A0A060D2T5_MAIZE Loading...

NAC domain containing protein 74

AlphaFold DB , UniProt , Accession A0A060D2T5, Species MAIZE (Zea mays, Maize), Gene NAC100, Length 154 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
1M35.6Very low63.4Low217 Ų217106.7 Ų106.7100%1.06960%0.603SS**  0112.30-66.8-152.9-8700107.9A3M1-A3 PolarHBondContact O-N 3.1Å
2V40.3Very low65.6Low143 Ų143101.3 Ų101.387%0.86757%0.568SS**  trans-79.4107.5178.5-174.60000105.7D4V2-D4 PolarHBondContact O-N 3.37Å
3A54.1Low67.6Low38 Ų38101 Ų10131%0.31455%0.553SS.*  trans-61.4126.517600000108.8M1 V5 F16M1-A3 PolarHBondContact O-N 3.1Å; A3-V5 PolarHBondContact O-N 3.34Å; A3-V5 VanDerWaalsContact O-N 3.12Å; A3-F16 WeakPolarHBondContact CB-O 3.45Å
4D63.5Low69.5Low154 Ų15497.5 Ų97.582%0.82453%0.528SS*.  trans-54.7117.4177.3-87.4-38.2000109.8V2V2-D4 PolarHBondContact O-N 3.37Å
5V64.9Low71Confident85 Ų8594.3 Ų94.352%0.51551%0.508SS..  trans-89.2112.6177.7178.40000107.6A3 W13 F15A3-V5 PolarHBondContact O-N 3.34Å; A3-V5 VanDerWaalsContact O-N 3.12Å; V5-W13 HydrophobicContact CG1-CD2 4.48Å; V5-W13 HydrophobicContact CG1-CE3 3.49Å; V5-W13 VanDerWaalsContact CG1-CE3 3.49Å; V5-W13 HydrophobicContact CG1-CZ3 4.02Å; V5-F15 HydrophobicContact CG2-CB 4.43Å
6A71.1Confident72.2Confident47 Ų4796.1 Ų96.139%0.38851%0.509SS..EExtended strand (participates in β ladder)trans-91.4118173.100000109.9L8 Y14A6-L8 HydrophobicContact CB-CG 4.47Å; A6-L8 PolarHBondContact O-N 3.23Å; A6-Y14 PolarHBondContact N-O 3.14Å; A6-Y14 PolarHBondContact O-N 3.44Å
7K68.8Low73.1Confident119 Ų11992.1 Ų92.152%0.51749%0.491SS..EExtended strand (participates in β ladder)trans-89.595.4169.6-169.3-178.3-174177.40109.1S9 W13K7-S9 WeakPolarHBondContact CE-O 3.42Å; K7-S9 VanDerWaalsContact CG-O 3.29Å; K7-S9 WeakPolarHBondContact CG-O 3.27Å; K7-W13 HydrophobicContact CB-CE3 3.8Å; K7-W13 HydrophobicContact CB-CH2 4.33Å; K7-W13 HydrophobicContact CB-CZ3 3.66Å; K7-W13 HydrophobicContact CD-CE3 4.43Å; K7-W13 HydrophobicContact CD-CH2 3.63Å; K7-W13 HydrophobicContact CD-CZ2 3.98Å; K7-W13 HydrophobicContact CD-CZ3 3.86Å; K7-W13 HydrophobicContact CG-CD2 4.36Å; K7-W13 HydrophobicContact CG-CE3 3.98Å; K7-W13 HydrophobicContact CG-CH2 4.09Å; K7-W13 HydrophobicContact CG-CZ2 4.38Å; K7-W13 HydrophobicContact CG-CZ3 3.86Å
8L67.6Low73.7Confident131 Ų13192.2 Ų92.269%0.68649%0.487SS*.EExtended strand (participates in β ladder)trans-86.6-18.2-178.9-66.4176.2000113.3A6 Y14A6-L8 HydrophobicContact CB-CG 4.47Å; A6-L8 PolarHBondContact O-N 3.23Å; L8-Y14 HydrophobicContact CB-CD2 4.09Å; L8-Y14 HydrophobicContact CB-CE2 4.1Å; L8-Y14 HydrophobicContact CD1-CD2 3.63Å; L8-Y14 HydrophobicContact CD1-CE2 3.86Å; L8-Y14 HydrophobicContact CD1-CG 4.07Å; L8-Y14 HydrophobicContact CG-CD2 4.05Å; L8-Y14 HydrophobicContact CG-CE2 4.41Å
9S72.3Confident74Confident48 Ų4889.6 Ų89.634%0.33647%0.47SS..EExtended strand (participates in β ladder)trans-149.3170.4171.972.90000111.2K7 N11 E12K7-S9 WeakPolarHBondContact CE-O 3.42Å; K7-S9 VanDerWaalsContact CG-O 3.29Å; K7-S9 WeakPolarHBondContact CG-O 3.27Å; S9-N11 PolarHBondContact O-N 3.1Å; S9-N11 VanDerWaalsContact O-N 3.15Å; S9-E12 WeakPolarHBondContact OG-CB 3.28Å; S9-E12 WeakPolarHBondContact OG-CG 3.49Å; S9-E12 PolarHBondContact OG-N 3.48Å
10T75.7Confident74.2Confident109 Ų10989.5 Ų89.567%0.66947%0.469SS*.THydrogen-bonded Turntrans-59.6-27.6-17747.10000113.7
11N83.5Confident74.1Confident83 Ų8390.8 Ų90.844%0.44447%0.468SS..THydrogen-bonded Turntrans-1214.7-170.5-59.4-45000114.3S9 F110S9-N11 PolarHBondContact O-N 3.1Å; S9-N11 VanDerWaalsContact O-N 3.15Å; N11-F110 WeakPolarHBondContact O-CA 3.09Å; N11-F110 WeakPolarHBondContact O-CB 3.31Å
12E89.9Confident75.9Confident41 Ų4184.4 Ų84.419%0.19243%0.434CS..EExtended strand (participates in β ladder)trans-136.7138.1-174.8-46.7-170158.700111.9S9 Y14 R108 V109 F110S9-E12 WeakPolarHBondContact OG-CB 3.28Å; S9-E12 WeakPolarHBondContact OG-CG 3.49Å; S9-E12 PolarHBondContact OG-N 3.48Å; E12-Y14 HydrophobicContact CB-CE2 4.3Å; E12-Y14 PolarHBondContact OE2-OH 3.14Å; E12-R108 IonicContact OE1-CZ 3.08Å; E12-R108 IonicContact OE1-NE 2.82Å; E12-R108 IonicContact OE1-NH2 2.7Å; E12-R108 PolarHBondContact OE1-NH2 3.44Å; E12-R108 IonicContact OE2-CZ 3.68Å; E12-R108 IonicContact OE2-NE 2.61Å; E12-R108 PolarHBondContact OE2-NE 3.04Å; E12-R108 IonicContact OE2-NH2 3.47Å; E12-R108 PolarHBondContact OE2-NH2 2.98Å; E12-V109 WeakPolarHBondContact CA-O 3.26Å; E12-F110 HydrophobicContact CB-CB 4.27Å; E12-F110 HydrophobicContact CG-CB 3.79Å
13W91.4Very high77.5Confident98 Ų9884 Ų8437%0.37142%0.418SS..EExtended strand (participates in β ladder)trans-124.4138.7-176.1-58.287.6000109.6V5 K7 R108 V109V5-W13 HydrophobicContact CG1-CD2 4.48Å; V5-W13 HydrophobicContact CG1-CE3 3.49Å; V5-W13 VanDerWaalsContact CG1-CE3 3.49Å; V5-W13 HydrophobicContact CG1-CZ3 4.02Å; K7-W13 HydrophobicContact CB-CE3 3.8Å; K7-W13 HydrophobicContact CB-CH2 4.33Å; K7-W13 HydrophobicContact CB-CZ3 3.66Å; K7-W13 HydrophobicContact CD-CE3 4.43Å; K7-W13 HydrophobicContact CD-CH2 3.63Å; K7-W13 HydrophobicContact CD-CZ2 3.98Å; K7-W13 HydrophobicContact CD-CZ3 3.86Å; K7-W13 HydrophobicContact CG-CD2 4.36Å; K7-W13 HydrophobicContact CG-CE3 3.98Å; K7-W13 HydrophobicContact CG-CH2 4.09Å; K7-W13 HydrophobicContact CG-CZ2 4.38Å; K7-W13 HydrophobicContact CG-CZ3 3.86Å; W13-R108 CarbonylContact O-C 3.55Å; W13-R108 VanDerWaalsContact O-CA 3.29Å; W13-R108 WeakPolarHBondContact O-CA 3.25Å; W13-V109 PolarHBondContact N-O 3.33Å; W13-V109 PolarHBondContact O-N 2.74Å
14Y93.8Very high78Confident52 Ų5286.4 Ų86.420%0.20444%0.438CS..EExtended strand (participates in β ladder)trans-119.7137.9175.6-66-102.7000109.6A6 L8 E12 L106 C107 R108A6-Y14 PolarHBondContact N-O 3.14Å; A6-Y14 PolarHBondContact O-N 3.44Å; L8-Y14 HydrophobicContact CB-CD2 4.09Å; L8-Y14 HydrophobicContact CB-CE2 4.1Å; L8-Y14 HydrophobicContact CD1-CD2 3.63Å; L8-Y14 HydrophobicContact CD1-CE2 3.86Å; L8-Y14 HydrophobicContact CD1-CG 4.07Å; L8-Y14 HydrophobicContact CG-CD2 4.05Å; L8-Y14 HydrophobicContact CG-CE2 4.41Å; E12-Y14 HydrophobicContact CB-CE2 4.3Å; E12-Y14 PolarHBondContact OE2-OH 3.14Å; Y14-L106 HydrophobicContact CD1-CD1 4.45Å; Y14-C107 VanDerWaalsContact CA-O 3.26Å; Y14-C107 WeakPolarHBondContact CA-O 3.25Å; Y14-R108 HydrophobicContact CD1-CB 3.88Å; Y14-R108 HydrophobicContact CD1-CG 4.19Å; Y14-R108 HydrophobicContact CE1-CB 3.62Å; Y14-R108 HydrophobicContact CE1-CG 3.62Å; Y14-R108 HydrophobicContact CE2-CG 4.08Å; Y14-R108 WeakPolarHBondContact OH-CD 3.43Å; Y14-R108 PolarHBondContact OH-NE 3.41Å; Y14-R108 VanDerWaalsContact OH-NE 3.15Å
