OD1-N 2.71Å; D110-R112 WeakPolarHBondContact OD2-CD 3.37Å; D110-R112 WeakPolarHBondContact OD2-CG 3.47Å; D110-R112 IonicContact OD2-NE 3.87Å
113R51.5Low62.4Low185 Ų185110.4 Ų110.470%0.69855%0.55SS**SBendtrans-84.1-14.7169.7-70.4-163.6-171.6-171.47.8114.9R115R113-R115 PolarHBondContact O-N 2.89Å
114D51.6Low60.6Low134 Ų134118.6 Ų118.672%0.71759%0.591SS**THydrogen-bonded Turntrans-90.710.1179.9-66.6-75000115.8
115R53.1Low58.7Low215 Ų215119.2 Ų119.281%0.81160%0.602SS**THydrogen-bonded Turntrans-113.44.7179.9-68.5-166.4-157.3150.96.8115.6R113R113-R115 PolarHBondContact O-N 2.89Å
116R51Low57Low236 Ų236131.1 Ų131.189%0.89165%0.647SS**SBendtrans-115.50.4176.2-118.4-178.5-167.9-173.82.9115.6
117D51.3Low55.5Low156 Ų156139.4 Ų139.483%0.83469%0.685SS**SBendtrans-125.292.5164-92.5-85.9000107.7
118G47.8Very low53.6Low49 Ų49149.5 Ų149.551%0.50572%0.722SS.*  trans174.2-11.8-173.300000114.8T120G118-T120 PolarHBondContact O-N 3.08Å
119Q52.7Low51.7Low197 Ų197151.7 Ų151.792%0.92175%0.746SS**SBendtrans-76.749.6156.6-76.9165.26.500110.2
120T48.6Very low50.7Low136 Ų136154 Ų15483%0.83476%0.759SS**SBendtrans178.166.7167.6-840000107.8G118G118-T120 PolarHBondContact O-N 3.08Å
121S50.1Low49.7Very low105 Ų105159.6 Ų159.673%0.73478%0.78SS**SBendtrans-174.2113.9146.7460000109.2
122G41.7Very low49Very low71 Ų71156 Ų15673%0.73279%0.786SS**  trans100.612.1157.400000118.5M124G122-M124 PolarHBondContact O-N 3.44Å
123S48.9Very low48.6Very low125 Ų125160.2 Ų160.287%0.87480%0.802SS**SBendtrans-71.661.6148.4-177.80000109
124M48Very low48.2Very low176 Ų176160.4 Ų160.487%0.86781%0.81SS**  trans-175.256.2175-106.7169.3-174.300110.4G122G122-M124 PolarHBondContact O-N 3.44Å
125N47.1Very low47.4Very low118 Ų118157.9 Ų157.963%0.63182%0.816SS**  trans-147.832.8155.3-136.341.3000114.2R128N125-R128 WeakPolarHBondContact OD1-CB 3.44Å
126R52.3Low47.2Very low251 Ų251151.2 Ų151.295%0.94781%0.807SS**SBendtrans-92.20.1159.8-81.7-172.5-168.3160.35.4113.5
127Q53.8Low46.7Very low194 Ų194148.4 Ų148.491%0.90780%0.804SS**SBendtrans-146.565.9179.2-76.5148.8-1.700109.5
128R44.1Very low46.5Very low216 Ų216145.5 Ų145.582%0.81580%0.796SS**SBendtrans-143.7100.2165.5-151.5173.6-168.4177.92.6110.5N125N125-R128 WeakPolarHBondContact OD1-CB 3.44Å
129G41.6Very low46.4Very low56 Ų56153.4 Ų153.458%0.57781%0.81SS**  trans57.1101.2162.300000115.2F131G129-F131 PolarHBondContact O-N 3.2Å
130M48.1Very low46.2Very low187 Ų187150.3 Ų150.392%0.92180%0.8SS**  cis42.918.939.5-94.5-170.795.600115.7
131F43.5Very low46.3Very low187 Ų187149.6 Ų149.682%0.8279%0.791SS**  trans-152.280.4165.2-67.9-72.5000110.6G129G129-F131 PolarHBondContact O-N 3.2Å
132S45.6Very low46.3Very low124 Ų124151.2 Ų151.287%0.86779%0.792SS**  trans-165.454.2154.2-79.10000108.2
133R47.8Very low46.4Very low246 Ų246158.5 Ų158.593%0.92880%0.799SS**  trans-85.9118.3148-86.9-168.4-175-165.12.1105.4G135R133-G135 PolarHBondContact O-N 3.46Å
134Q43.5Very low46.2Very low189 Ų189163.5 Ų163.588%0.88380%0.798SS**  trans-39.3133166.3-77.8153.424.700109.6A136Q134-A136 PolarHBondContact O-N 2.78Å
135G35.1Very low46.3Very low81 Ų81160.3 Ų160.384%0.83579%0.791SS**  trans-52.8124.117200000110.1R133R133-G135 PolarHBondContact O-N 3.46Å
136A48.2Very low46.1Very low76 Ų76165.9 Ų165.963%0.62880%0.803SS**  trans-152.591.6154.600000103.1Q134Q134-A136 PolarHBondContact O-N 2.78Å
137E42.1Very low45.6Very low177 Ų177156.6 Ų156.683%0.82779%0.785SS**  82.8109.6105.5-75.2168.993.100112.2
138S46.3Very low45Very low94 Ų94157.9 Ų157.966%0.65778%0.784SS**  trans77.2133.2132.5-71.50000120.6
139R44.9Very low45Very low215 Ų215151 Ų15181%0.81178%0.78SS**  trans88.6106145-68.6157-177.8172.61.1115.1
140D49.4Very low45.1Very low133 Ų133158 Ų15871%0.71180%0.797SS**  75.113695.3-71.9-49000109.3
141D50.7Low44.6Very low120 Ų120152.2 Ų152.264%0.64279%0.786SS**  cis-178.5155.15.3-120.3-40.6000104.5
142N50.6Low44.8Very low139 Ų139149.5 Ų149.574%0.74379%0.79SS**  trans50110.5147.3-64.7-64.2000121.4
143Y42.8Very low44.7Very low224 Ų224155.7 Ų155.788%0.87880%0.795SS**  -172.2127.8115.4-148.5-110.3000112.6
144R44.1Very low44.4Very low230 Ų230147.4 Ų147.487%0.86879%0.786SS**  trans-110.3147.2172.2-103.4-179.8162.9173-3.1108.7
145P51.6Low44.4Very low110 Ų110149 Ų14971%0.71478%0.784SS**  -146.9127.1119.130.2-12.5000112.4
146R42.3Very low44.8Very low234 Ų234154.5 Ų154.588%0.88378%0.781SS**  52.8109.774.7-150.1-178.8-158.6174.85.2115.1
147G41.8Very low44.6Very low56 Ų56154.5 Ų154.558%0.57779%0.788SS**  trans162.1107.7153.500000120.2
148Y41.4Very low44.6Very low222 Ų222155.7 Ų155.787%0.87179%0.791SS**  trans66.1140.8133.6-35.7-75.3000124.3
149G43.3Very low44.4Very low71 Ų71154.2 Ų154.273%0.73279%0.79SS**  trans98.194.9147.800000115
150E43.4Very low44.5Very low202 Ų202150.2 Ų150.294%0.94479%0.79SS**  62.9107.973.5-163152.496.500114.9
151G38Very low44.1Very low66 Ų66155.8 Ų155.868%0.6880%0.801SS**  trans66.2106.5142.700000119.1
152S47.1Very low43.8Very low130 Ų130155.4 Ų155.491%0.90981%0.808SS**  trans-160.9113.6137.1-86.70000111.8
153R43.3Very low43.5Very low255 Ų255150.8 Ų150.896%0.96279%0.793SS**  trans-66.9148.6168.1-68.3170.8172.6145.6-2.9109.9
154G42.3Very low43.5Very low72 Ų72147.7 Ų147.774%0.74279%0.792SS**  trans116.899.314900000115.9
155R42.8Very low43.7Very low222 Ų222144.9 Ų144.984%0.83878%0.782SS**  trans-148.5100.4140.1-167.4170.4-101.1-143-2.3110.3
156Y44.4Very low43.5Very low197 Ų197147.3 Ų147.377%0.77379%0.789SS**  trans-46.1146.7158.741.5-87.6000111.9
157G43.9Very low43.7Very low76 Ų76139.6 Ų139.678%0.78478%0.782SS**  trans172.867.5174.100000116.3
158F42.2Very low43.8Very low202 Ų202146.1 Ų146.189%0.88680%0.797SS**  trans56.3120.9143.3-141.7-100.2000120.6
159G42.9Very low43.7Very low62 Ų62139.2 Ų139.264%0.63979%0.794SS**  trans-93.5157.4173.100000114.7
160T45.5Very low44Very low132 Ų132141.9 Ų141.981%0.8180%0.798SS**  trans-151.3106.8156.9220000103.4
161R40.9Very low44.1Very low250 Ų250135.4 Ų135.494%0.94379%0.786SS**  52.883.657.3-154.9176.9-159.5-177.75.6114.2
162S46Very low44.5Very low112 Ų112139.3 Ų139.378%0.78379%0.791SS**  -177.4117129.2-160.10000105.8
163G42.8Very low44.7Very low42 Ų42138 Ų13843%0.43378%0.781SS.*  81.485.45100000108.3
164N44.5Very low44.7Very low159 Ų159133.8 Ų133.885%0.8578%0.778SS**  trans-143.3110.8152.8-149.335.3000110.2
165Y48.3Very low44.6Very low170 Ų170133.3 Ų133.367%0.66777%0.773SS**  trans-101.8143.3176.513.4-94.9000106.2
166N46.6Very low44.7Very low161 Ų161131.2 Ų131.286%0.86177%0.773SS**  trans173.6108.3143.9-84.8-11.6000105.2
167G45.6Very low44.9Very low72 Ų72129.6 Ų129.674%0.74277%0.772SS**  cis98.894.826.300000108.9
168H45.5Very low44.6Very low193 Ų193134.8 Ų134.889%0.89478%0.776SS**  trans-19.1147.5169.2-6779.6000119.3
169G39Very low44.3Very low77 Ų77129.6 Ų129.679%0.79477%0.771SS**  trans-165.3113145.100000111.5
170P48.6Very low44.4Very low128 Ų128131.9 Ų131.983%0.83178%0.777SS**  trans-101.8158.5164.236.7-26.6000111.2
171G45.5Very low44.4Very low66 Ų66130.7 Ų130.768%0.6877%0.774SS**  trans126.9144.2175.600000110.2
172D46.3Very low44.7Very low147 Ų147124.6 Ų124.679%0.78677%0.765SS**  cis-166.8139.7-2.8-119.4-65.3000104.9
173S51.7Low44.4Very low102 Ų102127.5 Ų127.571%0.71377%0.768SS**  trans29.3135.3140.949.10000121.8
174N44Very low44.7Very low167 Ų167137.2 Ų137.289%0.89379%0.792SS**  150.7142.6107.3-154.816.6000115.4
175G40.8Very low44.9Very low62 Ų62135.1 Ų135.164%0.63979%0.787SS**  trans75.9107.115900000116.8
176Q44.2Very low44.2Very low179 Ų179138.1 Ų138.184%0.83680%0.797SS**  54.613251.5-78.2-169.1-1.800116.6