15F92Very high78.3Confident50 Ų5085.8 Ų85.822%0.21944%0.44CS..EExtended strand (participates in β ladder)trans-152.7151.7174.760.2-90.9000111.1V5 M88 C107 V109V5-F15 HydrophobicContact CG2-CB 4.43Å; F15-M88 HydrophobicContact CE1-CE 4.48Å; F15-M88 HydrophobicContact CZ-CE 3.8Å; F15-C107 HydrophobicContact CD1-CB 4.1Å; F15-C107 HydrophobicContact CD2-CB 3.8Å; F15-C107 HydrophobicContact CE1-CB 3.74Å; F15-C107 HydrophobicContact CE2-CB 3.39Å; F15-C107 HydrophobicContact CG-CB 4.14Å; F15-C107 HydrophobicContact CZ-CB 3.36Å; F15-C107 PolarHBondContact N-O 3.38Å; F15-C107 PolarHBondContact O-N 3.43Å; F15-V109 HydrophobicContact CE1-CB 4.4Å; F15-V109 HydrophobicContact CE1-CG2 3.52Å; F15-V109 HydrophobicContact CZ-CG2 4.06Å
16F90.8Very high78.5Confident122 Ų12282.6 Ų82.654%0.53542%0.424SS..EExtended strand (participates in β ladder)trans-87.2142.1168.1-68.2-78.2000110.4A3 W104 V105 L106A3-F16 WeakPolarHBondContact CB-O 3.45Å; F16-W104 HydrophobicContact CB-CE3 3.93Å; F16-W104 HydrophobicContact CB-CZ3 4.11Å; F16-V105 WeakPolarHBondContact CA-O 3.37Å; F16-L106 HydrophobicContact CD1-CB 4.2Å; F16-L106 HydrophobicContact CD1-CD1 4.25Å; F16-L106 HydrophobicContact CE1-CB 3.95Å; F16-L106 HydrophobicContact CE1-CD1 3.97Å; F16-L106 HydrophobicContact CE1-CG 4.46Å; F16-L106 HydrophobicContact CE2-CD1 4.45Å; F16-L106 HydrophobicContact CZ-CD1 4.07Å
17S87.8Confident78.5Confident29 Ų2987.1 Ų87.120%0.20344%0.441CS..EExtended strand (participates in β ladder)trans-140.9140.2176.8-178.90000109.5V105S17-V105 PolarHBondContact N-O 2.99Å; S17-V105 WeakPolarHBondContact O-CG2 2.95Å; S17-V105 PolarHBondContact O-N 3.38Å
18F84.3Confident78.9Confident93 Ų9389.3 Ų89.341%0.40845%0.446SS..EExtended strand (participates in β ladder)trans-65.9143.3166.6-80.5-74.9000110.5D20 E102 W104F18-D20 PolarHBondContact O-N 3.1Å; F18-E102 HydrophobicContact CE1-CB 4.23Å; F18-W104 HydrophobicContact CD1-CD2 4.06Å; F18-W104 HydrophobicContact CD1-CE3 4.42Å; F18-W104 HydrophobicContact CD1-CG 4.45Å; F18-W104 HydrophobicContact CD1-CZ2 4.44Å; F18-W104 HydrophobicContact CD2-CD2 4.41Å; F18-W104 HydrophobicContact CD2-CE3 4.14Å; F18-W104 AromaticContact CD2-CH2 3.6Å; F18-W104 HydrophobicContact CD2-CH2 3.6Å; F18-W104 AromaticContact CD2-CZ2 3.88Å; F18-W104 HydrophobicContact CD2-CZ2 3.88Å; F18-W104 AromaticContact CD2-CZ3 3.73Å; F18-W104 HydrophobicContact CD2-CZ3 3.73Å; F18-W104 AromaticContact CE1-CD2 3.91Å; F18-W104 HydrophobicContact CE1-CD2 3.91Å; F18-W104 AromaticContact CE1-CE2 3.41Å; F18-W104 VanDerWaalsContact CE1-CE2 3.41Å; F18-W104 HydrophobicContact CE1-CG 4.32Å; F18-W104 HydrophobicContact CE1-CH2 4.43Å; F18-W104 AromaticContact CE1-CZ2 3.75Å; F18-W104 HydrophobicContact CE1-CZ2 3.75Å; F18-W104 AromaticContact CE1-NE1 3.44Å; F18-W104 HydrophobicContact CE2-CD2 4.28Å; F18-W104 AromaticContact CE2-CE2 3.66Å; F18-W104 HydrophobicContact CE2-CE3 4.3Å; F18-W104 AromaticContact CE2-CH2 3.14Å; F18-W104 HydrophobicContact CE2-CH2 3.14Å; F18-W104 AromaticContact CE2-CZ2 3.08Å; F18-W104 HydrophobicContact CE2-CZ2 3.08Å; F18-W104 AromaticContact CE2-CZ3 3.78Å; F18-W104 HydrophobicContact CE2-CZ3 3.78Å; F18-W104 HydrophobicContact CG-CD2 4.32Å; F18-W104 HydrophobicContact CG-CE3 4.22Å; F18-W104 HydrophobicContact CG-CH2 4.42Å; F18-W104 HydrophobicContact CG-CZ3 4.27Å; F18-W104 HydrophobicContact CZ-CD2 4.04Å; F18-W104 AromaticContact CZ-CE2 3.21Å; F18-W104 AromaticContact CZ-CH2 3.65Å; F18-W104 HydrophobicContact CZ-CH2 3.65Å; F18-W104 AromaticContact CZ-CZ2 3.01Å; F18-W104 HydrophobicContact CZ-CZ2 3.01Å; F18-W104 HydrophobicContact CZ-CZ3 4.35Å; F18-W104 AromaticContact CZ-NE1 3.56Å
19R79.1Confident79.6Confident44 Ų4483.8 Ų83.817%0.16642%0.418CS..  trans-7294.9170.3-67.1-177.965.4179.1-2.8109.8R21 L27 T29 D103 V105R19-R21 PolarHBondContact O-N 3.03Å; R19-R21 VanDerWaalsContact O-N 3.07Å; R19-L27 PolarHBondContact NH2-O 3.35Å; R19-T29 HydrophobicContact CB-CG2 4.23Å; R19-T29 HydrophobicContact CG-CG2 4.42Å; R19-D103 HydrophobicContact CB-CB 4.05Å; R19-D103 HydrophobicContact CG-CB 4.27Å; R19-D103 WeakPolarHBondContact CG-O 3.08Å; R19-D103 PolarHBondContact N-O 2.9Å; R19-V105 HydrophobicContact CG-CB 4.46Å; R19-V105 HydrophobicContact CG-CG1 3.47Å; R19-V105 VanDerWaalsContact CG-CG1 3.47Å; R19-V105 HydrophobicContact CG-CG2 4.23Å
20D76.7Confident80Confident86 Ų8684.8 Ų84.846%0.4642%0.42SS..  trans-70.698.2165.5-176.714.4000109F18 K22 T29 N30F18-D20 PolarHBondContact O-N 3.1Å; D20-K22 PolarHBondContact O-N 3.35Å; D20-T29 CarbonylContact O-C 3.5Å; D20-T29 WeakPolarHBondContact O-CA 3.25Å; D20-N30 HydrophobicContact CB-CB 4.47Å; D20-N30 PolarHBondContact O-N 2.85Å; D20-N30 WeakPolarHBondContact OD2-CB 3.09Å; D20-N30 PolarHBondContact OD2-ND2 2.88Å
21R73.1Confident80.7Confident117 Ų11781.2 Ų81.244%0.44239%0.394SS..BIsolated β-bridgetrans-72.3124.1178.5-60.8-176.5-175.5-176.60.8108.6R19 Y23 D103R19-R21 PolarHBondContact O-N 3.03Å; R19-R21 VanDerWaalsContact O-N 3.07Å; R21-Y23 WeakPolarHBondContact CB-O 3.39Å; R21-Y23 PolarHBondContact O-N 2.82Å; R21-Y23 VanDerWaalsContact O-N 3.14Å; R21-D103 IonicContact CZ-OD2 3.73Å; R21-D103 IonicContact NE-OD2 2.69Å; R21-D103 IonicContact NH2-OD2 3.26Å; R21-D103 PolarHBondContact NH2-OD2 2.87Å
22K72.5Confident81.1Confident84 Ų8480.3 Ų80.337%0.36540%0.398SS..SBendtrans-57.2-31.9177.4-170.6-175.4-178.3-154.80111.9D20 R28D20-K22 PolarHBondContact O-N 3.35Å; K22-R28 HydrophobicContact CB-CB 4.47Å; K22-R28 HydrophobicContact CB-CG 4.38Å; K22-R28 WeakPolarHBondContact CB-O 3.46Å; K22-R28 HydrophobicContact CD-CG 4.36Å; K22-R28 PolarHBondContact N-O 3.3Å
23Y74.2Confident81.2Confident133 Ų13380.7 Ų80.752%0.52240%0.403SS..SBendtrans-138.8147.1177.3-53.1-66.8000108.8R21 T25 G26R21-Y23 WeakPolarHBondContact CB-O 3.39Å; R21-Y23 PolarHBondContact O-N 2.82Å; R21-Y23 VanDerWaalsContact O-N 3.14Å; Y23-T25 PolarHBondContact O-N 3.46Å; Y23-T25 VanDerWaalsContact O-N 3.15Å; Y23-G26 PolarHBondContact O-N 2.89Å
24A64.5Low81.3Confident89 Ų8985.6 Ų85.674%0.73643%0.427SS*.THydrogen-bonded Turntrans-53.8-38.1-176.900000113.5
25T70.4Confident81.3Confident141 Ų14186.7 Ų86.787%0.86544%0.442SS*.THydrogen-bonded Turntrans-95.7-2.2-178.854.30000113.7Y23Y23-T25 PolarHBondContact O-N 3.46Å; Y23-T25 VanDerWaalsContact O-N 3.15Å
26G68.7Low81.5Confident18 Ų1884.3 Ų84.319%0.18643%0.432CS..  trans-93.9146-170.600000113.9Y23 R28Y23-G26 PolarHBondContact O-N 2.89Å; G26-R28 VanDerWaalsContact C-N 3.27Å
27L71.6Confident81.7Confident142 Ų14280.2 Ų80.274%0.74341%0.413SS*.SBendtrans-79.4-11.7168.6-68.2170.8000113.1R19R19-L27 PolarHBondContact NH2-O 3.35Å
28R77Confident82Confident166 Ų16681 Ų8163%0.62641%0.411SS*.PPolyproline II helixtrans-77.1124.7-176.6-175.5173177.7171.81.9110.3K22 G26K22-R28 HydrophobicContact CB-CB 4.47Å; K22-R28 HydrophobicContact CB-CG 4.38Å; K22-R28 WeakPolarHBondContact CB-O 3.46Å; K22-R28 HydrophobicContact CD-CG 4.36Å; K22-R28 PolarHBondContact N-O 3.3Å; G26-R28 VanDerWaalsContact C-N 3.27Å
29T81.4Confident82.5Confident14 Ų1481.9 Ų81.99%0.08642%0.415CS..BIsolated β-bridgetrans-85.4143.5174.346.80000111.4R19 D20R19-T29 HydrophobicContact CB-CG2 4.23Å; R19-T29 HydrophobicContact CG-CG2 4.42Å; D20-T29 CarbonylContact O-C 3.5Å; D20-T29 WeakPolarHBondContact O-CA 3.25Å