177Q47.9Very low44.3Very low162 Ų162135.9 Ų135.976%0.75779%0.789SS**  trans91104.4164.7-62162.450.100115.7
178E38.3Very low43.9Very low185 Ų185140.4 Ų140.486%0.86479%0.788SS**  78.5124.472.3-72.6-175.7-169.700114.5
179A36.5Very low43.9Very low93 Ų93137.2 Ų137.277%0.76978%0.778SS**  trans76.4132.5148.600000121.2
180S45.1Very low44Very low111 Ų111142.4 Ų142.478%0.77678%0.781SS**  trans103.7105140.878.90000117.9
181S43.6Very low43.7Very low106 Ų106140 Ų14074%0.74177%0.772SS**  52.6114119.8-159.20000117.6
182T48.3Very low43.7Very low123 Ų123143.3 Ų143.376%0.75577%0.774SS**  -175.9108.9114-67.40000110.8
183M39.9Very low43.6Very low173 Ų173144 Ų14485%0.85278%0.777SS**  trans32.2118.5142.2-56.1-166.1-173.800120.8
184R48.1Very low43.3Very low246 Ų246144.8 Ų144.893%0.92878%0.782SS**  trans-134.8136.3133.5-77.3-172.6134.3-150.1-3109.9
185P48.1Very low43.1Very low114 Ų114142.3 Ų142.374%0.7477%0.768SS**  trans-81.5142.9-157.132.1-34.7000113.2V187P185-V187 PolarHBondContact O-N 3.01Å
186R35.2Very low43Very low234 Ų234142.1 Ų142.188%0.88377%0.766SS**  trans-8993.1168-164.4177.9-169.1154.92.5107.5K188R186-K188 PolarHBondContact O-N 3.49Å
187V48.8Very low42.8Very low113 Ų113136.5 Ų136.569%0.68576%0.756SS**  trans-80.4110172.1-79.20000109.2P185P185-V187 PolarHBondContact O-N 3.01Å
188K37.5Very low42.5Very low168 Ų168136.4 Ų136.473%0.7376%0.76SS**  trans-81.3106.9167.2-66.2175.4178.8-179.20106.6R186R186-K188 PolarHBondContact O-N 3.49Å
189N44.3Very low42.8Very low126 Ų126135 Ų13567%0.67476%0.757SS**  trans-111.782.3176.1-64.213.1000108.1A191N189-A191 PolarHBondContact O-N 3.37Å
190E41.2Very low43.2Very low185 Ų185138.9 Ų138.986%0.86476%0.76SS**  trans-66.878.9163.8-61.7169118.300107.6
191A42Very low42.8Very low78 Ų78136.6 Ų136.665%0.64575%0.754SS**  trans-159.312.5-179.600000116.3N189N189-A191 PolarHBondContact O-N 3.37Å
192L45.4Very low42.4Very low136 Ų136134.9 Ų134.971%0.71275%0.753SS**  trans-123.817.9-177.7-68.6175.9000115.4S194 I195L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 3.14Å; L192-I195 HydrophobicContact CD2-CD1 4.08Å
193D44.6Very low42.4Very low162 Ų162136.4 Ų136.487%0.86676%0.755SS**THydrogen-bonded Turntrans-821.5172.1-88-76.3000114.2
194S44.9Very low42.9Very low117 Ų117132.2 Ų132.282%0.81875%0.748SS**THydrogen-bonded Turntrans-108.16.5-177.6-54.20000115.2L192L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 3.14Å
195I40.6Very low42.8Very low116 Ų116128 Ų12860%0.59574%0.744SS**SBendtrans-110.15.6173.8-47.9175.8000111.2L192 G197L192-I195 HydrophobicContact CD2-CD1 4.08Å; I195-G197 PolarHBondContact O-N 3.43Å
196G38.8Very low42.7Very low58 Ų58126.9 Ų126.960%0.59873%0.732SS**THydrogen-bonded Turntrans-70.5-7.7169.600000114.5
197G40Very low43.5Very low60 Ų60121.1 Ų121.162%0.61972%0.724SS**THydrogen-bonded Turntrans-92-6.8-175.400000116.6I195I195-G197 PolarHBondContact O-N 3.43Å
198L42.3Very low43.5Very low160 Ų160123 Ų12384%0.83873%0.726SS**SBendtrans-112.21.8-175.4-141.777.7000114.4
199L44.6Very low43.8Very low156 Ų156121.5 Ų121.582%0.81772%0.715SS**  trans-112.827.9179.8-72.7163.7000112.3
200Q44.2Very low43.9Very low174 Ų174119.1 Ų119.181%0.81371%0.713SS**  trans-94.115.1171.5-92.7175.60.600113.4G202Q200-G202 PolarHBondContact O-N 3.24Å
201G36Very low44Very low64 Ų64119.8 Ų119.866%0.6671%0.713SS**SBendtrans-83.5108.3169.400000110.4I203G201-I203 PolarHBondContact O-N 2.9Å
202G35.5Very low44.2Very low70 Ų70120.2 Ų120.272%0.72270%0.704SS**  trans-47.7133.4-179.600000113.4Q200 A204Q200-G202 PolarHBondContact O-N 3.24Å; G202-A204 PolarHBondContact O-N 2.62Å
203I49Very low44.1Very low155 Ų155116.3 Ų116.380%0.79568%0.681SS**THydrogen-bonded Turntrans-70.512.1-174.4-65.5160000112.5G201G201-I203 PolarHBondContact O-N 2.9Å
204A49.1Very low44.1Very low85 Ų85110.6 Ų110.670%0.70266%0.66SS**THydrogen-bonded Turntrans-102.8-11.4-161.300000117.2G202G202-A204 PolarHBondContact O-N 2.62Å
205D46.8Very low44.4Very low157 Ų157113.2 Ų113.284%0.8467%0.665SS**  trans-12137.9-165.1-93.9-74.3000116
206N45.2Very low44.8Very low91 Ų91108.6 Ų108.649%0.48764%0.644SS.*  trans-130.899.5168.7-165.7-5.3000113.9Q208 R209N206-Q208 PolarHBondContact O-N 2.88Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.4Å; N206-Q208 PolarHBondContact OD1-N 3.46Å; N206-R209 PolarHBondContact O-N 3.07Å
207P53.7Low45.5Very low112 Ų112109.6 Ų109.673%0.72763%0.632SS**THydrogen-bonded Turntrans-68.7-13.2178.727.6-33.8000113.8R209P207-R209 VanDerWaalsContact C-N 3.32Å
208Q48.1Very low46.3Very low153 Ų153111.3 Ų111.372%0.71563%0.632SS**THydrogen-bonded Turntrans-78.2-18.7176.4-59.4-168.3-71.700112.9N206N206-Q208 PolarHBondContact O-N 2.88Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.4Å; N206-Q208 PolarHBondContact OD1-N 3.46Å
209R43.6Very low46.9Very low136 Ų136109.5 Ų109.551%0.51362%0.619SS.*G310 helixtrans-81.7-25.7-177.4-152.7172.8176-142-3.8112.5N206 P207 K211 I212 F213N206-R209 PolarHBondContact O-N 3.07Å; P207-R209 VanDerWaalsContact C-N 3.32Å; R209-K211 PolarHBondContact O-N 2.94Å; R209-I212 PolarHBondContact O-N 2.57Å; R209-F213 HydrophobicContact CG-CD2 3.59Å; R209-F213 HydrophobicContact CG-CE2 3.51Å; R209-F213 VanDerWaalsContact NE-CE2 3.34Å; R209-F213 WeakPolarHBondContact O-CD2 3.27Å; R209-F213 PolarHBondContact O-N 2.77Å
210A45.8Very low47.6Very low77 Ų77102.8 Ų102.864%0.63658%0.583SS**G310 helixtrans-66-16.8177.500000114.5
211K43.3Very low48.4Very low198 Ų19895.4 Ų95.486%0.86155%0.549SS*.G310 helixtrans-84.3-20.6171.6-74.3-175.6177.3-175.20113.5R209R209-K211 PolarHBondContact O-N 2.94Å
212I46Very low49.5Very low87 Ų8798.5 Ų98.545%0.44655%0.547SS..THydrogen-bonded Turntrans-92.4-31.5-174.9-58171.9000110.3R209R209-I212 PolarHBondContact O-N 2.57Å
213F43.8Very low50.8Low55 Ų5597.3 Ų97.324%0.24153%0.527CS..SBendtrans-114.7100.8176.6-57.4-90.2000106.3R209 I221R209-F213 HydrophobicContact CG-CD2 3.59Å; R209-F213 HydrophobicContact CG-CE2 3.51Å; R209-F213 VanDerWaalsContact NE-CE2 3.34Å; R209-F213 WeakPolarHBondContact O-CD2 3.27Å; R209-F213 PolarHBondContact O-N 2.77Å; F213-I221 HydrophobicContact CD1-CD1 4.08Å; F213-I221 HydrophobicContact CD1-CG2 4.36Å; F213-I221 HydrophobicContact CE1-CG2 4.16Å
214G44.4Very low51.5Low41 Ų4189.9 Ų89.942%0.42349%0.489SS..  trans-55.4176.9162.100000110.4A216G214-A216 PolarHBondContact O-N 2.78Å
215D50.9Low52.3Low173 Ų17389 Ų8993%0.92548%0.475SS*.SBendtrans-59.328.6-173.5-66.1-80.2000117.1K217D215-K217 PolarHBondContact O-N 3Å
216A48.9Very low53Low19 Ų1985.4 Ų85.416%0.15746%0.461CS..  trans-61.7127.9170.100000111.6G214 I221 D240G214-A216 PolarHBondContact O-N 2.78Å; A216-I221 HydrophobicContact CB-CD1 3.72Å; A216-I221 HydrophobicContact CB-CG1 4.1Å; A216-D240 HydrophobicContact CB-CB 4.09Å
217K54.6Low53.9Low78 Ų7882.1 Ų82.134%0.33945%0.446SS..  trans-56.2130.5177.6-62.3172.6178.1-1790110.4S48 D215 H219 Y220S48-K217 PolarHBondContact OG-NZ 3.21Å; D215-K217 PolarHBondContact O-N 3Å; K217-H219 VanDerWaalsContact C-N 3.26Å; K217-H219 VanDerWaalsContact CB-CE1 3.44Å; K217-H219 WeakPolarHBondContact CB-CE1 3.19Å; K217-H219 PolarHBondContact O-N 2.87Å; K217-H219 VanDerWaalsContact O-N 3.14Å; K217-Y220 PolarHBondContact O-N 2.62Å
218P55.7Low54.2Low96 Ų9676.9 Ų76.962%0.62341%0.413SS*.Hα-helixtrans-64.6-24.3-170.822.5-32.9000114.4Q222P218-Q222 WeakPolarHBondContact O-CG 2.99Å; P218-Q222 PolarHBondContact O-N 3.03Å
219H56Low54.9Low122 Ų12277.9 Ų77.957%0.56542%0.415SS*.Hα-helixtrans-68.7-38.8-178.151.8-103.8000113.3K217 Q222 S223K217-H219 VanDerWaalsContact C-N 3.26Å; K217-H219 VanDerWaalsContact CB-CE1 3.44Å; K217-H219 WeakPolarHBondContact CB-CE1 3.19Å; K217-H219 PolarHBondContact O-N 2.87Å; K217-H219 VanDerWaalsContact O-N 3.14Å; H219-Q222 PolarHBondContact O-N 3.22Å; H219-S223 PolarHBondContact O-N 3.35Å
220Y59.7Low55.7Low15 Ų1579.8 Ų79.86%0.05943%0.429CS..Hα-helixtrans-76.2-36.8-176.8171.9-91000111.5K217 Q222 S223 I224 I250 E278 I282K217-Y220 PolarHBondContact O-N 2.62Å; Y220-Q222 VanDerWaalsContact C-N 3.27Å; Y220-Q222 PolarHBondContact O-N 3.49Å; Y220-S223 PolarHBondContact O-N 3.19Å; Y220-I224 HydrophobicContact CD1-CD1 4.33Å; Y220-I224 HydrophobicContact CD1-CG1 4.46Å; Y220-I224 HydrophobicContact CE1-CD1 3.34Å; Y220-I224 HydrophobicContact CE1-CG1 3.88Å; Y220-I224 HydrophobicContact CE2-CD1 3.99Å; Y220-I224 HydrophobicContact CE2-CG1 4.13Å; Y220-I224 PolarHBondContact O-N 3.24Å; Y220-I224 WeakPolarHBondContact OH-CD1 3.38Å; Y220-I250 HydrophobicContact CD1-CD1 3.68Å; Y220-I250 HydrophobicContact CE1-CD1 3.08Å; Y220-I250 HydrophobicContact CE1-CG1 4.35Å; Y220-I250 HydrophobicContact CE1-CG2 4.2Å; Y220-I250 HydrophobicContact CE2-CD1 4.42Å; Y220-I250 VanDerWaalsContact CZ-CD1 3.46Å; Y220-E278 HydrophobicContact CE2-CB 4.44Å; Y220-I282 HydrophobicContact CE2-CD1 3.62Å; Y220-I282 HydrophobicContact CE2-CG1 3.34Å; Y220-I282 WeakPolarHBondContact OH-CD1 3.4Å; Y220-I282 WeakPolarHBondContact OH-CG1 3.37Å
221I60.5Low56.3Low20 Ų2078.7 Ų78.710%0.10341%0.412CS..Hα-helixtrans-59.7-42.2173-55.9170.9000109.9F213 A216 I224 V225F213-I221 HydrophobicContact CD1-CD1 4.08Å; F213-I221 HydrophobicContact CD1-CG2 4.36Å; F213-I221 HydrophobicContact CE1-CG2 4.16Å; A216-I221 HydrophobicContact CB-CD1 3.72Å; A216-I221 HydrophobicContact CB-CG1 4.1Å; I221-I224 PolarHBondContact O-N 3.35Å; I221-V225 HydrophobicContact CG2-CG2 4.15Å; I221-V225 VanDerWaalsContact O-CB 3.29Å; I221-V225 WeakPolarHBondContact O-CB 3.42Å; I221-V225 WeakPolarHBondContact O-CG2 3.4Å; I221-V225 PolarHBondContact O-N 2.8Å
222Q59.1Low57Low129 Ų12978.3 Ų78.360%0.60341%0.41SS*.Hα-helixtrans-64.1-41.6177.9-78.3-177.2-23.700112.5P218 H219 Y220 V225 C226P218-Q222 WeakPolarHBondContact O-CG 2.99Å; P218-Q222 PolarHBondContact O-N 3.03Å; H219-Q222 PolarHBondContact O-N 3.22Å; Y220-Q222 VanDerWaalsContact C-N 3.27Å; Y220-Q222 PolarHBondContact O-N 3.49Å; Q222-V225 PolarHBondContact O-N 3.46Å; Q222-C226 VanDerWaalsContact O-CB 3.27Å; Q222-C226 WeakPolarHBondContact O-CB 3.44Å; Q222-C226 PolarHBondContact O-N 3.49Å
223S61.8Low57.8Low44 Ų4474.7 Ų74.731%0.30839%0.392SS..Hα-helixtrans-65.9-43.6178.5-148.80000111.9H219 Y220 V225 C226 A227 E278H219-S223 PolarHBondContact O-N 3.35Å; Y220-S223 PolarHBondContact O-N 3.19Å; S223-V225 PolarHBondContact O-N 3.46Å; S223-C226 WeakPolarHBondContact O-CB 3.42Å; S223-C226 PolarHBondContact O-N 2.75Å; S223-A227 WeakPolarHBondContact O-CB 3.49Å; S223-A227 PolarHBondContact O-N 2.97Å; S223-E278 WeakPolarHBondContact CB-OE1 3.46Å; S223-E278 WeakPolarHBondContact CB-OE2 3.44Å; S223-E278 PolarHBondContact OG-OE1 2.76Å; S223-E278 PolarHBondContact OG-OE2 3.37Å
224I64.1Low58.4Low0 Ų075.4 Ų75.40%040%0.404CS..Hα-helixtrans-63.1-43.2175.1-74.5-152.3000112.6Y220 I221 C226 A227 C228 L235 V238 V252 L275 E278Y220-I224 HydrophobicContact CD1-CD1 4.33Å; Y220-I224 HydrophobicContact CD1-CG1 4.46Å; Y220-I224 HydrophobicContact CE1-CD1 3.34Å; Y220-I224 HydrophobicContact CE1-CG1 3.88Å; Y220-I224 HydrophobicContact CE2-CD1 3.99Å; Y220-I224 HydrophobicContact CE2-CG1 4.13Å; Y220-I224 PolarHBondContact O-N 3.24Å; Y220-I224 WeakPolarHBondContact OH-CD1 3.38Å; I221-I224 PolarHBondContact O-N 3.35Å; I224-C226 VanDerWaalsContact C-N 3.28Å; I224-C226 PolarHBondContact O-N 2.85Å; I224-A227 PolarHBondContact O-N 3.08Å; I224-C228 WeakPolarHBondContact O-CB 3.45Å; I224-C228 PolarHBondContact O-N 3.36Å; I224-C228 PolarHBondContact O-SG 3.03Å; I224-L235 HydrophobicContact CG2-CD1 3.3Å; I224-V238 HydrophobicContact CG2-CG2 4.33Å; I224-V252 HydrophobicContact CD1-CG2 4.41Å; I224-L275 HydrophobicContact CD1-CD2 4.13Å; I224-L275 HydrophobicContact CG1-CD2 4.1Å; I224-L275 HydrophobicContact CG2-CD2 4.38Å; I224-E278 HydrophobicContact CG1-CG 4.4Å
225V65.6Low59.2Low67 Ų6775.3 Ų75.341%0.40639%0.394SS..Hα-helixtrans-64.5-37.6177169.50000110.4I221 Q222 S223 K229 L235I221-V225 HydrophobicContact CG2-CG2 4.15Å; I221-V225 VanDerWaalsContact O-CB 3.29Å; I221-V225 WeakPolarHBondContact O-CB 3.42Å; I221-V225 WeakPolarHBondContact O-CG2 3.4Å; I221-V225 PolarHBondContact O-N 2.8Å; Q222-V225 PolarHBondContact O-N 3.46Å; S223-V225 PolarHBondContact O-N 3.46Å; V225-K229 WeakPolarHBondContact O-CB 3.47Å; V225-K229 PolarHBondContact O-N 2.81Å; V225-K229 VanDerWaalsContact O-N 3.1Å; V225-L235 HydrophobicContact CG2-CD2 4.24Å
226C63.2Low59.7Low81 Ų8171.3 Ų71.355%0.54737%0.369SS..Hα-helixtrans-65.5-49.8176.1-157.30000111.4Q222 S223 I224 C228 K229 E230Q222-C226 VanDerWaalsContact O-CB 3.27Å; Q222-C226 WeakPolarHBondContact O-CB 3.44Å; Q222-C226 PolarHBondContact O-N 3.49Å; S223-C226 WeakPolarHBondContact O-CB 3.42Å; S223-C226 PolarHBondContact O-N 2.75Å; I224-C226 VanDerWaalsContact C-N 3.28Å; I224-C226 PolarHBondContact O-N 2.85Å; C226-C228 VanDerWaalsContact C-N 3.35Å; C226-C228 PolarHBondContact O-N 3.12Å; C226-K229 WeakPolarHBondContact O-CB 3.33Å; C226-K229 PolarHBondContact O-N 3.25Å; C226-E230 PolarHBondContact O-N 2.9Å
227A62.6Low60.2Low21 Ų2173.1 Ų73.117%0.17437%0.374CS..Hα-helixtrans-60.2-40.8178.100000112.6S223 I224 E230S223-A227 WeakPolarHBondContact O-CB 3.49Å; S223-A227 PolarHBondContact O-N 2.97Å; I224-A227 PolarHBondContact O-N 3.08Å; A227-E230 PolarHBondContact O-N 3.21Å
228C61.2Low60.5Low3 Ų369.6 Ų69.62%0.0236%0.359CS..Hα-helixtrans-70.4-31.8177.8-67.50000113.1I224 C226 E230 I231 I233 L235I224-C228 WeakPolarHBondContact O-CB 3.45Å; I224-C228 PolarHBondContact O-N 3.36Å; I224-C228 PolarHBondContact O-SG 3.03Å; C226-C228 VanDerWaalsContact C-N 3.35Å; C226-C228 PolarHBondContact O-N 3.12Å; C228-E230 VanDerWaalsContact C-N 3.26Å; C228-E230 PolarHBondContact O-N 3.15Å; C228-I231 PolarHBondContact O-N 2.8Å; C228-I233 PolarHBondContact O-N 3.42Å; C228-L235 HydrophobicContact CB-CB 4.01Å; C228-L235 HydrophobicContact CB-CD1 4.17Å; C228-L235 VanDerWaalsContact SG-CD1 3.51Å
229K62.8Low60.8Low174 Ų17467.7 Ų67.776%0.75734%0.343SS*.Hα-helixtrans-65.8-31.1178.4-167.4174.8-177.3-1780112V225 C226 I231V225-K229 WeakPolarHBondContact O-CB 3.47Å; V225-K229 PolarHBondContact O-N 2.81Å; V225-K229 VanDerWaalsContact O-N 3.1Å; C226-K229 WeakPolarHBondContact O-CB 3.33Å; C226-K229 PolarHBondContact O-N 3.25Å; K229-I231 PolarHBondContact O-N 3.33Å
230E58.9Low61.2Low175 Ų17563.7 Ų63.782%0.81833%0.326SS*.Hα-helixtrans-65.6-22.6178.7-148.3169.411300112.7C226 A227 C228C226-E230 PolarHBondContact O-N 2.9Å; A227-E230 PolarHBondContact O-N 3.21Å; C228-E230 VanDerWaalsContact C-N 3.26Å; C228-E230 PolarHBondContact O-N 3.15Å
231I59.1Low61.2Low55 Ų5567.2 Ų67.228%0.28234%0.343SS..THydrogen-bonded Turntrans-105.210.2-172-50.6-177000112.8C228 K229 I233 A274C228-I231 PolarHBondContact O-N 2.8Å; K229-I231 PolarHBondContact O-N 3.33Å; I231-I233 HydrophobicContact CB-CD1 3.79Å; I231-I233 HydrophobicContact CB-CG1 3.92Å; I231-I233 HydrophobicContact CG2-CD1 3.43Å; I231-I233 VanDerWaalsContact CG2-CD1 3.43Å; I231-I233 HydrophobicContact CG2-CG1 3.76Å; I231-I233 PolarHBondContact O-N 2.89Å; I231-A274 HydrophobicContact CD1-CB 3.09Å; I231-A274 HydrophobicContact CG1-CB 4.43Å
232K58.3Low61.1Low189 Ų18968.8 Ų68.882%0.82236%0.356SS*.THydrogen-bonded Turntrans51.835.9-170.7-60-179.2178.1178.80111.8