30N82.4Confident83.2Confident70 Ų7082.6 Ų82.637%0.37443%0.431SS..PPolyproline II helixtrans-77.3121.2168.5-178.912.9000108.9D20 A32D20-N30 HydrophobicContact CB-CB 4.47Å; D20-N30 PolarHBondContact O-N 2.85Å; D20-N30 WeakPolarHBondContact OD2-CB 3.09Å; D20-N30 PolarHBondContact OD2-ND2 2.88Å; N30-A32 PolarHBondContact OD1-N 2.95Å
31R90Very high84Confident34 Ų3481.8 Ų81.813%0.12843%0.429CS..  trans-135.132.9-179.2-58.9-69.8-176.1-143.59.2110.9W38 L71 E90R31-W38 HydrophobicContact CB-CB 3.66Å; R31-W38 HydrophobicContact CB-CG 4.13Å; R31-W38 HydrophobicContact CG-CB 4.47Å; R31-W38 VanDerWaalsContact O-CD1 3.31Å; R31-W38 PolarHBondContact O-N 2.88Å; R31-L71 HydrophobicContact CB-CD2 4.48Å; R31-L71 HydrophobicContact CG-CD2 4.01Å; R31-E90 IonicContact CZ-OE2 3.53Å; R31-E90 VanDerWaalsContact CZ-OE2 3.26Å; R31-E90 IonicContact NE-OE2 3.51Å; R31-E90 PolarHBondContact NE-OE2 2.89Å; R31-E90 IonicContact NH2-OE1 2.74Å; R31-E90 IonicContact NH2-OE2 3.87Å; R31-E90 PolarHBondContact NH2-OE2 3.33Å
32A92Very high85Confident64 Ų6479.7 Ų79.753%0.52944%0.443SS..BIsolated β-bridgetrans-75.2140.216800000110N30N30-A32 PolarHBondContact OD1-N 2.95Å
33T92Very high86Confident48 Ų4884.7 Ų84.729%0.29447%0.465SS..  trans-120.2172.9173.373.90000109.9S35 G36 F73 R77T33-S35 PolarHBondContact O-N 2.85Å; T33-G36 PolarHBondContact N-O 3.08Å; T33-G36 VanDerWaalsContact O-O 3.07Å; T33-G36 PolarHBondContact OG1-N 2.89Å; T33-G36 VanDerWaalsContact OG1-N 3.08Å; T33-G36 PolarHBondContact OG1-O 2.86Å; T33-F73 HydrophobicContact CG2-CE2 4.27Å; T33-R77 PolarHBondContact O-NH1 2.83Å
34K92.2Very high87Confident202 Ų20280.1 Ų80.188%0.87845%0.45SS*.SBendtrans-58.6-37.6176.2-173.6176.9179.3179.50112R77K34-R77 PolarHBondContact O-NH2 2.77Å
35S94.6Very high88.4Confident74 Ų7483.4 Ų83.452%0.51744%0.443SS..SBendtrans-102.8-7.4-172.756.80000114.6T33 G76T33-S35 PolarHBondContact O-N 2.85Å; S35-G76 PolarHBondContact O-N 3.19Å
36G95.9Very high89.5Confident0 Ų080.1 Ų80.10%042%0.423CS..EExtended strand (participates in β ladder)trans-177.3-160-170.600000113.8T33 Y74 G76T33-G36 PolarHBondContact N-O 3.08Å; T33-G36 VanDerWaalsContact O-O 3.07Å; T33-G36 PolarHBondContact OG1-N 2.89Å; T33-G36 VanDerWaalsContact OG1-N 3.08Å; T33-G36 PolarHBondContact OG1-O 2.86Å; G36-Y74 CarbonylContact C-O 3.5Å; G36-Y74 WeakPolarHBondContact CA-O 3.49Å; G36-G76 WeakPolarHBondContact CA-O 3.29Å
37Y95.1Very high90.6Very high37 Ų3781.7 Ų81.715%0.14543%0.426CS..EExtended strand (participates in β ladder)trans-152.7151.217662.2-83.8000110.9K39 Y74 T78Y37-K39 HydrophobicContact CD2-CB 4.47Å; Y37-K39 HydrophobicContact CE2-CB 4.25Å; Y37-Y74 HydrophobicContact CE1-CG 4.43Å; Y37-Y74 HydrophobicContact CE2-CD2 4.17Å; Y37-Y74 AromaticContact CE2-CG 3.95Å; Y37-Y74 HydrophobicContact CE2-CG 3.95Å; Y37-Y74 VanDerWaalsContact CZ-CB 3.42Å; Y37-Y74 AromaticContact CZ-CG 3.79Å; Y37-Y74 PolarHBondContact N-O 2.98Å; Y37-Y74 PolarHBondContact O-N 2.69Å; Y37-T78 HydrophobicContact CD1-CG2 3.78Å; Y37-T78 HydrophobicContact CD2-CG2 4.03Å; Y37-T78 HydrophobicContact CE1-CG2 3.52Å; Y37-T78 HydrophobicContact CE2-CG2 3.78Å; Y37-T78 HydrophobicContact CG-CG2 4.03Å
38W95.1Very high91.5Very high44 Ų4479.5 Ų79.517%0.16741%0.412CS..EExtended strand (participates in β ladder)trans-92.8130.5171.5-59.988.9000110.5R31 L71 F73 W86 M88 V109R31-W38 HydrophobicContact CB-CB 3.66Å; R31-W38 HydrophobicContact CB-CG 4.13Å; R31-W38 HydrophobicContact CG-CB 4.47Å; R31-W38 VanDerWaalsContact O-CD1 3.31Å; R31-W38 PolarHBondContact O-N 2.88Å; W38-L71 HydrophobicContact CB-CB 4.11Å; W38-L71 HydrophobicContact CB-CD2 3.7Å; W38-L71 HydrophobicContact CE3-CB 4.09Å; W38-F73 HydrophobicContact CD2-CB 4.09Å; W38-F73 AromaticContact CD2-CD2 3.92Å; W38-F73 HydrophobicContact CD2-CD2 3.92Å; W38-F73 HydrophobicContact CD2-CG 4.49Å; W38-F73 AromaticContact CE2-CD2 3.68Å; W38-F73 HydrophobicContact CE3-CB 3.75Å; W38-F73 HydrophobicContact CE3-CD2 4.45Å; W38-F73 HydrophobicContact CG-CD2 4.22Å; W38-F73 HydrophobicContact CH2-CB 3.83Å; W38-F73 HydrophobicContact CH2-CG 4.45Å; W38-F73 HydrophobicContact CZ2-CB 4.15Å; W38-F73 HydrophobicContact CZ2-CD2 4.04Å; W38-F73 HydrophobicContact CZ2-CG 4.32Å; W38-F73 HydrophobicContact CZ3-CB 3.62Å; W38-F73 AromaticContact NE1-CD2 3.86Å; W38-W86 HydrophobicContact CH2-CB 4.15Å; W38-W86 HydrophobicContact CZ3-CB 4.43Å; W38-M88 HydrophobicContact CD2-CB 4.45Å; W38-M88 HydrophobicContact CD2-CE 3.98Å; W38-M88 HydrophobicContact CE3-CB 3.76Å; W38-M88 HydrophobicContact CE3-CE 4.37Å; W38-M88 HydrophobicContact CH2-CB 4.02Å; W38-M88 HydrophobicContact CH2-CE 4.08Å; W38-M88 HydrophobicContact CZ2-CE 3.66Å; W38-M88 HydrophobicContact CZ3-CB 3.52Å; W38-M88 HydrophobicContact CZ3-CE 4.41Å; W38-V109 HydrophobicContact CH2-CG1 4Å; W38-V109 HydrophobicContact CH2-CG2 4.45Å
39K93.8Very high91.8Very high112 Ų11273.7 Ų73.749%0.48740%0.395SS..EExtended strand (participates in β ladder)trans-111.7127.5177-171.8179.5178.9-179.50109.3Y37 L71 V72 Y74Y37-K39 HydrophobicContact CD2-CB 4.47Å; Y37-K39 HydrophobicContact CE2-CB 4.25Å; K39-L71 CarbonylContact O-C 3.53Å; K39-L71 VanDerWaalsContact O-CA 3.25Å; K39-L71 WeakPolarHBondContact O-CA 3.41Å; K39-V72 PolarHBondContact N-O 2.8Å; K39-V72 PolarHBondContact O-N 3.44Å; K39-Y74 HydrophobicContact CB-CD2 3.84Å; K39-Y74 HydrophobicContact CB-CE2 3.7Å; K39-Y74 HydrophobicContact CD-CE2 3.87Å; K39-Y74 HydrophobicContact CG-CE2 4.38Å
40A94.1Very high91.6Very high60 Ų6078.4 Ų78.450%0.49643%0.426SS..EExtended strand (participates in β ladder)trans-60.4142.1172.400000110.4T70A40-T70 WeakPolarHBondContact CA-O 3.48Å
41T94.5Very high90.9Very high69 Ų6978.6 Ų78.642%0.42343%0.432SS..  trans-136.4138.1178.9-172.20000110.5T70 V72T41-T70 HydrophobicContact CG2-CG2 3.61Å; T41-T70 PolarHBondContact N-O 3.02Å; T41-V72 HydrophobicContact CG2-CG2 3.71Å
42G93.3Very high89.8Confident72 Ų7280.5 Ų80.574%0.74245%0.451SS*.SBendtrans66.3-176-178.100000114
43K93.8Very high87.9Confident189 Ų18987 Ų8782%0.82246%0.462SS*.PPolyproline II helixtrans-82.9142175-172.7178177.4178.50110.4
44D93.9Very high86.6Confident37 Ų3789.3 Ų89.320%0.19848%0.477CS..PPolyproline II helixtrans-57.6138172.1-70.11.9000109.8M67 R68 K69 R92D44-M67 HydrophobicContact CB-CE 3.71Å; D44-R68 WeakPolarHBondContact CA-O 3.45Å; D44-K69 WeakPolarHBondContact OD1-CG 3.36Å; D44-K69 IonicContact OD1-NZ 2.69Å; D44-K69 PolarHBondContact OD1-NZ 3.44Å; D44-K69 IonicContact OD2-NZ 2.77Å; D44-K69 PolarHBondContact OD2-NZ 3.32Å; D44-R92 IonicContact OD2-CZ 2.98Å; D44-R92 IonicContact OD2-NH1 3.69Å; D44-R92 PolarHBondContact OD2-NH1 2.92Å; D44-R92 IonicContact OD2-NH2 3.53Å
45R94.8Very high85.2Confident159 Ų15981.5 Ų81.560%0.645%0.451SS*.EExtended strand (participates in β ladder)trans-100.3136.8179.5-62-164.7-176-176-5.8111.1M67 R68R45-M67 CarbonylContact O-C 3.54Å; R45-M67 WeakPolarHBondContact O-CA 3.17Å; R45-R68 PolarHBondContact N-O 2.75Å; R45-R68 PolarHBondContact O-N 2.99Å
46V93.5Very high83.6Confident72 Ų7280.6 Ų80.644%0.43645%0.447SS..EExtended strand (participates in β ladder)trans-73.2140.6173.9-170.60000110.1H48 V64 M67V46-H48 WeakPolarHBondContact CG1-NE2 3.48Å; V46-V64 HydrophobicContact CG1-CB 4.18Å; V46-V64 HydrophobicContact CG1-CG1 3.58Å; V46-V64 HydrophobicContact CG1-CG2 3.6Å; V46-M67 WeakPolarHBondContact CA-SD 3.49Å; V46-M67 HydrophobicContact CB-SD 3.93Å; V46-M67 HydrophobicContact CG1-SD 4.19Å; V46-M67 HydrophobicContact CG2-CE 4.04Å; V46-M67 HydrophobicContact CG2-SD 3.59Å; V46-M67 VanDerWaalsContact CG2-SD 3.59Å
47I92.1Very high82.2Confident50 Ų5083.3 Ų83.326%0.25647%0.47SS..EExtended strand (participates in β ladder)trans-112.1124.2175.7-51.1169.5000107.4V65 G66 R68 F91I47-V65 HydrophobicContact CB-CG2 3.89Å; I47-V65 HydrophobicContact CG2-CG2 3.53Å; I47-V65 WeakPolarHBondContact O-CG2 3.34Å; I47-V65 PolarHBondContact O-N 3.5Å; I47-G66 PolarHBondContact N-O 3.33Å; I47-G66 PolarHBondContact O-N 2.85Å; I47-R68 HydrophobicContact CD1-CB 4.07Å; I47-R68 HydrophobicContact CG1-CB 4.23Å; I47-F91 HydrophobicContact CD1-CD1 3.51Å; I47-F91 HydrophobicContact CD1-CE1 4.13Å
48H89.4Confident80.9Confident96 Ų9685 Ų8544%0.44449%0.491SS..EExtended strand (participates in β ladder)trans-103.9154.5176.5-63.9-94.9000110.4V46 C62 T63V46-H48 WeakPolarHBondContact CG1-NE2 3.48Å; H48-C62 HydrophobicContact CB-CB 4.12Å; H48-C62 PolarHBondContact ND1-O 2.91Å; H48-T63 CarbonylContact C-O 3.59Å; H48-T63 VanDerWaalsContact CA-O 3.31Å; H48-T63 WeakPolarHBondContact CA-O 3.48Å
49T83.3Confident79.5Confident45 Ų4586 Ų8628%0.27652%0.515SS..PPolyproline II helixtrans-55.7147.7161.841.20000110.3C51 T63 V65T49-C51 PolarHBondContact O-N 2.69Å; T49-C51 VanDerWaalsContact O-N 3.13Å; T49-T63 VanDerWaalsContact CG2-OG1 3.26Å; T49-T63 WeakPolarHBondContact CG2-OG1 3.32Å; T49-T63 PolarHBondContact N-O 2.61Å; T49-T63 PolarHBondContact OG1-N 2.87Å; T49-T63 PolarHBondContact OG1-O 2.82Å; T49-T63 PolarHBondContact OG1-OG1 3.15Å; T49-T63 VanDerWaalsContact OG1-OG1 3.04Å; T49-V65 HydrophobicContact CG2-CG1 3.34Å
50P77.5Confident78.2Confident113 Ų11387 Ų8773%0.73452%0.522SS*.PPolyproline II helixtrans-55.6120.1173.3-24.533.9000111.1S52P50-S52 PolarHBondContact O-N 3.25Å
51C68.8Low76.9Confident74 Ų7491.1 Ų91.150%0.553%0.53SS..  trans-80.843.7175.2-48.80000111.4T49 W53 C62T49-C51 PolarHBondContact O-N 2.69Å; T49-C51 VanDerWaalsContact O-N 3.13Å; C51-W53 PolarHBondContact O-N 2.77Å; C51-C62 HydrophobicContact CB-CB 4.34Å; C51-C62 WeakPolarHBondContact CB-SG 3.38Å; C51-C62 WeakPolarHBondContact SG-CB 3.46Å; C51-C62 CovalentContact SG-SG 2Å; C51-C62 PolarHBondContact SG-SG 2.82Å
52S66.9Low76.1Confident74 Ų7489.9 Ų89.952%0.51752%0.524SS..  trans-73.7128.1-179.154.20000110.1P50 A55P50-S52 PolarHBondContact O-N 3.25Å; S52-A55 WeakPolarHBondContact O-CB 3.47Å; S52-A55 PolarHBondContact O-N 3.18Å
53W51.9Low75.6Confident201 Ų20189.2 Ų89.276%0.76151%0.505SS*.THydrogen-bonded Turntrans-51.9126.2160.4-170.7-95.4000108.4C51 A56 A57C51-W53 PolarHBondContact O-N 2.77Å; W53-A56 HydrophobicContact CE3-CB 4.38Å; W53-A57 HydrophobicContact CD2-CB 4.11Å; W53-A57 HydrophobicContact CE3-CB 3.87Å; W53-A57 HydrophobicContact CH2-CB 3.37Å; W53-A57 HydrophobicContact CZ2-CB 3.62Å; W53-A57 HydrophobicContact CZ3-CB 3.5Å
54P64.1Low75.3Confident96 Ų9683.3 Ų83.362%0.62349%0.485SS*.THydrogen-bonded Turncis-981.625.636.7-35.4000116.3A56 A57 A58P54-A56 VanDerWaalsContact C-N 3.32Å; P54-A56 PolarHBondContact O-N 2.94Å; P54-A57 WeakPolarHBondContact O-CA 3.4Å; P54-A57 VanDerWaalsContact O-CB 3.25Å; P54-A57 WeakPolarHBondContact O-CB 3.26Å; P54-A57 PolarHBondContact O-N 2.93Å; P54-A58 PolarHBondContact O-N 2.9Å; P54-A58 VanDerWaalsContact O-N 3.09Å
55A62.6Low75.1Confident38 Ų3884.3 Ų84.331%0.31449%0.492SS..THydrogen-bonded Turntrans-62.8-39.1-177.700000112.2S52 A57 A58 H60S52-A55 WeakPolarHBondContact O-CB 3.47Å; S52-A55 PolarHBondContact O-N 3.18Å; A55-A57 VanDerWaalsContact C-N 3.27Å; A55-A57 PolarHBondContact O-N 3.33Å; A55-A58 PolarHBondContact O-N 3.28Å; A55-H60 HydrophobicContact CB-CB 4.31Å; A55-H60 VanDerWaalsContact O-CB 3.31Å; A55-H60 WeakPolarHBondContact O-CB 3.44Å; A55-H60 PolarHBondContact O-N 2.81Å
56A61.7Low74.9Confident54 Ų5476.8 Ų76.845%0.44646%0.464SS..THydrogen-bonded Turntrans-63.8-31.1172.300000112.9W53 P54 G59W53-A56 HydrophobicContact CE3-CB 4.38Å; P54-A56 VanDerWaalsContact C-N 3.32Å; P54-A56 PolarHBondContact O-N 2.94Å; A56-G59 PolarHBondContact O-N 3.26Å
57A65.3Low74.8Confident58 Ų5874.5 Ų74.548%0.47945%0.449SS..THydrogen-bonded Turntrans-72.2-30.2176.900000112.4W53 P54 A55 G59W53-A57 HydrophobicContact CD2-CB 4.11Å; W53-A57 HydrophobicContact CE3-CB 3.87Å; W53-A57 HydrophobicContact CH2-CB 3.37Å; W53-A57 HydrophobicContact CZ2-CB 3.62Å; W53-A57 HydrophobicContact CZ3-CB 3.5Å; P54-A57 WeakPolarHBondContact O-CA 3.4Å; P54-A57 VanDerWaalsContact O-CB 3.25Å; P54-A57 WeakPolarHBondContact O-CB 3.26Å; P54-A57 PolarHBondContact O-N 2.93Å; A55-A57 VanDerWaalsContact C-N 3.27Å; A55-A57 PolarHBondContact O-N 3.33Å; A57-G59 PolarHBondContact O-N 2.85Å
58A69.1Low74.9Confident72 Ų7274.7 Ų74.760%0.59545%0.447SS*.THydrogen-bonded Turntrans-83.611.9176.600000113.5P54 A55 H60P54-A58 PolarHBondContact O-N 2.9Å; P54-A58 VanDerWaalsContact O-N 3.09Å; A55-A58 PolarHBondContact O-N 3.28Å; A58-H60 PolarHBondContact O-N 2.81Å
59G65.8Low75.2Confident65 Ų6572.1 Ų72.167%0.6743%0.434SS*.THydrogen-bonded Turntrans739.9-178.400000114.6A56 A57 H61A56-G59 PolarHBondContact O-N 3.26Å; A57-G59 PolarHBondContact O-N 2.85Å; G59-H61 PolarHBondContact O-N 2.96Å
60H66Low75.8Confident134 Ų13471.2 Ų71.262%0.6243%0.429SS*.  trans-74114.3173.2-76-110.3000109.6A55 A58A55-H60 HydrophobicContact CB-CB 4.31Å; A55-H60 VanDerWaalsContact O-CB 3.31Å; A55-H60 WeakPolarHBondContact O-CB 3.44Å; A55-H60 PolarHBondContact O-N 2.81Å; A58-H60 PolarHBondContact O-N 2.81Å
61H67.6Low76.7Confident145 Ų14566.1 Ų66.167%0.67140%0.395SS*.  trans-73.6148.1171.458.9-83.6000110.2G59 T63G59-H61 PolarHBondContact O-N 2.96Å; H61-T63 VanDerWaalsContact NE2-CG2 3.26Å; H61-T63 WeakPolarHBondContact NE2-CG2 3.41Å; H61-T63 PolarHBondContact O-N 2.7Å
62C76.5Confident78Confident43 Ų4363.3 Ų63.329%0.29138%0.376SS..  trans-70.994.9174.4-420000109.4H48 C51H48-C62 HydrophobicContact CB-CB 4.12Å; H48-C62 PolarHBondContact ND1-O 2.91Å; C51-C62 HydrophobicContact CB-CB 4.34Å; C51-C62 WeakPolarHBondContact CB-SG 3.38Å; C51-C62 WeakPolarHBondContact SG-CB 3.46Å; C51-C62 CovalentContact SG-SG 2Å; C51-C62 PolarHBondContact SG-SG 2.82Å