233I62Low61Low11 Ų1167.8 Ų67.86%0.05636%0.355CS..  trans-101.7124.2177.2-71178.5000107.3C228 I231 L235 V254C228-I233 PolarHBondContact O-N 3.42Å; I231-I233 HydrophobicContact CB-CD1 3.79Å; I231-I233 HydrophobicContact CB-CG1 3.92Å; I231-I233 HydrophobicContact CG2-CD1 3.43Å; I231-I233 VanDerWaalsContact CG2-CD1 3.43Å; I231-I233 HydrophobicContact CG2-CG1 3.76Å; I231-I233 PolarHBondContact O-N 2.89Å; I233-L235 PolarHBondContact O-N 2.88Å; I233-V254 HydrophobicContact CB-CG1 4.44Å; I233-V254 HydrophobicContact CG2-CB 4.44Å; I233-V254 HydrophobicContact CG2-CG1 2.99Å
234S57.8Low60.7Low71 Ų7169.3 Ų69.350%0.49738%0.377SS..EExtended strand (participates in β ladder)trans-81.9100.6175.2-61.40000108.9Q236 V255S234-Q236 PolarHBondContact O-N 3.08Å; S234-V255 CarbonylContact C-O 3.56Å; S234-V255 WeakPolarHBondContact CA-O 3.09Å; S234-V255 WeakPolarHBondContact CB-O 3.48Å; S234-V255 PolarHBondContact N-O 3.28Å; S234-V255 VanDerWaalsContact N-O 3.1Å; S234-V255 PolarHBondContact O-N 3.31Å
235L60.7Low60.2Low39 Ų3973.4 Ų73.420%0.20441%0.405CS..EExtended strand (participates in β ladder)trans-72.8119170.6-174.7145.1000108.8I224 V225 C228 I233 V238 V252I224-L235 HydrophobicContact CG2-CD1 3.3Å; V225-L235 HydrophobicContact CG2-CD2 4.24Å; C228-L235 HydrophobicContact CB-CB 4.01Å; C228-L235 HydrophobicContact CB-CD1 4.17Å; C228-L235 VanDerWaalsContact SG-CD1 3.51Å; I233-L235 PolarHBondContact O-N 2.88Å; L235-V238 HydrophobicContact CD1-CG2 4Å; L235-V238 HydrophobicContact CD2-CG2 3.58Å; L235-V238 HydrophobicContact CG-CG2 4.25Å; L235-V252 HydrophobicContact CD1-CG1 3.86Å; L235-V252 HydrophobicContact CG-CG1 4.46Å
236Q60.5Low59.6Low88 Ų8874.7 Ų74.741%0.41142%0.416SS..EExtended strand (participates in β ladder)trans-99.9-37.9-176.2-74.9-69-2.100112.4S234 T253 V255 W295S234-Q236 PolarHBondContact O-N 3.08Å; Q236-T253 PolarHBondContact N-O 3.03Å; Q236-V255 HydrophobicContact CB-CG2 4.07Å; Q236-V255 HydrophobicContact CG-CB 3.79Å; Q236-V255 HydrophobicContact CG-CG2 3.45Å; Q236-V255 VanDerWaalsContact CG-CG2 3.45Å; Q236-W295 HydrophobicContact CB-CD2 4.49Å; Q236-W295 HydrophobicContact CB-CH2 3.97Å; Q236-W295 HydrophobicContact CB-CZ2 3.67Å; Q236-W295 HydrophobicContact CB-CZ3 4.49Å; Q236-W295 HydrophobicContact CG-CD2 4.3Å; Q236-W295 HydrophobicContact CG-CZ2 4.09Å
237E59.5Low59.5Low58 Ų5872.2 Ų72.227%0.27140%0.404SS..EExtended strand (participates in β ladder)trans-150.1133.8-171.8-157.517963.200111.8I239 T253 W295E237-I239 HydrophobicContact CG-CD1 4.21Å; E237-I239 HydrophobicContact CG-CG1 3.85Å; E237-I239 WeakPolarHBondContact OE1-CD1 3.43Å; E237-T253 PolarHBondContact N-O 3.22Å; E237-T253 PolarHBondContact O-N 3.49Å; E237-W295 HydrophobicContact CB-CH2 4.38Å
238V62Low59.5Low4 Ų473.8 Ų73.82%0.02441%0.41CS..EExtended strand (participates in β ladder)trans-124.3110.5168.8-176.40000106.9I224 L235 I250 V252I224-V238 HydrophobicContact CG2-CG2 4.33Å; L235-V238 HydrophobicContact CD1-CG2 4Å; L235-V238 HydrophobicContact CD2-CG2 3.58Å; L235-V238 HydrophobicContact CG-CG2 4.25Å; V238-I250 HydrophobicContact CG1-CG2 3.5Å; V238-I250 VanDerWaalsContact CG1-CG2 3.5Å; V238-V252 HydrophobicContact CG1-CG2 4.45Å; V238-V252 HydrophobicContact CG2-CG1 4.49Å
239I62.1Low59.8Low55 Ų5577.2 Ų77.228%0.28242%0.424SS..EExtended strand (participates in β ladder)trans-105.5123.8177-56.9174.2000108E237 Q241 K251E237-I239 HydrophobicContact CG-CD1 4.21Å; E237-I239 HydrophobicContact CG-CG1 3.85Å; E237-I239 WeakPolarHBondContact OE1-CD1 3.43Å; I239-Q241 HydrophobicContact CG2-CG 4.07Å; I239-Q241 PolarHBondContact O-N 3.33Å; I239-K251 HydrophobicContact CB-CB 4.25Å; I239-K251 HydrophobicContact CD1-CD 4.36Å; I239-K251 PolarHBondContact N-O 3.44Å; I239-K251 PolarHBondContact O-N 3.03Å
240D64.1Low60.3Low38 Ų3869.2 Ų69.220%0.20339%0.39CS..EExtended strand (participates in β ladder)trans-75.8121.1165-173.7-89.1000109.3A216 S242A216-D240 HydrophobicContact CB-CB 4.09Å; D240-S242 WeakPolarHBondContact OD1-CB 3.3Å; D240-S242 PolarHBondContact OD1-N 3.48Å; D240-S242 PolarHBondContact OD1-OG 3.03Å
241Q59Low61.2Low89 Ų8963.7 Ų63.742%0.41636%0.363SS..  trans-112.230.1174.7-60-161.1-72.800110.3I239 D243 K249 K251I239-Q241 HydrophobicContact CG2-CG 4.07Å; I239-Q241 PolarHBondContact O-N 3.33Å; Q241-D243 PolarHBondContact O-N 3.46Å; Q241-K249 CarbonylContact C-O 3.52Å; Q241-K249 WeakPolarHBondContact CA-O 3.21Å; Q241-K249 HydrophobicContact CB-CB 4.34Å; Q241-K249 PolarHBondContact N-O 3.48Å; Q241-K249 WeakPolarHBondContact O-CB 3.34Å; Q241-K251 HydrophobicContact CG-CB 4.08Å
242S58.8Low62Low53 Ų5361.1 Ų61.137%0.37135%0.349SS..  trans-65.3102.6-17665.30000110.6D240 G244 K249D240-S242 WeakPolarHBondContact OD1-CB 3.3Å; D240-S242 PolarHBondContact OD1-N 3.48Å; D240-S242 PolarHBondContact OD1-OG 3.03Å; S242-G244 PolarHBondContact O-N 3.15Å; S242-K249 PolarHBondContact N-O 3.17Å
243D57.5Low62.9Low109 Ų10952.3 Ų52.358%0.58331%0.312SS*.  trans-75.149.9174.6-60-73.2000111Q241 C245 K249Q241-D243 PolarHBondContact O-N 3.46Å; D243-C245 WeakPolarHBondContact O-CA 3.45Å; D243-C245 WeakPolarHBondContact O-CB 3.34Å; D243-C245 PolarHBondContact O-N 3.03Å; D243-K249 WeakPolarHBondContact OD2-CD 3.5Å; D243-K249 IonicContact OD2-NZ 2.71Å; D243-K249 PolarHBondContact OD2-NZ 3.45Å
244G54.2Low63.6Low76 Ų7651.8 Ų51.878%0.78431%0.309SS*.SBendtrans49.13.2165.900000120.8S242S242-G244 PolarHBondContact O-N 3.15Å
245C54Low64.7Low85 Ų8548.8 Ų48.857%0.57429%0.287SS*.SBendtrans-126.4-34.6-156.41790000114.2D243D243-C245 WeakPolarHBondContact O-CA 3.45Å; D243-C245 WeakPolarHBondContact O-CB 3.34Å; D243-C245 PolarHBondContact O-N 3.03Å
246C52.2Low65.6Low94 Ų9447.3 Ų47.364%0.63528%0.28SS*.SBendtrans-158.732.6-174.150.30000116.4H283C246-H283 PolarHBondContact O-CD2 2.79Å; C246-H283 VanDerWaalsContact O-CD2 3.31Å
247G62.1Low66.5Low30 Ų3050.4 Ų50.431%0.30930%0.295SS..SBendtrans123.6168.7170.400000114.4K249G247-K249 PolarHBondContact O-N 2.77Å
248L61.6Low67.1Low54 Ų5451.4 Ų51.428%0.28330%0.302SS..  trans-65.7115.2-179.5-68.1169.2000109.7I250 H283 A284L248-I250 HydrophobicContact CB-CD1 4.16Å; L248-I250 HydrophobicContact CB-CG1 4.32Å; L248-H283 PolarHBondContact O-N 2.95Å; L248-A284 PolarHBondContact O-N 3.3Å; L248-A284 VanDerWaalsContact O-N 3.1Å
249K68.5Low67.9Low75 Ų7551.9 Ų51.933%0.32630%0.303SS..EExtended strand (participates in β ladder)trans-103.2116.9169.3-60.8-172.9-176.1170.30107.9Q241 S242 D243 G247 A284Q241-K249 CarbonylContact C-O 3.52Å; Q241-K249 WeakPolarHBondContact CA-O 3.21Å; Q241-K249 HydrophobicContact CB-CB 4.34Å; Q241-K249 PolarHBondContact N-O 3.48Å; Q241-K249 WeakPolarHBondContact O-CB 3.34Å; S242-K249 PolarHBondContact N-O 3.17Å; D243-K249 WeakPolarHBondContact OD2-CD 3.5Å; D243-K249 IonicContact OD2-NZ 2.71Å; D243-K249 PolarHBondContact OD2-NZ 3.45Å; G247-K249 PolarHBondContact O-N 2.77Å; K249-A284 CarbonylContact C-O 3.5Å; K249-A284 VanDerWaalsContact CA-O 3.27Å; K249-A284 WeakPolarHBondContact CA-O 3.44Å; K249-A284 HydrophobicContact CG-CB 4.14Å
250I72.5Confident68.6Low6 Ų656 Ų563%0.03132%0.32CS..EExtended strand (participates in β ladder)trans-125.3128.4-172.2-58.1-178.7000109.5Y220 V238 L248 V252 I282 A284 I285 S286Y220-I250 HydrophobicContact CD1-CD1 3.68Å; Y220-I250 HydrophobicContact CE1-CD1 3.08Å; Y220-I250 HydrophobicContact CE1-CG1 4.35Å; Y220-I250 HydrophobicContact CE1-CG2 4.2Å; Y220-I250 HydrophobicContact CE2-CD1 4.42Å; Y220-I250 VanDerWaalsContact CZ-CD1 3.46Å; V238-I250 HydrophobicContact CG1-CG2 3.5Å; V238-I250 VanDerWaalsContact CG1-CG2 3.5Å; L248-I250 HydrophobicContact CB-CD1 4.16Å; L248-I250 HydrophobicContact CB-CG1 4.32Å; I250-V252 HydrophobicContact CG2-CG2 3.91Å; I250-I282 HydrophobicContact CD1-CG2 4.42Å; I250-I282 HydrophobicContact CG1-CG2 4.47Å; I250-A284 PolarHBondContact N-O 3.5Å; I250-I285 CarbonylContact O-C 3.59Å; I250-I285 VanDerWaalsContact O-CA 3.29Å; I250-I285 WeakPolarHBondContact O-CA 3.43Å; I250-I285 WeakPolarHBondContact O-CG1 3.26Å; I250-S286 PolarHBondContact O-N 3.26Å
251K77.9Confident69.4Low59 Ų5958.4 Ų58.426%0.25735%0.353SS..EExtended strand (participates in β ladder)trans-102.2114.7176.5-179-174.5179.6-166.70109.2I239 Q241 S286 I288I239-K251 HydrophobicContact CB-CB 4.25Å; I239-K251 HydrophobicContact CD1-CD 4.36Å; I239-K251 PolarHBondContact N-O 3.44Å; I239-K251 PolarHBondContact O-N 3.03Å; Q241-K251 HydrophobicContact CG-CB 4.08Å; K251-S286 CarbonylContact C-O 3.58Å; K251-S286 VanDerWaalsContact CA-O 3.25Å; K251-S286 WeakPolarHBondContact CA-O 3.43Å; K251-I288 HydrophobicContact CD-CD1 4.38Å; K251-I288 HydrophobicContact CG-CD1 4.32Å
252V76Confident70.5Confident0 Ų058.8 Ų58.80%035%0.353CS..EExtended strand (participates in β ladder)trans-110.8117.8-177.2-174.90000109.2I224 L235 V238 I250 V254 I285 S286 I287 I288I224-V252 HydrophobicContact CD1-CG2 4.41Å; L235-V252 HydrophobicContact CD1-CG1 3.86Å; L235-V252 HydrophobicContact CG-CG1 4.46Å; V238-V252 HydrophobicContact CG1-CG2 4.45Å; V238-V252 HydrophobicContact CG2-CG1 4.49Å; I250-V252 HydrophobicContact CG2-CG2 3.91Å; V252-V254 HydrophobicContact CG1-CG2 3.73Å; V252-I285 HydrophobicContact CG2-CD1 3.91Å; V252-I285 HydrophobicContact CG2-CG1 4.14Å; V252-S286 PolarHBondContact N-O 3.2Å; V252-I287 CarbonylContact O-C 3.55Å; V252-I287 WeakPolarHBondContact O-CA 3.33Å; V252-I288 PolarHBondContact O-N 3.2Å
253T77.8Confident71.7Confident5 Ų563.9 Ų63.93%0.03137%0.369CS..EExtended strand (participates in β ladder)trans-99.4116.8173.4-520000110.2Q236 E237 I288 K290 W295Q236-T253 PolarHBondContact N-O 3.03Å; E237-T253 PolarHBondContact N-O 3.22Å; E237-T253 PolarHBondContact O-N 3.49Å; T253-I288 WeakPolarHBondContact CA-O 3.48Å; T253-I288 HydrophobicContact CG2-CB 4.25Å; T253-I288 HydrophobicContact CG2-CG2 4.25Å; T253-K290 HydrophobicContact CG2-CG 4.35Å; T253-W295 HydrophobicContact CG2-CE3 3.98Å; T253-W295 HydrophobicContact CG2-CH2 4.48Å; T253-W295 HydrophobicContact CG2-CZ3 3.58Å
254V77.2Confident72.9Confident0 Ų063.9 Ų63.90%037%0.368CS..EExtended strand (participates in β ladder)trans-112.4121.8-171.8-173.60000109.2I233 V252 F259 I271 I287 I288 S289 K290I233-V254 HydrophobicContact CB-CG1 4.44Å; I233-V254 HydrophobicContact CG2-CB 4.44Å; I233-V254 HydrophobicContact CG2-CG1 2.99Å; V252-V254 HydrophobicContact CG1-CG2 3.73Å; V254-F259 HydrophobicContact CB-CE2 4.38Å; V254-F259 HydrophobicContact CG1-CE2 3.85Å; V254-F259 HydrophobicContact CG1-CZ 3.86Å; V254-I271 HydrophobicContact CB-CD1 4.07Å; V254-I271 HydrophobicContact CG1-CD1 4.19Å; V254-I271 HydrophobicContact CG1-CG1 4.42Å; V254-I271 HydrophobicContact CG2-CD1 4.14Å; V254-I271 HydrophobicContact CG2-CG2 4.32Å; V254-I287 HydrophobicContact CG2-CG2 4.4Å; V254-I288 PolarHBondContact N-O 3.41Å; V254-S289 CarbonylContact O-C 3.58Å; V254-S289 WeakPolarHBondContact O-CA 3.44Å; V254-K290 PolarHBondContact O-N 3.2Å
255V79.5Confident74.4Confident7 Ų764.2 Ų64.24%0.04235%0.354CS..EExtended strand (participates in β ladder)trans-113.4122.1179.5-175.60000109.9S234 Q236 K290 P292 W295S234-V255 CarbonylContact C-O 3.56Å; S234-V255 WeakPolarHBondContact CA-O 3.09Å; S234-V255 WeakPolarHBondContact CB-O 3.48Å; S234-V255 PolarHBondContact N-O 3.28Å; S234-V255 VanDerWaalsContact N-O 3.1Å; S234-V255 PolarHBondContact O-N 3.31Å; Q236-V255 HydrophobicContact CB-CG2 4.07Å; Q236-V255 HydrophobicContact CG-CB 3.79Å; Q236-V255 HydrophobicContact CG-CG2 3.45Å; Q236-V255 VanDerWaalsContact CG-CG2 3.45Å; V255-K290 WeakPolarHBondContact CA-O 3.17Å; V255-K290 HydrophobicContact CG2-CB 4.27Å; V255-P292 HydrophobicContact CG1-CB 4.21Å; V255-W295 HydrophobicContact CG1-CB 4.02Å; V255-W295 HydrophobicContact CG1-CG 4.41Å; V255-W295 HydrophobicContact CG2-CB 3.82Å; V255-W295 HydrophobicContact CG2-CD2 3.77Å; V255-W295 HydrophobicContact CG2-CE3 3.93Å; V255-W295 HydrophobicContact CG2-CG 3.73Å
256S79.8Confident75.8Confident8 Ų863.8 Ų63.86%0.05635%0.346CS..  trans-149.3143.4176.1-171.50000111.5L258 F259 K290S256-L258 PolarHBondContact O-N 3.26Å; S256-L258 WeakPolarHBondContact OG-CB 3.37Å; S256-L258 PolarHBondContact OG-N 3.49Å; S256-F259 VanDerWaalsContact CB-CE2 3.49Å; S256-F259 WeakPolarHBondContact O-CD2 3.34Å; S256-F259 PolarHBondContact O-N 3.06Å; S256-K290 PolarHBondContact N-O 3.27Å
257E80Confident77.3Confident153 Ų15359.5 Ų59.572%0.71532%0.317SS*.G310 helixtrans-63.9-24.7168.7-68.3179.7-178.100111.8F259 K260 P292E257-F259 PolarHBondContact O-N 3.01Å; E257-F259 VanDerWaalsContact O-N 3.16Å; E257-K260 VanDerWaalsContact O-CB 3.24Å; E257-K260 WeakPolarHBondContact O-CB 3.39Å; E257-K260 PolarHBondContact O-N 3.19Å; E257-P292 HydrophobicContact CG-CG 3.88Å
258L73.1Confident78.2Confident80 Ų8060.4 Ų60.442%0.41931%0.314SS..G310 helixtrans-67.5-14.2-179.9-61179.6000113.6S256 K260 K262 M270S256-L258 PolarHBondContact O-N 3.26Å; S256-L258 WeakPolarHBondContact OG-CB 3.37Å; S256-L258 PolarHBondContact OG-N 3.49Å; L258-K260 VanDerWaalsContact C-N 3.3Å; L258-K262 VanDerWaalsContact O-CD 3.28Å; L258-K262 WeakPolarHBondContact O-CD 3.27Å; L258-K262 VanDerWaalsContact O-CE 3.28Å; L258-K262 WeakPolarHBondContact O-CE 3.43Å; L258-M270 HydrophobicContact CD1-CE 4.35Å
259F77.6Confident79.3Confident13 Ų1363 Ų636%0.05732%0.324CS..G310 helixtrans-81.8-9.7174.4-56.6-43.7000112.7V254 S256 E257 G261 K262 C267 I271 K290 T291V254-F259 HydrophobicContact CB-CE2 4.38Å; V254-F259 HydrophobicContact CG1-CE2 3.85Å; V254-F259 HydrophobicContact CG1-CZ 3.86Å; S256-F259 VanDerWaalsContact CB-CE2 3.49Å; S256-F259 WeakPolarHBondContact O-CD2 3.34Å; S256-F259 PolarHBondContact O-N 3.06Å; E257-F259 PolarHBondContact O-N 3.01Å; E257-F259 VanDerWaalsContact O-N 3.16Å; F259-G261 PolarHBondContact O-N 3.42Å; F259-G261 VanDerWaalsContact O-N 3.14Å; F259-K262 PolarHBondContact O-N 3.38Å; F259-C267 HydrophobicContact CD1-CB 3.57Å; F259-C267 WeakPolarHBondContact CD1-SG 3.24Å; F259-C267 HydrophobicContact CE1-CB 3.81Å; F259-C267 HydrophobicContact CG-CB 4.44Å; F259-I271 HydrophobicContact CE1-CD1 4.24Å; F259-I271 HydrophobicContact CE1-CG1 4.41Å; F259-I271 HydrophobicContact CZ-CD1 3.78Å; F259-I271 HydrophobicContact CZ-CG1 4.08Å; F259-K290 WeakPolarHBondContact CD2-O 3.35Å; F259-T291 HydrophobicContact CB-CG2 4.38Å
260K78.3Confident79.8Confident143 Ų14361.6 Ų61.662%0.62232%0.319SS*.THydrogen-bonded Turntrans-68.8110.7177.5-167.7166.3-177.3161.60109.8E257 L258 E293E257-K260 VanDerWaalsContact O-CB 3.24Å; E257-K260 WeakPolarHBondContact O-CB 3.39Å; E257-K260 PolarHBondContact O-N 3.19Å; L258-K260 VanDerWaalsContact C-N 3.3Å; K260-E293 IonicContact NZ-OE1 2.82Å; K260-E293 PolarHBondContact NZ-OE1 2.93Å
261G80.6Confident80.1Confident87 Ų8761.4 Ų61.490%0.89732%0.318SS*.THydrogen-bonded Turntrans890.2175.900000116.1F259F259-G261 PolarHBondContact O-N 3.42Å; F259-G261 VanDerWaalsContact O-N 3.14Å
262K80.5Confident80.3Confident98 Ų9862.5 Ų62.543%0.42632%0.321SS..SBendtrans-92.1155.3172.7-64.4-170.9-173.8-178.10111.3L258 F259 M270L258-K262 VanDerWaalsContact O-CD 3.28Å; L258-K262 WeakPolarHBondContact O-CD 3.27Å; L258-K262 VanDerWaalsContact O-CE 3.28Å; L258-K262 WeakPolarHBondContact O-CE 3.43Å; F259-K262 PolarHBondContact O-N 3.38Å; K262-M270 HydrophobicContact CD-SD 4.02Å; K262-M270 PolarHBondContact NZ-SD 3.02Å