63T83.5Confident79.4Confident58 Ų5860.9 Ų60.936%0.35636%0.356SS..  trans-64.7140.7178.649.10000110.9H48 T49 H61 V65H48-T63 CarbonylContact C-O 3.59Å; H48-T63 VanDerWaalsContact CA-O 3.31Å; H48-T63 WeakPolarHBondContact CA-O 3.48Å; T49-T63 VanDerWaalsContact CG2-OG1 3.26Å; T49-T63 WeakPolarHBondContact CG2-OG1 3.32Å; T49-T63 PolarHBondContact N-O 2.61Å; T49-T63 PolarHBondContact OG1-N 2.87Å; T49-T63 PolarHBondContact OG1-O 2.82Å; T49-T63 PolarHBondContact OG1-OG1 3.15Å; T49-T63 VanDerWaalsContact OG1-OG1 3.04Å; H61-T63 VanDerWaalsContact NE2-CG2 3.26Å; H61-T63 WeakPolarHBondContact NE2-CG2 3.41Å; H61-T63 PolarHBondContact O-N 2.7Å; T63-V65 PolarHBondContact O-N 3.4Å
64V87.5Confident81.5Confident66 Ų6653.2 Ų53.240%0.433%0.327SS..EExtended strand (participates in β ladder)trans-68123.7167.9176.40000107.9V46V46-V64 HydrophobicContact CG1-CB 4.18Å; V46-V64 HydrophobicContact CG1-CG1 3.58Å; V46-V64 HydrophobicContact CG1-CG2 3.6Å
65V88.4Confident83.1Confident57 Ų5757.1 Ų57.135%0.34533%0.33SS..EExtended strand (participates in β ladder)trans-100.4-19176-630000112.1I47 T49 T63 M93 E94I47-V65 HydrophobicContact CB-CG2 3.89Å; I47-V65 HydrophobicContact CG2-CG2 3.53Å; I47-V65 WeakPolarHBondContact O-CG2 3.34Å; I47-V65 PolarHBondContact O-N 3.5Å; T49-V65 HydrophobicContact CG2-CG1 3.34Å; T63-V65 PolarHBondContact O-N 3.4Å; V65-M93 WeakPolarHBondContact O-CA 3.15Å; V65-E94 PolarHBondContact O-N 3.23Å; V65-E94 VanDerWaalsContact O-N 3.08Å
66G90.4Very high84.6Confident1 Ų156.7 Ų56.71%0.0133%0.329CS..EExtended strand (participates in β ladder)trans165.8-162.1-178.400000114.3I47 R92I47-G66 PolarHBondContact N-O 3.33Å; I47-G66 PolarHBondContact O-N 2.85Å; G66-R92 CarbonylContact C-O 3.6Å; G66-R92 WeakPolarHBondContact CA-O 3.17Å
67M92.6Very high86.1Confident25 Ų2561.4 Ų61.412%0.12334%0.335CS..EExtended strand (participates in β ladder)trans-134.6146.4-174.7-62.8-70.2-75.400111.4D44 R45 V46 F91 R92 E94D44-M67 HydrophobicContact CB-CE 3.71Å; R45-M67 CarbonylContact O-C 3.54Å; R45-M67 WeakPolarHBondContact O-CA 3.17Å; V46-M67 WeakPolarHBondContact CA-SD 3.49Å; V46-M67 HydrophobicContact CB-SD 3.93Å; V46-M67 HydrophobicContact CG1-SD 4.19Å; V46-M67 HydrophobicContact CG2-CE 4.04Å; V46-M67 HydrophobicContact CG2-SD 3.59Å; V46-M67 VanDerWaalsContact CG2-SD 3.59Å; M67-F91 WeakPolarHBondContact O-CA 3.43Å; M67-R92 HydrophobicContact CB-CG 3.89Å; M67-R92 PolarHBondContact N-O 2.81Å; M67-R92 PolarHBondContact O-N 3.15Å; M67-E94 HydrophobicContact CG-CG 4.32Å; M67-E94 WeakPolarHBondContact CG-OE1 3.37Å
68R94.7Very high87.2Confident53 Ų5363.3 Ų63.320%0.234%0.341CS..EExtended strand (participates in β ladder)trans-112.3116.5173.9-169.6-175.977177.67.4110.5D44 R45 I47 H89 E90 F91D44-R68 WeakPolarHBondContact CA-O 3.45Å; R45-R68 PolarHBondContact N-O 2.75Å; R45-R68 PolarHBondContact O-N 2.99Å; I47-R68 HydrophobicContact CD1-CB 4.07Å; I47-R68 HydrophobicContact CG1-CB 4.23Å; R68-H89 HydrophobicContact CG-CB 4.05Å; R68-E90 CarbonylContact C-O 3.54Å; R68-E90 WeakPolarHBondContact CA-O 3.4Å; R68-F91 HydrophobicContact CB-CD1 4.07Å; R68-F91 HydrophobicContact CB-CE1 4.05Å; R68-F91 HydrophobicContact CG-CD1 3.86Å; R68-F91 HydrophobicContact CG-CE1 3.56Å; R68-F91 HydrophobicContact CG-CG 4.48Å; R68-F91 HydrophobicContact CG-CZ 3.94Å
69K94.7Very high88.2Confident42 Ų4265.1 Ų65.118%0.18335%0.347CS..EExtended strand (participates in β ladder)trans-93.6138.5169-179175.2-57.8-59.10109.8D44 L71 H89 E90D44-K69 WeakPolarHBondContact OD1-CG 3.36Å; D44-K69 IonicContact OD1-NZ 2.69Å; D44-K69 PolarHBondContact OD1-NZ 3.44Å; D44-K69 IonicContact OD2-NZ 2.77Å; D44-K69 PolarHBondContact OD2-NZ 3.32Å; K69-L71 HydrophobicContact CD-CD1 4.33Å; K69-L71 HydrophobicContact CG-CD1 4Å; K69-L71 HydrophobicContact CG-CG 4.49Å; K69-H89 CarbonylContact O-C 3.53Å; K69-H89 WeakPolarHBondContact O-CA 3.03Å; K69-E90 HydrophobicContact CB-CB 4.37Å; K69-E90 PolarHBondContact N-O 3.14Å; K69-E90 PolarHBondContact O-N 2.8Å
70T96.4Very high89.4Confident27 Ų2768.8 Ų68.817%0.16635%0.351CS..EExtended strand (participates in β ladder)trans-106.8133175-59.20000110A40 T41 V87 M88 H89A40-T70 WeakPolarHBondContact CA-O 3.48Å; T41-T70 HydrophobicContact CG2-CG2 3.61Å; T41-T70 PolarHBondContact N-O 3.02Å; T70-V87 HydrophobicContact CG2-CG1 3.86Å; T70-M88 WeakPolarHBondContact CA-O 3.47Å; T70-H89 PolarHBondContact OG1-CD2 2.88Å; T70-H89 VanDerWaalsContact OG1-CD2 3.28Å
71L95.8Very high90.7Very high5 Ų563.1 Ų63.13%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-125.8147.9176.6-53.185.5000110.4R31 W38 K39 K69 V87 M88 E90R31-L71 HydrophobicContact CB-CD2 4.48Å; R31-L71 HydrophobicContact CG-CD2 4.01Å; W38-L71 HydrophobicContact CB-CB 4.11Å; W38-L71 HydrophobicContact CB-CD2 3.7Å; W38-L71 HydrophobicContact CE3-CB 4.09Å; K39-L71 CarbonylContact O-C 3.53Å; K39-L71 VanDerWaalsContact O-CA 3.25Å; K39-L71 WeakPolarHBondContact O-CA 3.41Å; K69-L71 HydrophobicContact CD-CD1 4.33Å; K69-L71 HydrophobicContact CG-CD1 4Å; K69-L71 HydrophobicContact CG-CG 4.49Å; L71-V87 WeakPolarHBondContact O-CA 3.37Å; L71-M88 HydrophobicContact CB-CB 4.3Å; L71-M88 HydrophobicContact CD1-CB 4.5Å; L71-M88 HydrophobicContact CD1-CG 4.42Å; L71-M88 HydrophobicContact CD1-SD 4.46Å; L71-M88 PolarHBondContact N-O 2.92Å; L71-M88 PolarHBondContact O-N 2.86Å; L71-E90 HydrophobicContact CD1-CB 3.94Å
72V96.2Very high92Very high15 Ų1561.1 Ų61.19%0.09133%0.326CS..EExtended strand (participates in β ladder)trans-117.8137173.5175.40000108.7K39 T41 Y74 K83 T84K39-V72 PolarHBondContact N-O 2.8Å; K39-V72 PolarHBondContact O-N 3.44Å; T41-V72 HydrophobicContact CG2-CG2 3.71Å; V72-Y74 HydrophobicContact CB-CE2 4.28Å; V72-Y74 HydrophobicContact CG1-CD2 4.5Å; V72-Y74 HydrophobicContact CG1-CE2 4.1Å; V72-K83 HydrophobicContact CG1-CD 4.5Å; V72-K83 HydrophobicContact CG1-CG 3.78Å; V72-T84 WeakPolarHBondContact CG1-O 3.26Å
73F96.4Very high92.9Very high23 Ų2365.6 Ų65.610%0.10134%0.341CS..EExtended strand (participates in β ladder)trans-82.5134.6178.2-173.9-111.7000111.4T33 W38 R75 T84 W86T33-F73 HydrophobicContact CG2-CE2 4.27Å; W38-F73 HydrophobicContact CD2-CB 4.09Å; W38-F73 AromaticContact CD2-CD2 3.92Å; W38-F73 HydrophobicContact CD2-CD2 3.92Å; W38-F73 HydrophobicContact CD2-CG 4.49Å; W38-F73 AromaticContact CE2-CD2 3.68Å; W38-F73 HydrophobicContact CE3-CB 3.75Å; W38-F73 HydrophobicContact CE3-CD2 4.45Å; W38-F73 HydrophobicContact CG-CD2 4.22Å; W38-F73 HydrophobicContact CH2-CB 3.83Å; W38-F73 HydrophobicContact CH2-CG 4.45Å; W38-F73 HydrophobicContact CZ2-CB 4.15Å; W38-F73 HydrophobicContact CZ2-CD2 4.04Å; W38-F73 HydrophobicContact CZ2-CG 4.32Å; W38-F73 HydrophobicContact CZ3-CB 3.62Å; W38-F73 AromaticContact NE1-CD2 3.86Å; F73-R75 HydrophobicContact CE1-CB 4.34Å; F73-T84 WeakPolarHBondContact CB-OG1 3.32Å; F73-T84 HydrophobicContact CD1-CG2 3.95Å; F73-T84 WeakPolarHBondContact O-CB 3.29Å; F73-T84 PolarHBondContact O-N 3.15Å; F73-T84 PolarHBondContact O-OG1 2.83Å; F73-W86 HydrophobicContact CB-CB 3.78Å; F73-W86 PolarHBondContact N-O 3Å