263K85.3Confident80.6Confident160 Ų16068 Ų6870%0.69635%0.351SS*.  trans-72148.6172.5-63.5178.1178.21750109.4V265 D266 C267K263-V265 PolarHBondContact O-N 3.23Å; K263-V265 VanDerWaalsContact O-N 3.16Å; K263-D266 WeakPolarHBondContact CB-OD2 3.47Å; K263-D266 WeakPolarHBondContact O-CB 3.43Å; K263-D266 PolarHBondContact O-N 3.41Å; K263-C267 PolarHBondContact O-N 3.13Å; K263-C267 PolarHBondContact O-SG 2.85Å
264L82.8Confident80.4Confident109 Ų10968.3 Ų68.357%0.57135%0.354SS*.Hα-helixtrans-54.6-36.2178.5-177.5150.5000112.6C267 H268L264-C267 WeakPolarHBondContact O-CB 3.43Å; L264-C267 PolarHBondContact O-N 2.75Å; L264-H268 WeakPolarHBondContact CD2-CE1 3.29Å; L264-H268 PolarHBondContact O-CD2 2.8Å; L264-H268 PolarHBondContact O-N 2.86Å
265V84.6Confident80.3Confident82 Ų8268.4 Ų68.450%0.49735%0.354SS..Hα-helixtrans-63.4-43.5175.9-179.80000111.7K263 C267 H268 H269K263-V265 PolarHBondContact O-N 3.23Å; K263-V265 VanDerWaalsContact O-N 3.16Å; V265-C267 VanDerWaalsContact C-N 3.32Å; V265-C267 PolarHBondContact O-N 3.02Å; V265-H268 PolarHBondContact O-N 2.81Å; V265-H269 PolarHBondContact O-N 2.84Å
266D83.6Confident80.3Confident76 Ų7674.8 Ų74.841%0.40638%0.382SS..Hα-helixtrans-65.5-39.8177.6-58.7-43.4000110.6K263 H268 H269 M270K263-D266 WeakPolarHBondContact CB-OD2 3.47Å; K263-D266 WeakPolarHBondContact O-CB 3.43Å; K263-D266 PolarHBondContact O-N 3.41Å; D266-H268 VanDerWaalsContact C-N 3.35Å; D266-H269 PolarHBondContact O-N 3.5Å; D266-M270 VanDerWaalsContact O-CG 3.31Å; D266-M270 WeakPolarHBondContact O-CG 3.18Å; D266-M270 PolarHBondContact O-N 2.91Å
267C83.3Confident80.1Confident4 Ų480.9 Ų80.93%0.02741%0.413CS..Hα-helixtrans-60.9-44.1174.1-57.80000111.5F259 K263 L264 V265 M270 I271F259-C267 HydrophobicContact CD1-CB 3.57Å; F259-C267 WeakPolarHBondContact CD1-SG 3.24Å; F259-C267 HydrophobicContact CE1-CB 3.81Å; F259-C267 HydrophobicContact CG-CB 4.44Å; K263-C267 PolarHBondContact O-N 3.13Å; K263-C267 PolarHBondContact O-SG 2.85Å; L264-C267 WeakPolarHBondContact O-CB 3.43Å; L264-C267 PolarHBondContact O-N 2.75Å; V265-C267 VanDerWaalsContact C-N 3.32Å; V265-C267 PolarHBondContact O-N 3.02Å; C267-M270 PolarHBondContact O-N 3.2Å; C267-I271 WeakPolarHBondContact O-CG1 3.41Å; C267-I271 PolarHBondContact O-N 3.27Å
268H82.9Confident79.5Confident49 Ų4975.1 Ų75.123%0.22739%0.387CS..Hα-helixtrans-63.7-45.3177.2-76.7-165.7000111.7L264 V265 D266 M270 I271 Y272L264-H268 WeakPolarHBondContact CD2-CE1 3.29Å; L264-H268 PolarHBondContact O-CD2 2.8Å; L264-H268 PolarHBondContact O-N 2.86Å; V265-H268 PolarHBondContact O-N 2.81Å; D266-H268 VanDerWaalsContact C-N 3.35Å; H268-M270 VanDerWaalsContact C-N 3.32Å; H268-M270 PolarHBondContact O-N 2.94Å; H268-I271 PolarHBondContact O-N 3.44Å; H268-I271 VanDerWaalsContact O-N 3.13Å; H268-Y272 HydrophobicContact CB-CD2 4.2Å; H268-Y272 HydrophobicContact CB-CE2 4.06Å; H268-Y272 WeakPolarHBondContact O-CD2 3.38Å; H268-Y272 PolarHBondContact O-N 3.25Å
269H82.9Confident79.4Confident109 Ų10975 Ų7551%0.50538%0.384SS..Hα-helixtrans-58.2-44.2176.4-72.5-179.1000111.7V265 D266 I271 Y272 D273V265-H269 PolarHBondContact O-N 2.84Å; D266-H269 PolarHBondContact O-N 3.5Å; H269-I271 VanDerWaalsContact C-N 3.25Å; H269-I271 PolarHBondContact O-N 3.13Å; H269-Y272 PolarHBondContact O-N 2.94Å; H269-D273 WeakPolarHBondContact O-CB 3.49Å; H269-D273 PolarHBondContact O-N 3.25Å
270M79Confident79.1Confident46 Ų4679.6 Ų79.623%0.22742%0.416CS..Hα-helixtrans-57.6-37.7176.3-71.4177.366.100113L258 K262 D266 C267 H268 A274L258-M270 HydrophobicContact CD1-CE 4.35Å; K262-M270 HydrophobicContact CD-SD 4.02Å; K262-M270 PolarHBondContact NZ-SD 3.02Å; D266-M270 VanDerWaalsContact O-CG 3.31Å; D266-M270 WeakPolarHBondContact O-CG 3.18Å; D266-M270 PolarHBondContact O-N 2.91Å; C267-M270 PolarHBondContact O-N 3.2Å; H268-M270 VanDerWaalsContact C-N 3.32Å; H268-M270 PolarHBondContact O-N 2.94Å; M270-A274 PolarHBondContact O-N 3.15Å
271I79.5Confident78.6Confident2 Ų276.1 Ų76.11%0.0141%0.41CS..Hα-helixtrans-79.6-37.5-179.6-58.1163.4000110.8V254 F259 C267 H268 H269 A274 L275 I287V254-I271 HydrophobicContact CB-CD1 4.07Å; V254-I271 HydrophobicContact CG1-CD1 4.19Å; V254-I271 HydrophobicContact CG1-CG1 4.42Å; V254-I271 HydrophobicContact CG2-CD1 4.14Å; V254-I271 HydrophobicContact CG2-CG2 4.32Å; F259-I271 HydrophobicContact CE1-CD1 4.24Å; F259-I271 HydrophobicContact CE1-CG1 4.41Å; F259-I271 HydrophobicContact CZ-CD1 3.78Å; F259-I271 HydrophobicContact CZ-CG1 4.08Å; C267-I271 WeakPolarHBondContact O-CG1 3.41Å; C267-I271 PolarHBondContact O-N 3.27Å; H268-I271 PolarHBondContact O-N 3.44Å; H268-I271 VanDerWaalsContact O-N 3.13Å; H269-I271 VanDerWaalsContact C-N 3.25Å; H269-I271 PolarHBondContact O-N 3.13Å; I271-A274 VanDerWaalsContact O-CB 3.27Å; I271-A274 WeakPolarHBondContact O-CB 3.14Å; I271-A274 PolarHBondContact O-N 3.41Å; I271-L275 HydrophobicContact CG2-CD1 3.73Å; I271-L275 HydrophobicContact CG2-CG 4.31Å; I271-L275 WeakPolarHBondContact O-CB 3.22Å; I271-L275 WeakPolarHBondContact O-CG 3.38Å; I271-L275 PolarHBondContact O-N 2.94Å; I271-I287 HydrophobicContact CB-CD1 4.47Å; I271-I287 HydrophobicContact CB-CG2 4.17Å; I271-I287 HydrophobicContact CD1-CG2 3.47Å; I271-I287 VanDerWaalsContact CD1-CG2 3.47Å; I271-I287 HydrophobicContact CG1-CG2 4.39Å; I271-I287 HydrophobicContact CG2-CD1 3.85Å; I271-I287 HydrophobicContact CG2-CG1 4.31Å; I271-I287 HydrophobicContact CG2-CG2 3.74Å
272Y81.7Confident78.1Confident82 Ų8272.9 Ų72.932%0.32237%0.371SS..Hα-helixtrans-65.7-40.2175.4-75.9-56.1000112.4H268 H269 A274 L275 K276 M279 I285 I287H268-Y272 HydrophobicContact CB-CD2 4.2Å; H268-Y272 HydrophobicContact CB-CE2 4.06Å; H268-Y272 WeakPolarHBondContact O-CD2 3.38Å; H268-Y272 PolarHBondContact O-N 3.25Å; H269-Y272 PolarHBondContact O-N 2.94Å; Y272-A274 VanDerWaalsContact C-N 3.26Å; Y272-A274 PolarHBondContact O-N 3.38Å; Y272-L275 CarbonylContact O-C 3.6Å; Y272-L275 PolarHBondContact O-N 3.49Å; Y272-K276 PolarHBondContact O-N 3.22Å; Y272-M279 HydrophobicContact CD1-CE 3.26Å; Y272-M279 HydrophobicContact CD1-SD 4.2Å; Y272-M279 HydrophobicContact CE1-CE 3.36Å; Y272-M279 HydrophobicContact CG-CE 4.42Å; Y272-I285 HydrophobicContact CE1-CG2 4.24Å; Y272-I287 HydrophobicContact CD1-CD1 3.79Å; Y272-I287 HydrophobicContact CE1-CD1 3.44Å; Y272-I287 VanDerWaalsContact CE1-CD1 3.44Å; Y272-I287 HydrophobicContact CE2-CD1 4.46Å; Y272-I287 HydrophobicContact CG-CD1 4.44Å
273D81.9Confident77.3Confident116 Ų11675 Ų7562%0.6238%0.383SS*.Hα-helixtrans-62.3-36174.1-79.2-36.1000111.5H269H269-D273 WeakPolarHBondContact O-CB 3.49Å; H269-D273 PolarHBondContact O-N 3.25Å
274A74.8Confident76.7Confident11 Ų1169.5 Ų69.59%0.09137%0.367CS..Hα-helixtrans-65.8-40.1174.800000113.7I231 M270 I271 Y272I231-A274 HydrophobicContact CD1-CB 3.09Å; I231-A274 HydrophobicContact CG1-CB 4.43Å; M270-A274 PolarHBondContact O-N 3.15Å; I271-A274 VanDerWaalsContact O-CB 3.27Å; I271-A274 WeakPolarHBondContact O-CB 3.14Å; I271-A274 PolarHBondContact O-N 3.41Å; Y272-A274 VanDerWaalsContact C-N 3.26Å; Y272-A274 PolarHBondContact O-N 3.38Å