74Y96.9Very high93.5Very high41 Ų4164.4 Ų64.416%0.16133%0.334CS..EExtended strand (participates in β ladder)trans-113.1127171.4-74.6-109.2000108.5G36 Y37 K39 V72 G81 V82 K83G36-Y74 CarbonylContact C-O 3.5Å; G36-Y74 WeakPolarHBondContact CA-O 3.49Å; Y37-Y74 HydrophobicContact CE1-CG 4.43Å; Y37-Y74 HydrophobicContact CE2-CD2 4.17Å; Y37-Y74 AromaticContact CE2-CG 3.95Å; Y37-Y74 HydrophobicContact CE2-CG 3.95Å; Y37-Y74 VanDerWaalsContact CZ-CB 3.42Å; Y37-Y74 AromaticContact CZ-CG 3.79Å; Y37-Y74 PolarHBondContact N-O 2.98Å; Y37-Y74 PolarHBondContact O-N 2.69Å; K39-Y74 HydrophobicContact CB-CD2 3.84Å; K39-Y74 HydrophobicContact CB-CE2 3.7Å; K39-Y74 HydrophobicContact CD-CE2 3.87Å; K39-Y74 HydrophobicContact CG-CE2 4.38Å; V72-Y74 HydrophobicContact CB-CE2 4.28Å; V72-Y74 HydrophobicContact CG1-CD2 4.5Å; V72-Y74 HydrophobicContact CG1-CE2 4.1Å; Y74-G81 WeakPolarHBondContact CD1-O 3.41Å; Y74-V82 CarbonylContact C-O 3.39Å; Y74-V82 VanDerWaalsContact CA-O 3.28Å; Y74-V82 WeakPolarHBondContact CA-O 3.21Å; Y74-K83 HydrophobicContact CD1-CB 4.05Å; Y74-K83 HydrophobicContact CE1-CB 3.59Å; Y74-K83 HydrophobicContact CE1-CG 4.18Å; Y74-K83 HydrophobicContact CE2-CB 4.49Å; Y74-K83 HydrophobicContact CE2-CG 4.26Å
75R96.5Very high93.8Very high178 Ų17862.6 Ų62.667%0.67232%0.324SS*.EExtended strand (participates in β ladder)trans-84.5134.4175.8-174.8179.4179.3-175.9-0.4109.4F73 G81 V82 T84F73-R75 HydrophobicContact CE1-CB 4.34Å; R75-G81 CarbonylContact O-C 3.45Å; R75-G81 VanDerWaalsContact O-CA 3.27Å; R75-G81 WeakPolarHBondContact O-CA 2.96Å; R75-V82 PolarHBondContact N-O 2.99Å; R75-V82 PolarHBondContact O-N 2Å; R75-T84 HydrophobicContact CB-CG2 3.92Å
76G95Very high94.2Very high29 Ų2964.5 Ų64.530%0.29933%0.325SS..SBendtrans99.9-171.1-177.100000113.3S35 G36S35-G76 PolarHBondContact O-N 3.19Å; G36-G76 WeakPolarHBondContact CA-O 3.29Å
77R93.2Very high94.4Very high152 Ų15265.3 Ų65.357%0.57433%0.33SS*.SBendtrans-97.8149.7-178.7-64.3-58.8-172.9-162.70.5111.3T33 K34 N80 G81T33-R77 PolarHBondContact O-NH1 2.83Å; K34-R77 PolarHBondContact O-NH2 2.77Å; R77-N80 CarbonylContact O-C 3.5Å; R77-N80 PolarHBondContact O-N 2.79Å; R77-G81 PolarHBondContact O-N 2.95Å; R77-G81 VanDerWaalsContact O-N 3.1Å
78T88.9Confident94.6Very high98 Ų9864.6 Ų64.660%0.60133%0.326SS*.SBendtrans-60.8141.1169.851.10000109.8Y37Y37-T78 HydrophobicContact CD1-CG2 3.78Å; Y37-T78 HydrophobicContact CD2-CG2 4.03Å; Y37-T78 HydrophobicContact CE1-CG2 3.52Å; Y37-T78 HydrophobicContact CE2-CG2 3.78Å; Y37-T78 HydrophobicContact CG-CG2 4.03Å
79P89.3Confident94.6Very high111 Ų11162.9 Ų62.972%0.72132%0.32SS*.SBendcis-84.7-15.1-3.332.9-33.8000114.2G81P79-G81 PolarHBondContact O-N 2.84Å
80N91.7Very high94.6Very high142 Ų14261.2 Ų61.276%0.75931%0.313SS*.SBendtrans-75.422.3-171.1-56.1-25000115R77R77-N80 CarbonylContact O-C 3.5Å; R77-N80 PolarHBondContact O-N 2.79Å
81G92.1Very high94.5Very high15 Ų1562.3 Ų62.316%0.15532%0.316CS..PPolyproline II helixtrans-70.5137.8-179.600000111.2Y74 R75 R77 P79Y74-G81 WeakPolarHBondContact CD1-O 3.41Å; R75-G81 CarbonylContact O-C 3.45Å; R75-G81 VanDerWaalsContact O-CA 3.27Å; R75-G81 WeakPolarHBondContact O-CA 2.96Å; R77-G81 PolarHBondContact O-N 2.95Å; R77-G81 VanDerWaalsContact O-N 3.1Å; P79-G81 PolarHBondContact O-N 2.84Å
82V95.8Very high94.2Very high102 Ų10264.9 Ų64.962%0.61833%0.325SS*.EExtended strand (participates in β ladder)trans-90.9122.5175.7-178.60000109.4Y74 R75 T84Y74-V82 CarbonylContact C-O 3.39Å; Y74-V82 VanDerWaalsContact CA-O 3.28Å; Y74-V82 WeakPolarHBondContact CA-O 3.21Å; R75-V82 PolarHBondContact N-O 2.99Å; R75-V82 PolarHBondContact O-N 2Å; V82-T84 PolarHBondContact O-N 2.81Å
83K95.5Very high93.7Very high138 Ų13871 Ų7160%0.635%0.354SS*.EExtended strand (participates in β ladder)trans-59.3127.9176-173.1-178.8177.9-177.90109.7V72 Y74V72-K83 HydrophobicContact CG1-CD 4.5Å; V72-K83 HydrophobicContact CG1-CG 3.78Å; Y74-K83 HydrophobicContact CD1-CB 4.05Å; Y74-K83 HydrophobicContact CE1-CB 3.59Å; Y74-K83 HydrophobicContact CE1-CG 4.18Å; Y74-K83 HydrophobicContact CE2-CB 4.49Å; Y74-K83 HydrophobicContact CE2-CG 4.26Å
84T95.4Very high92.7Very high33 Ų3374 Ų7420%0.20237%0.368CS..EExtended strand (participates in β ladder)trans-106.5171.3175.674.40000110.9V72 F73 R75 V82 W86V72-T84 WeakPolarHBondContact CG1-O 3.26Å; F73-T84 WeakPolarHBondContact CB-OG1 3.32Å; F73-T84 HydrophobicContact CD1-CG2 3.95Å; F73-T84 WeakPolarHBondContact O-CB 3.29Å; F73-T84 PolarHBondContact O-N 3.15Å; F73-T84 PolarHBondContact O-OG1 2.83Å; R75-T84 HydrophobicContact CB-CG2 3.92Å; V82-T84 PolarHBondContact O-N 2.81Å; T84-W86 PolarHBondContact O-N 3.07Å; T84-W86 PolarHBondContact OG1-N 2.86Å
85S95Very high91.4Very high27 Ų2775.9 Ų75.919%0.18938%0.382CS..EExtended strand (participates in β ladder)trans-83.85.3174.3-49.50000114K112S85-K112 WeakPolarHBondContact CB-O 3.4Å; S85-K112 WeakPolarHBondContact O-CB 3.36Å; S85-K112 PolarHBondContact O-N 3.32Å
86W95.4Very high89.8Confident98 Ų9872.8 Ų72.837%0.37138%0.384SS..EExtended strand (participates in β ladder)trans-76.4127.1174.9-70.7101.4000110.6W38 F73 T84 V109 Y111W38-W86 HydrophobicContact CH2-CB 4.15Å; W38-W86 HydrophobicContact CZ3-CB 4.43Å; F73-W86 HydrophobicContact CB-CB 3.78Å; F73-W86 PolarHBondContact N-O 3Å; T84-W86 PolarHBondContact O-N 3.07Å; T84-W86 PolarHBondContact OG1-N 2.86Å; W86-V109 HydrophobicContact CE3-CG1 3.93Å; W86-V109 HydrophobicContact CZ3-CG1 4.24Å; W86-Y111 AromaticContact CD1-CD2 3.93Å; W86-Y111 AromaticContact CD2-CD2 3.75Å; W86-Y111 HydrophobicContact CD2-CD2 3.75Å; W86-Y111 AromaticContact CE2-CD2 3.56Å; W86-Y111 HydrophobicContact CE3-CD2 4.34Å; W86-Y111 AromaticContact CG-CD2 3.99Å; W86-Y111 HydrophobicContact CG-CD2 3.99Å; W86-Y111 AromaticContact CZ2-CD2 4Å; W86-Y111 HydrophobicContact CZ2-CD2 4Å; W86-Y111 AromaticContact NE1-CD2 3.66Å; W86-Y111 AromaticContact NE1-CE2 3.95Å
87V96Very high88.3Confident18 Ų1879.5 Ų79.511%0.10941%0.408CS..EExtended strand (participates in β ladder)trans-121.7140.3179.9-178.20000109T70 L71 V109 F110T70-V87 HydrophobicContact CG2-CG1 3.86Å; L71-V87 WeakPolarHBondContact O-CA 3.37Å; V87-V109 WeakPolarHBondContact O-CA 3.26Å; V87-F110 HydrophobicContact CB-CD1 4.38Å; V87-F110 HydrophobicContact CB-CD2 4.38Å; V87-F110 HydrophobicContact CB-CE1 3.85Å; V87-F110 HydrophobicContact CB-CE2 3.86Å; V87-F110 HydrophobicContact CB-CZ 3.57Å; V87-F110 HydrophobicContact CG1-CE1 3.7Å; V87-F110 HydrophobicContact CG1-CE2 4.23Å; V87-F110 HydrophobicContact CG1-CZ 3.47Å; V87-F110 VanDerWaalsContact CG1-CZ 3.47Å; V87-F110 HydrophobicContact CG2-CE2 4.3Å; V87-F110 HydrophobicContact CG2-CZ 4.34Å; V87-F110 PolarHBondContact N-O 3.08Å; V87-F110 PolarHBondContact O-N 2.98Å
88M95.4Very high86.7Confident9 Ų976.2 Ų76.24%0.04441%0.405CS..EExtended strand (participates in β ladder)trans-119.9134.8170.7-179.5-176.8-66.900109.4F15 W38 T70 L71 C107 R108 V109F15-M88 HydrophobicContact CE1-CE 4.48Å; F15-M88 HydrophobicContact CZ-CE 3.8Å; W38-M88 HydrophobicContact CD2-CB 4.45Å; W38-M88 HydrophobicContact CD2-CE 3.98Å; W38-M88 HydrophobicContact CE3-CB 3.76Å; W38-M88 HydrophobicContact CE3-CE 4.37Å; W38-M88 HydrophobicContact CH2-CB 4.02Å; W38-M88 HydrophobicContact CH2-CE 4.08Å; W38-M88 HydrophobicContact CZ2-CE 3.66Å; W38-M88 HydrophobicContact CZ3-CB 3.52Å; W38-M88 HydrophobicContact CZ3-CE 4.41Å; T70-M88 WeakPolarHBondContact CA-O 3.47Å; L71-M88 HydrophobicContact CB-CB 4.3Å; L71-M88 HydrophobicContact CD1-CB 4.5Å; L71-M88 HydrophobicContact CD1-CG 4.42Å; L71-M88 HydrophobicContact CD1-SD 4.46Å; L71-M88 PolarHBondContact N-O 2.92Å; L71-M88 PolarHBondContact O-N 2.86Å; M88-C107 HydrophobicContact CG-CB 4.38Å; M88-C107 HydrophobicContact SD-CB 4.34Å; M88-R108 CarbonylContact C-O 3.53Å; M88-R108 VanDerWaalsContact CA-O 3.26Å; M88-R108 WeakPolarHBondContact CA-O 3.29Å; M88-V109 HydrophobicContact CB-CG2 3.99Å; M88-V109 HydrophobicContact CE-CG2 3.47Å; M88-V109 VanDerWaalsContact CE-CG2 3.47Å; M88-V109 HydrophobicContact CG-CG2 3.83Å; M88-V109 HydrophobicContact SD-CG2 4.45Å
89H95.7Very high85.3Confident18 Ų1877 Ų778%0.08341%0.411CS..EExtended strand (participates in β ladder)trans-104.8122.1162.5-65.7152.1000108.7R68 K69 T70 F91 C107 R108 F110R68-H89 HydrophobicContact CG-CB 4.05Å; K69-H89 CarbonylContact O-C 3.53Å; K69-H89 WeakPolarHBondContact O-CA 3.03Å; T70-H89 PolarHBondContact OG1-CD2 2.88Å; T70-H89 VanDerWaalsContact OG1-CD2 3.28Å; H89-F91 HydrophobicContact CB-CD2 4.32Å; H89-F91 HydrophobicContact CB-CE2 3.56Å; H89-F91 HydrophobicContact CB-CZ 3.86Å; H89-C107 CarbonylContact O-C 3.51Å; H89-C107 VanDerWaalsContact O-CA 3.29Å; H89-C107 WeakPolarHBondContact O-CA 3.45Å; H89-R108 HydrophobicContact CB-CB 4.33Å; H89-R108 PolarHBondContact N-O 2.84Å; H89-R108 PolarHBondContact O-N 3.37Å; H89-F110 AromaticContact CE1-CE1 3.57Å; H89-F110 AromaticContact CE1-CZ 3.7Å; H89-F110 AromaticContact ND1-CE1 3.69Å
90E94.6Very high83.8Confident7 Ų775.2 Ų75.23%0.03340%0.399CS..EExtended strand (participates in β ladder)trans-104.6118.5174.8-175.1178.9116.600108.3R31 R68 K69 L71 V105R31-E90 IonicContact CZ-OE2 3.53Å; R31-E90 VanDerWaalsContact CZ-OE2 3.26Å; R31-E90 IonicContact NE-OE2 3.51Å; R31-E90 PolarHBondContact NE-OE2 2.89Å; R31-E90 IonicContact NH2-OE1 2.74Å; R31-E90 IonicContact NH2-OE2 3.87Å; R31-E90 PolarHBondContact NH2-OE2 3.33Å; R68-E90 CarbonylContact C-O 3.54Å; R68-E90 WeakPolarHBondContact CA-O 3.4Å; K69-E90 HydrophobicContact CB-CB 4.37Å; K69-E90 PolarHBondContact N-O 3.14Å; K69-E90 PolarHBondContact O-N 2.8Å; L71-E90 HydrophobicContact CD1-CB 3.94Å; E90-V105 HydrophobicContact CG-CB 3.79Å; E90-V105 HydrophobicContact CG-CG1 3.96Å; E90-V105 HydrophobicContact CG-CG2 3.84Å
91F92.9Very high82.4Confident50 Ų5078.5 Ų78.522%0.21941%0.407CS..EExtended strand (participates in β ladder)trans-103.8124.6-178.6-60.6-92.2000108.9I47 M67 R68 H89 V105 L106 R108I47-F91 HydrophobicContact CD1-CD1 3.51Å; I47-F91 HydrophobicContact CD1-CE1 4.13Å; M67-F91 WeakPolarHBondContact O-CA 3.43Å; R68-F91 HydrophobicContact CB-CD1 4.07Å; R68-F91 HydrophobicContact CB-CE1 4.05Å; R68-F91 HydrophobicContact CG-CD1 3.86Å; R68-F91 HydrophobicContact CG-CE1 3.56Å; R68-F91 HydrophobicContact CG-CG 4.48Å; R68-F91 HydrophobicContact CG-CZ 3.94Å; H89-F91 HydrophobicContact CB-CD2 4.32Å; H89-F91 HydrophobicContact CB-CE2 3.56Å; H89-F91 HydrophobicContact CB-CZ 3.86Å; F91-V105 WeakPolarHBondContact O-CA 3.35Å; F91-V105 WeakPolarHBondContact O-CB 3.31Å; F91-L106 HydrophobicContact CB-CB 4.19Å; F91-L106 HydrophobicContact CD2-CG 4.4Å; F91-L106 WeakPolarHBondContact CD2-O 3.43Å; F91-L106 PolarHBondContact N-O 3.48Å; F91-L106 PolarHBondContact O-N 3.08Å; F91-L106 VanDerWaalsContact O-N 3.08Å; F91-R108 HydrophobicContact CE2-CB 4.06Å
92R89.8Confident81.1Confident59 Ų5983.6 Ų83.622%0.22343%0.427CS..EExtended strand (participates in β ladder)trans-117.1141.8172.666.7-179.8-169.6-118.62.5109.4D44 G66 M67 E94 V105D44-R92 IonicContact OD2-CZ 2.98Å; D44-R92 IonicContact OD2-NH1 3.69Å; D44-R92 PolarHBondContact OD2-NH1 2.92Å; D44-R92 IonicContact OD2-NH2 3.53Å; G66-R92 CarbonylContact C-O 3.6Å; G66-R92 WeakPolarHBondContact CA-O 3.17Å; M67-R92 HydrophobicContact CB-CG 3.89Å; M67-R92 PolarHBondContact N-O 2.81Å; M67-R92 PolarHBondContact O-N 3.15Å; R92-E94 IonicContact NE-OE1 2.86Å; R92-E94 IonicContact NH2-OE1 3.66Å; R92-V105 HydrophobicContact CB-CG1 4.17Å
93M85.5Confident80.4Confident144 Ų14480.5 Ų80.571%0.70941%0.407SS*.EExtended strand (participates in β ladder)trans-79.7145.6167.9-71.1-171.7-74.500110V65 N95V65-M93 WeakPolarHBondContact O-CA 3.15Å; M93-N95 WeakPolarHBondContact CB-OD1 3.42Å
94E77Confident79.9Confident84 Ų8478.7 Ų78.739%0.39340%0.396SS..  trans-110.896.3166.2-73.2-174.917400106.8V65 M67 R92 P96V65-E94 PolarHBondContact O-N 3.23Å; V65-E94 VanDerWaalsContact O-N 3.08Å; M67-E94 HydrophobicContact CG-CG 4.32Å; M67-E94 WeakPolarHBondContact CG-OE1 3.37Å; R92-E94 IonicContact NE-OE1 2.86Å; R92-E94 IonicContact NH2-OE1 3.66Å; E94-P96 VanDerWaalsContact O-CD 3.25Å; E94-P96 WeakPolarHBondContact O-CD 3.39Å
95N69.1Low79.7Confident82 Ų8277.2 Ų77.244%0.43939%0.387SS..  trans-95.6106.6172.6-72.191000108.2M93 H97M93-N95 WeakPolarHBondContact CB-OD1 3.42Å; N95-H97 PolarHBondContact O-N 2.9Å
96P62Low79.6Confident112 Ų11278.6 Ų78.673%0.72739%0.392SS*.SBendtrans-70-18.1177.824.2-31000113E94E94-P96 VanDerWaalsContact O-CD 3.25Å; E94-P96 WeakPolarHBondContact O-CD 3.39Å
97H63.3Low79.5Confident171 Ų17174 Ų7479%0.79238%0.375SS*.SBendtrans-102-9.6-170.2-57.1-52.1000114.9N95N95-H97 PolarHBondContact O-N 2.9Å
98T60.1Low79.4Confident83 Ų8376 Ų7651%0.50938%0.38SS..SBendtrans-147.4123.8178.942.80000109.9
99P59.1Low79.4Confident114 Ų11476.3 Ų76.374%0.7438%0.383SS*.  trans-59.4130.1165.125.5-30.6000107.3K101P99-K101 PolarHBondContact O-N 3.04Å
100P58.3Low79.3Confident73 Ų7377.2 Ų77.247%0.47439%0.387SS..  trans-57.7118.1177.1-19.629.8000108.2E102P100-E102 PolarHBondContact O-N 3.13Å
101K62.2Low79.2Confident211 Ų21182.1 Ų82.192%0.91741%0.406SS*.SBendtrans-59.1-25.8170.5-72-176.6178.3179.10110.7P99P99-K101 PolarHBondContact O-N 3.04Å
102E65.6Low79.1Confident123 Ų12386.1 Ų86.158%0.57542%0.423SS*.SBendtrans-140.3117.7-179.8-62.9177.7-16500109.6F18 P100 W104F18-E102 HydrophobicContact CE1-CB 4.23Å; P100-E102 PolarHBondContact O-N 3.13Å; E102-W104 VanDerWaalsContact C-N 3.28Å; E102-W104 VanDerWaalsContact CB-CD1 3.49Å; E102-W104 PolarHBondContact O-N 2.99Å; E102-W104 PolarHBondContact OE2-NE1 3.01Å
103D80.1Confident78.8Confident37 Ų3791.1 Ų91.120%0.19845%0.446CS..  trans-80.669.1-177.8-93.5-16.1000111.1R19 R21R19-D103 HydrophobicContact CB-CB 4.05Å; R19-D103 HydrophobicContact CG-CB 4.27Å; R19-D103 WeakPolarHBondContact CG-O 3.08Å; R19-D103 PolarHBondContact N-O 2.9Å; R21-D103 IonicContact CZ-OD2 3.73Å; R21-D103 IonicContact NE-OD2 2.69Å; R21-D103 IonicContact NH2-OD2 3.26Å; R21-D103 PolarHBondContact NH2-OD2 2.87Å