275L75Confident76.3Confident1 Ų165.8 Ų65.81%0.00535%0.347CS..THydrogen-bonded Turntrans-98.18.1-172.6-65176.7000112.5I224 I271 Y272 D277 E278 M279 I285 I287I224-L275 HydrophobicContact CD1-CD2 4.13Å; I224-L275 HydrophobicContact CG1-CD2 4.1Å; I224-L275 HydrophobicContact CG2-CD2 4.38Å; I271-L275 HydrophobicContact CG2-CD1 3.73Å; I271-L275 HydrophobicContact CG2-CG 4.31Å; I271-L275 WeakPolarHBondContact O-CB 3.22Å; I271-L275 WeakPolarHBondContact O-CG 3.38Å; I271-L275 PolarHBondContact O-N 2.94Å; Y272-L275 CarbonylContact O-C 3.6Å; Y272-L275 PolarHBondContact O-N 3.49Å; L275-D277 VanDerWaalsContact C-N 3.25Å; L275-D277 PolarHBondContact O-N 3.01Å; L275-E278 CarbonylContact O-C 3.58Å; L275-E278 PolarHBondContact O-N 2.89Å; L275-M279 WeakPolarHBondContact O-CG 3.43Å; L275-M279 PolarHBondContact O-N 3.48Å; L275-I285 HydrophobicContact CD1-CD1 3.66Å; L275-I287 HydrophobicContact CD1-CD1 4.32Å
276K78.8Confident76Confident142 Ų14264.8 Ų64.862%0.61734%0.344SS*.THydrogen-bonded Turntrans-57.8-38.8-175.2-174177.6179.3-179.80112.4Y272 E278Y272-K276 PolarHBondContact O-N 3.22Å; K276-E278 VanDerWaalsContact C-N 3.3Å; K276-E278 PolarHBondContact O-N 3.03Å
277D76.1Confident75.8Confident135 Ų13562 Ų6272%0.72233%0.329SS*.THydrogen-bonded Turntrans-70.3-26.5177.8-65.3-81.8000112.8L275 P280L275-D277 VanDerWaalsContact C-N 3.25Å; L275-D277 PolarHBondContact O-N 3.01Å; D277-P280 WeakPolarHBondContact O-CD 3.28Å
278E68.4Low75.8Confident33 Ų3364.2 Ų64.215%0.15434%0.34CS..THydrogen-bonded Turntrans-94.2-20.9-178.7-63.2-58.5132.300113.4Y220 S223 I224 L275 K276 S281 I282Y220-E278 HydrophobicContact CE2-CB 4.44Å; S223-E278 WeakPolarHBondContact CB-OE1 3.46Å; S223-E278 WeakPolarHBondContact CB-OE2 3.44Å; S223-E278 PolarHBondContact OG-OE1 2.76Å; S223-E278 PolarHBondContact OG-OE2 3.37Å; I224-E278 HydrophobicContact CG1-CG 4.4Å; L275-E278 CarbonylContact O-C 3.58Å; L275-E278 PolarHBondContact O-N 2.89Å; K276-E278 VanDerWaalsContact C-N 3.3Å; K276-E278 PolarHBondContact O-N 3.03Å; E278-S281 PolarHBondContact O-N 3.28Å; E278-S281 VanDerWaalsContact O-N 3.15Å; E278-I282 HydrophobicContact CB-CD1 4.3Å; E278-I282 VanDerWaalsContact O-CD1 3.26Å; E278-I282 WeakPolarHBondContact O-CD1 3.11Å; E278-I282 WeakPolarHBondContact O-CG1 3.44Å
279M70.7Confident75.7Confident76 Ų7663 Ų6337%0.37434%0.337SS..G310 helixtrans-48.8-42.3175.6-85.1-165.1132.700116.1Y272 L275 S281 I282 I285Y272-M279 HydrophobicContact CD1-CE 3.26Å; Y272-M279 HydrophobicContact CD1-SD 4.2Å; Y272-M279 HydrophobicContact CE1-CE 3.36Å; Y272-M279 HydrophobicContact CG-CE 4.42Å; L275-M279 WeakPolarHBondContact O-CG 3.43Å; L275-M279 PolarHBondContact O-N 3.48Å; M279-S281 PolarHBondContact O-N 3Å; M279-S281 VanDerWaalsContact O-N 3.11Å; M279-I282 PolarHBondContact O-N 3.45Å; M279-I282 VanDerWaalsContact O-N 3.12Å; M279-I285 HydrophobicContact CE-CG2 4.41Å
280P71.4Confident75.6Confident110 Ų11060.4 Ų60.471%0.71432%0.324SS*.G310 helixtrans-62.6-21-178.422.4-33.7000113.9D277D277-P280 WeakPolarHBondContact O-CD 3.28Å
281S67.6Low75.8Confident71 Ų7159.2 Ų59.250%0.49732%0.32SS..G310 helixtrans-87.6-12.5-179.8-59.90000113.3E278 M279E278-S281 PolarHBondContact O-N 3.28Å; E278-S281 VanDerWaalsContact O-N 3.15Å; M279-S281 PolarHBondContact O-N 3Å; M279-S281 VanDerWaalsContact O-N 3.11Å
282I68.4Low75.8Confident18 Ų1861 Ų619%0.09233%0.332CS..  trans-113.9121.2-168.5-45.2154.3000108.9Y220 I250 E278 M279 A284 I285Y220-I282 HydrophobicContact CE2-CD1 3.62Å; Y220-I282 HydrophobicContact CE2-CG1 3.34Å; Y220-I282 WeakPolarHBondContact OH-CD1 3.4Å; Y220-I282 WeakPolarHBondContact OH-CG1 3.37Å; I250-I282 HydrophobicContact CD1-CG2 4.42Å; I250-I282 HydrophobicContact CG1-CG2 4.47Å; E278-I282 HydrophobicContact CB-CD1 4.3Å; E278-I282 VanDerWaalsContact O-CD1 3.26Å; E278-I282 WeakPolarHBondContact O-CD1 3.11Å; E278-I282 WeakPolarHBondContact O-CG1 3.44Å; M279-I282 PolarHBondContact O-N 3.45Å; M279-I282 VanDerWaalsContact O-N 3.12Å; I282-A284 VanDerWaalsContact CG2-O 3.28Å; I282-A284 WeakPolarHBondContact CG2-O 3.19Å; I282-I285 HydrophobicContact CD1-CD1 4.3Å; I282-I285 HydrophobicContact CG2-CB 4.16Å
283H64.6Low75.7Confident143 Ų14361.9 Ų61.966%0.66234%0.338SS*.SBendtrans-75.5-33.5-179.8-77.162.8000112.1C246 L248C246-H283 PolarHBondContact O-CD2 2.79Å; C246-H283 VanDerWaalsContact O-CD2 3.31Å; L248-H283 PolarHBondContact O-N 2.95Å
284A72.1Confident75.8Confident45 Ų4560.8 Ų60.837%0.37233%0.33SS..EExtended strand (participates in β ladder)trans-150.1139.5170.200000111.5L248 K249 I250 I282L248-A284 PolarHBondContact O-N 3.3Å; L248-A284 VanDerWaalsContact O-N 3.1Å; K249-A284 CarbonylContact C-O 3.5Å; K249-A284 VanDerWaalsContact CA-O 3.27Å; K249-A284 WeakPolarHBondContact CA-O 3.44Å; K249-A284 HydrophobicContact CG-CB 4.14Å; I250-A284 PolarHBondContact N-O 3.5Å; I282-A284 VanDerWaalsContact CG2-O 3.28Å; I282-A284 WeakPolarHBondContact CG2-O 3.19Å
285I76.1Confident76.1Confident30 Ų3062.1 Ų62.115%0.15433%0.332CS..EExtended strand (participates in β ladder)trans-126.5132.7176.4-165177.5000110.6I250 V252 Y272 L275 M279 I282 I287I250-I285 CarbonylContact O-C 3.59Å; I250-I285 VanDerWaalsContact O-CA 3.29Å; I250-I285 WeakPolarHBondContact O-CA 3.43Å; I250-I285 WeakPolarHBondContact O-CG1 3.26Å; V252-I285 HydrophobicContact CG2-CD1 3.91Å; V252-I285 HydrophobicContact CG2-CG1 4.14Å; Y272-I285 HydrophobicContact CE1-CG2 4.24Å; L275-I285 HydrophobicContact CD1-CD1 3.66Å; M279-I285 HydrophobicContact CE-CG2 4.41Å; I282-I285 HydrophobicContact CD1-CD1 4.3Å; I282-I285 HydrophobicContact CG2-CB 4.16Å; I285-I287 HydrophobicContact CD1-CD1 4.24Å; I285-I287 HydrophobicContact CD1-CG1 3.94Å; I285-I287 HydrophobicContact CG1-CG1 3.99Å; I285-I287 HydrophobicContact CG2-CD1 4.24Å; I285-I287 HydrophobicContact CG2-CG1 4.36Å
286S78.1Confident76.4Confident61 Ų6168.3 Ų68.343%0.42736%0.361SS..EExtended strand (participates in β ladder)trans-107.9100.2174.6-73.60000108.9I250 K251 V252I250-S286 PolarHBondContact O-N 3.26Å; K251-S286 CarbonylContact C-O 3.58Å; K251-S286 VanDerWaalsContact CA-O 3.25Å; K251-S286 WeakPolarHBondContact CA-O 3.43Å; V252-S286 PolarHBondContact N-O 3.2Å
287I79.6Confident76.5Confident18 Ų1869.2 Ų69.29%0.09237%0.365CS..EExtended strand (participates in β ladder)trans-92.9132.1-178.2-61.1163.7000109.7V252 V254 I271 Y272 L275 I285V252-I287 CarbonylContact O-C 3.55Å; V252-I287 WeakPolarHBondContact O-CA 3.33Å; V254-I287 HydrophobicContact CG2-CG2 4.4Å; I271-I287 HydrophobicContact CB-CD1 4.47Å; I271-I287 HydrophobicContact CB-CG2 4.17Å; I271-I287 HydrophobicContact CD1-CG2 3.47Å; I271-I287 VanDerWaalsContact CD1-CG2 3.47Å; I271-I287 HydrophobicContact CG1-CG2 4.39Å; I271-I287 HydrophobicContact CG2-CD1 3.85Å; I271-I287 HydrophobicContact CG2-CG1 4.31Å; I271-I287 HydrophobicContact CG2-CG2 3.74Å; Y272-I287 HydrophobicContact CD1-CD1 3.79Å; Y272-I287 HydrophobicContact CE1-CD1 3.44Å; Y272-I287 VanDerWaalsContact CE1-CD1 3.44Å; Y272-I287 HydrophobicContact CE2-CD1 4.46Å; Y272-I287 HydrophobicContact CG-CD1 4.44Å; L275-I287 HydrophobicContact CD1-CD1 4.32Å; I285-I287 HydrophobicContact CD1-CD1 4.24Å; I285-I287 HydrophobicContact CD1-CG1 3.94Å; I285-I287 HydrophobicContact CG1-CG1 3.99Å; I285-I287 HydrophobicContact CG2-CD1 4.24Å; I285-I287 HydrophobicContact CG2-CG1 4.36Å
288I82Confident76.3Confident50 Ų5067.2 Ų67.226%0.25635%0.353SS..EExtended strand (participates in β ladder)trans-121.8107.2174.9-57.3-175.4000108.8K251 V252 T253 V254 K290K251-I288 HydrophobicContact CD-CD1 4.38Å; K251-I288 HydrophobicContact CG-CD1 4.32Å; V252-I288 PolarHBondContact O-N 3.2Å; T253-I288 WeakPolarHBondContact CA-O 3.48Å; T253-I288 HydrophobicContact CG2-CB 4.25Å; T253-I288 HydrophobicContact CG2-CG2 4.25Å; V254-I288 PolarHBondContact N-O 3.41Å; I288-K290 HydrophobicContact CG2-CD 4.15Å; I288-K290 HydrophobicContact CG2-CG 3.93Å
289S81.8Confident76.4Confident23 Ų2369.6 Ų69.616%0.16137%0.367CS..EExtended strand (participates in β ladder)trans-85.7125.5170.960.30000110.8V254V254-S289 CarbonylContact O-C 3.58Å; V254-S289 WeakPolarHBondContact O-CA 3.44Å
290K80.9Confident76.6Confident56 Ų5668.5 Ų68.524%0.24337%0.37CS..EExtended strand (participates in β ladder)trans-129147.9175.4-61.6-68.7177.7170.10111T253 V254 V255 S256 F259 I288 Q294 M298T253-K290 HydrophobicContact CG2-CG 4.35Å; V254-K290 PolarHBondContact O-N 3.2Å; V255-K290 WeakPolarHBondContact CA-O 3.17Å; V255-K290 HydrophobicContact CG2-CB 4.27Å; S256-K290 PolarHBondContact N-O 3.27Å; F259-K290 WeakPolarHBondContact CD2-O 3.35Å; I288-K290 HydrophobicContact CG2-CD 4.15Å; I288-K290 HydrophobicContact CG2-CG 3.93Å; K290-Q294 HydrophobicContact CB-CB 4.34Å; K290-Q294 HydrophobicContact CD-CB 4.28Å; K290-M298 HydrophobicContact CD-SD 4.08Å; K290-M298 VanDerWaalsContact CE-SD 3.59Å
291T82.9Confident76.4Confident21 Ų2166.2 Ų66.213%0.12936%0.36CS..  trans-76.6155.7164.962.50000109.8F259 E293 Q294 W295F259-T291 HydrophobicContact CB-CG2 4.38Å; T291-E293 PolarHBondContact O-N 3.48Å; T291-Q294 VanDerWaalsContact N-OE1 3.12Å; T291-Q294 WeakPolarHBondContact O-CB 3.31Å; T291-Q294 PolarHBondContact O-N 3.01Å; T291-Q294 WeakPolarHBondContact OG1-CB 3.44Å; T291-Q294 VanDerWaalsContact OG1-CG 3.23Å; T291-Q294 WeakPolarHBondContact OG1-CG 3.19Å; T291-Q294 PolarHBondContact OG1-N 2.74Å; T291-Q294 PolarHBondContact OG1-OE1 3.35Å; T291-W295 PolarHBondContact O-N 2.87Å
292P78.8Confident76.1Confident40 Ų4065.9 Ų65.926%0.2636%0.362SS..Hα-helixtrans-54.9-40.9175.319.9-32.1000112.1V255 E257 Q294 W295 E296V255-P292 HydrophobicContact CG1-CB 4.21Å; E257-P292 HydrophobicContact CG-CG 3.88Å; P292-Q294 VanDerWaalsContact C-N 3.29Å; P292-Q294 PolarHBondContact O-N 2.87Å; P292-W295 WeakPolarHBondContact O-CB 3.43Å; P292-W295 PolarHBondContact O-N 3.19Å; P292-W295 VanDerWaalsContact O-N 3.14Å; P292-E296 WeakPolarHBondContact O-CG 3.49Å; P292-E296 PolarHBondContact O-N 3.17Å
293E80.5Confident75.6Confident99 Ų9970.4 Ų70.446%0.46339%0.39SS..Hα-helixtrans-60-36.2175.5-62.6173-16000113.1K260 T291 K297K260-E293 IonicContact NZ-OE1 2.82Å; K260-E293 PolarHBondContact NZ-OE1 2.93Å; T291-E293 PolarHBondContact O-N 3.48Å; E293-K297 WeakPolarHBondContact O-CG 3.48Å; E293-K297 PolarHBondContact O-N 2.75Å
294Q82.9Confident74.8Confident93 Ų9371.7 Ų71.744%0.43540%0.396SS..Hα-helixtrans-75-38.8175.8-75172.2-19.800111.8K290 T291 P292 K297 M298K290-Q294 HydrophobicContact CB-CB 4.34Å; K290-Q294 HydrophobicContact CD-CB 4.28Å; T291-Q294 VanDerWaalsContact N-OE1 3.12Å; T291-Q294 WeakPolarHBondContact O-CB 3.31Å; T291-Q294 PolarHBondContact O-N 3.01Å; T291-Q294 WeakPolarHBondContact OG1-CB 3.44Å; T291-Q294 VanDerWaalsContact OG1-CG 3.23Å; T291-Q294 WeakPolarHBondContact OG1-CG 3.19Å; T291-Q294 PolarHBondContact OG1-N 2.74Å; T291-Q294 PolarHBondContact OG1-OE1 3.35Å; P292-Q294 VanDerWaalsContact C-N 3.29Å; P292-Q294 PolarHBondContact O-N 2.87Å; Q294-K297 PolarHBondContact O-N 3.28Å; Q294-M298 PolarHBondContact O-N 2.81Å
295W81.4Confident73.4Confident39 Ų3978.3 Ų78.315%0.14843%0.432CS..Hα-helixtrans-63.2-45.5177.6179.2-107.2000111.2Q236 E237 T253 V255 T291 P292 K297 M298 N299Q236-W295 HydrophobicContact CB-CD2 4.49Å; Q236-W295 HydrophobicContact CB-CH2 3.97Å; Q236-W295 HydrophobicContact CB-CZ2 3.67Å; Q236-W295 HydrophobicContact CB-CZ3 4.49Å; Q236-W295 HydrophobicContact CG-CD2 4.3Å; Q236-W295 HydrophobicContact CG-CZ2 4.09Å; E237-W295 HydrophobicContact CB-CH2 4.38Å; T253-W295 HydrophobicContact CG2-CE3 3.98Å; T253-W295 HydrophobicContact CG2-CH2 4.48Å; T253-W295 HydrophobicContact CG2-CZ3 3.58Å; V255-W295 HydrophobicContact CG1-CB 4.02Å; V255-W295 HydrophobicContact CG1-CG 4.41Å; V255-W295 HydrophobicContact CG2-CB 3.82Å; V255-W295 HydrophobicContact CG2-CD2 3.77Å; V255-W295 HydrophobicContact CG2-CE3 3.93Å; V255-W295 HydrophobicContact CG2-CG 3.73Å; T291-W295 PolarHBondContact O-N 2.87Å; P292-W295 WeakPolarHBondContact O-CB 3.43Å; P292-W295 PolarHBondContact O-N 3.19Å; P292-W295 VanDerWaalsContact O-N 3.14Å; W295-K297 VanDerWaalsContact C-N 3.33Å; W295-K297 PolarHBondContact O-N 3.33Å; W295-M298 PolarHBondContact O-N 3.11Å; W295-M298 VanDerWaalsContact O-N 3.17Å; W295-N299 WeakPolarHBondContact O-CB 3.34Å; W295-N299 PolarHBondContact O-N 2.78Å
296E80.3Confident73.3Confident131 Ų13180.8 Ų80.861%0.61245%0.446SS*.Hα-helixtrans-60-42.5176.4-72.4-178.1116.600111.9P292 M298 N299 A300P292-E296 WeakPolarHBondContact O-CG 3.49Å; P292-E296 PolarHBondContact O-N 3.17Å; E296-M298 PolarHBondContact O-N 3.23Å; E296-N299 PolarHBondContact O-N 2.9Å; E296-A300 WeakPolarHBondContact O-CB 3.4Å; E296-A300 PolarHBondContact O-N 2.95Å
297K81.7Confident73Confident161 Ų16181.8 Ų81.870%0.745%0.447SS*.Hα-helixtrans-63.2-40.8175.1-72.7175.8-177.5179.30112.5E293 Q294 W295 A301E293-K297 WeakPolarHBondContact O-CG 3.48Å; E293-K297 PolarHBondContact O-N 2.75Å; Q294-K297 PolarHBondContact O-N 3.28Å; W295-K297 VanDerWaalsContact C-N 3.33Å; W295-K297 PolarHBondContact O-N 3.33Å; K297-A301 WeakPolarHBondContact O-CB 3.29Å; K297-A301 PolarHBondContact O-N 2.79Å
298M72.7Confident72.6Confident94 Ų9485.3 Ų85.346%0.46347%0.467SS..Hα-helixtrans-68-42.8176.4-78.1-17658.700112K290 Q294 W295 E296 A301 A302K290-M298 HydrophobicContact CD-SD 4.08Å; K290-M298 VanDerWaalsContact CE-SD 3.59Å; Q294-M298 PolarHBondContact O-N 2.81Å; W295-M298 PolarHBondContact O-N 3.11Å; W295-M298 VanDerWaalsContact O-N 3.17Å; E296-M298 PolarHBondContact O-N 3.23Å; M298-A301 PolarHBondContact O-N 3.14Å; M298-A302 PolarHBondContact O-N 3.33Å
299N70.7Confident72.1Confident83 Ų8387.4 Ų87.444%0.44448%0.479SS..Hα-helixtrans-71.1-38.9-179.1-163.138.3000111.5W295 E296 A301 A302 V303W295-N299 WeakPolarHBondContact O-CB 3.34Å; W295-N299 PolarHBondContact O-N 2.78Å; E296-N299 PolarHBondContact O-N 2.9Å; N299-A301 VanDerWaalsContact C-N 3.27Å; N299-A301 PolarHBondContact O-N 3.09Å; N299-A302 PolarHBondContact O-N 3Å; N299-A302 VanDerWaalsContact O-N 3.13Å; N299-V303 WeakPolarHBondContact O-CG2 3.39Å; N299-V303 PolarHBondContact O-N 3.11Å; N299-V303 VanDerWaalsContact O-N 3.08Å
300A74Confident71.5Confident53 Ų5391.4 Ų91.444%0.43850%0.499SS..Hα-helixtrans-61.9-35.517300000112.1E296E296-A300 WeakPolarHBondContact O-CB 3.4Å; E296-A300 PolarHBondContact O-N 2.95Å
301A67.8Low70.9Confident62 Ų6293.8 Ų93.851%0.51252%0.516SS..Hα-helixtrans-70.3-34.8173.500000112.5K297 M298 N299K297-A301 WeakPolarHBondContact O-CB 3.29Å; K297-A301 PolarHBondContact O-N 2.79Å; M298-A301 PolarHBondContact O-N 3.14Å; N299-A301 VanDerWaalsContact C-N 3.27Å; N299-A301 PolarHBondContact O-N 3.09Å
302A60.6Low70Confident64 Ų6499 Ų9953%0.52954%0.544SS..Hα-helixtrans-72.9-29.6179.700000113.8M298 N299 Q304M298-A302 PolarHBondContact O-N 3.33Å; N299-A302 PolarHBondContact O-N 3Å; N299-A302 VanDerWaalsContact O-N 3.13Å; A302-Q304 VanDerWaalsContact C-N 3.27Å; A302-Q304 PolarHBondContact O-N 3.4Å
303V57.7Low69.3Low113 Ų113103.5 Ų103.569%0.68557%0.565SS**THydrogen-bonded Turntrans-77.3-11.7179.7175.80000112.8N299N299-V303 WeakPolarHBondContact O-CG2 3.39Å; N299-V303 PolarHBondContact O-N 3.11Å; N299-V303 VanDerWaalsContact O-N 3.08Å
304Q48.6Very low68.4Low170 Ų170103.9 Ų103.979%0.79457%0.574SS**THydrogen-bonded Turntrans-100.19.2-177.2-66.9-176.513.700114.5A302A302-Q304 VanDerWaalsContact C-N 3.27Å; A302-Q304 PolarHBondContact O-N 3.4Å
305T42.1Very low67.1Low184 Ų184104.9 Ų104.9100%1.12959%0.587SS**  trans-119.50174.7-49.40000110.4

Retrieved 305 of 305 residues in 415 ms (Link to these results)