104W85.7Confident78Confident99 Ų9991 Ų9138%0.37544%0.442SS..EExtended strand (participates in β ladder)trans-81.2144.4172.6-68.697.1000111.8F16 F18 E102F16-W104 HydrophobicContact CB-CE3 3.93Å; F16-W104 HydrophobicContact CB-CZ3 4.11Å; F18-W104 HydrophobicContact CD1-CD2 4.06Å; F18-W104 HydrophobicContact CD1-CE3 4.42Å; F18-W104 HydrophobicContact CD1-CG 4.45Å; F18-W104 HydrophobicContact CD1-CZ2 4.44Å; F18-W104 HydrophobicContact CD2-CD2 4.41Å; F18-W104 HydrophobicContact CD2-CE3 4.14Å; F18-W104 AromaticContact CD2-CH2 3.6Å; F18-W104 HydrophobicContact CD2-CH2 3.6Å; F18-W104 AromaticContact CD2-CZ2 3.88Å; F18-W104 HydrophobicContact CD2-CZ2 3.88Å; F18-W104 AromaticContact CD2-CZ3 3.73Å; F18-W104 HydrophobicContact CD2-CZ3 3.73Å; F18-W104 AromaticContact CE1-CD2 3.91Å; F18-W104 HydrophobicContact CE1-CD2 3.91Å; F18-W104 AromaticContact CE1-CE2 3.41Å; F18-W104 VanDerWaalsContact CE1-CE2 3.41Å; F18-W104 HydrophobicContact CE1-CG 4.32Å; F18-W104 HydrophobicContact CE1-CH2 4.43Å; F18-W104 AromaticContact CE1-CZ2 3.75Å; F18-W104 HydrophobicContact CE1-CZ2 3.75Å; F18-W104 AromaticContact CE1-NE1 3.44Å; F18-W104 HydrophobicContact CE2-CD2 4.28Å; F18-W104 AromaticContact CE2-CE2 3.66Å; F18-W104 HydrophobicContact CE2-CE3 4.3Å; F18-W104 AromaticContact CE2-CH2 3.14Å; F18-W104 HydrophobicContact CE2-CH2 3.14Å; F18-W104 AromaticContact CE2-CZ2 3.08Å; F18-W104 HydrophobicContact CE2-CZ2 3.08Å; F18-W104 AromaticContact CE2-CZ3 3.78Å; F18-W104 HydrophobicContact CE2-CZ3 3.78Å; F18-W104 HydrophobicContact CG-CD2 4.32Å; F18-W104 HydrophobicContact CG-CE3 4.22Å; F18-W104 HydrophobicContact CG-CH2 4.42Å; F18-W104 HydrophobicContact CG-CZ3 4.27Å; F18-W104 HydrophobicContact CZ-CD2 4.04Å; F18-W104 AromaticContact CZ-CE2 3.21Å; F18-W104 AromaticContact CZ-CH2 3.65Å; F18-W104 HydrophobicContact CZ-CH2 3.65Å; F18-W104 AromaticContact CZ-CZ2 3.01Å; F18-W104 HydrophobicContact CZ-CZ2 3.01Å; F18-W104 HydrophobicContact CZ-CZ3 4.35Å; F18-W104 AromaticContact CZ-NE1 3.56Å; E102-W104 VanDerWaalsContact C-N 3.28Å; E102-W104 VanDerWaalsContact CB-CD1 3.49Å; E102-W104 PolarHBondContact O-N 2.99Å; E102-W104 PolarHBondContact OE2-NE1 3.01Å
105V90.5Very high76.9Confident2 Ų291.1 Ų91.11%0.01246%0.457CS..EExtended strand (participates in β ladder)trans-123.4146.7167.1-71.60000110.3F16 S17 R19 E90 F91 R92F16-V105 WeakPolarHBondContact CA-O 3.37Å; S17-V105 PolarHBondContact N-O 2.99Å; S17-V105 WeakPolarHBondContact O-CG2 2.95Å; S17-V105 PolarHBondContact O-N 3.38Å; R19-V105 HydrophobicContact CG-CB 4.46Å; R19-V105 HydrophobicContact CG-CG1 3.47Å; R19-V105 VanDerWaalsContact CG-CG1 3.47Å; R19-V105 HydrophobicContact CG-CG2 4.23Å; E90-V105 HydrophobicContact CG-CB 3.79Å; E90-V105 HydrophobicContact CG-CG1 3.96Å; E90-V105 HydrophobicContact CG-CG2 3.84Å; F91-V105 WeakPolarHBondContact O-CA 3.35Å; F91-V105 WeakPolarHBondContact O-CB 3.31Å; R92-V105 HydrophobicContact CB-CG1 4.17Å
106L92.7Very high75.6Confident57 Ų5794.2 Ų94.230%0.29847%0.474SS..EExtended strand (participates in β ladder)trans-91.4128.1167.6174.365.3000108.4Y14 F16 F91Y14-L106 HydrophobicContact CD1-CD1 4.45Å; F16-L106 HydrophobicContact CD1-CB 4.2Å; F16-L106 HydrophobicContact CD1-CD1 4.25Å; F16-L106 HydrophobicContact CE1-CB 3.95Å; F16-L106 HydrophobicContact CE1-CD1 3.97Å; F16-L106 HydrophobicContact CE1-CG 4.46Å; F16-L106 HydrophobicContact CE2-CD1 4.45Å; F16-L106 HydrophobicContact CZ-CD1 4.07Å; F91-L106 HydrophobicContact CB-CB 4.19Å; F91-L106 HydrophobicContact CD2-CG 4.4Å; F91-L106 WeakPolarHBondContact CD2-O 3.43Å; F91-L106 PolarHBondContact N-O 3.48Å; F91-L106 PolarHBondContact O-N 3.08Å; F91-L106 VanDerWaalsContact O-N 3.08Å
107C94.1Very high74.3Confident0 Ų092 Ų920%047%0.465CS..EExtended strand (participates in β ladder)trans-112.2131.6177.7-68.80000109.9Y14 F15 M88 H89Y14-C107 VanDerWaalsContact CA-O 3.26Å; Y14-C107 WeakPolarHBondContact CA-O 3.25Å; F15-C107 HydrophobicContact CD1-CB 4.1Å; F15-C107 HydrophobicContact CD2-CB 3.8Å; F15-C107 HydrophobicContact CE1-CB 3.74Å; F15-C107 HydrophobicContact CE2-CB 3.39Å; F15-C107 HydrophobicContact CG-CB 4.14Å; F15-C107 HydrophobicContact CZ-CB 3.36Å; F15-C107 PolarHBondContact N-O 3.38Å; F15-C107 PolarHBondContact O-N 3.43Å; M88-C107 HydrophobicContact CG-CB 4.38Å; M88-C107 HydrophobicContact SD-CB 4.34Å; H89-C107 CarbonylContact O-C 3.51Å; H89-C107 VanDerWaalsContact O-CA 3.29Å; H89-C107 WeakPolarHBondContact O-CA 3.45Å
108R94.8Very high73.2Confident60 Ų6092.4 Ų92.423%0.22647%0.469CS..EExtended strand (participates in β ladder)trans-109.5121.5165.8177.7-171.5178.1-170.1-1.1108.9E12 W13 Y14 M88 H89 F91 F110E12-R108 IonicContact OE1-CZ 3.08Å; E12-R108 IonicContact OE1-NE 2.82Å; E12-R108 IonicContact OE1-NH2 2.7Å; E12-R108 PolarHBondContact OE1-NH2 3.44Å; E12-R108 IonicContact OE2-CZ 3.68Å; E12-R108 IonicContact OE2-NE 2.61Å; E12-R108 PolarHBondContact OE2-NE 3.04Å; E12-R108 IonicContact OE2-NH2 3.47Å; E12-R108 PolarHBondContact OE2-NH2 2.98Å; W13-R108 CarbonylContact O-C 3.55Å; W13-R108 VanDerWaalsContact O-CA 3.29Å; W13-R108 WeakPolarHBondContact O-CA 3.25Å; Y14-R108 HydrophobicContact CD1-CB 3.88Å; Y14-R108 HydrophobicContact CD1-CG 4.19Å; Y14-R108 HydrophobicContact CE1-CB 3.62Å; Y14-R108 HydrophobicContact CE1-CG 3.62Å; Y14-R108 HydrophobicContact CE2-CG 4.08Å; Y14-R108 WeakPolarHBondContact OH-CD 3.43Å; Y14-R108 PolarHBondContact OH-NE 3.41Å; Y14-R108 VanDerWaalsContact OH-NE 3.15Å; M88-R108 CarbonylContact C-O 3.53Å; M88-R108 VanDerWaalsContact CA-O 3.26Å; M88-R108 WeakPolarHBondContact CA-O 3.29Å; H89-R108 HydrophobicContact CB-CB 4.33Å; H89-R108 PolarHBondContact N-O 2.84Å; H89-R108 PolarHBondContact O-N 3.37Å; F91-R108 HydrophobicContact CE2-CB 4.06Å; R108-F110 HydrophobicContact CG-CD1 4.24Å
109V94.6Very high72.2Confident16 Ų1695.8 Ų95.810%0.09748%0.484CS..EExtended strand (participates in β ladder)trans-115.8131.8177.41780000110.4E12 W13 F15 W38 W86 V87 M88E12-V109 WeakPolarHBondContact CA-O 3.26Å; W13-V109 PolarHBondContact N-O 3.33Å; W13-V109 PolarHBondContact O-N 2.74Å; F15-V109 HydrophobicContact CE1-CB 4.4Å; F15-V109 HydrophobicContact CE1-CG2 3.52Å; F15-V109 HydrophobicContact CZ-CG2 4.06Å; W38-V109 HydrophobicContact CH2-CG1 4Å; W38-V109 HydrophobicContact CH2-CG2 4.45Å; W86-V109 HydrophobicContact CE3-CG1 3.93Å; W86-V109 HydrophobicContact CZ3-CG1 4.24Å; V87-V109 WeakPolarHBondContact O-CA 3.26Å; M88-V109 HydrophobicContact CB-CG2 3.99Å; M88-V109 HydrophobicContact CE-CG2 3.47Å; M88-V109 VanDerWaalsContact CE-CG2 3.47Å; M88-V109 HydrophobicContact CG-CG2 3.83Å; M88-V109 HydrophobicContact SD-CG2 4.45Å
110F94.1Very high71.2Confident37 Ų37101.8 Ų101.816%0.16249%0.494CS..EExtended strand (participates in β ladder)trans-148.9156.7-178.762.3-82000111.7N11 E12 V87 H89 R108N11-F110 WeakPolarHBondContact O-CA 3.09Å; N11-F110 WeakPolarHBondContact O-CB 3.31Å; E12-F110 HydrophobicContact CB-CB 4.27Å; E12-F110 HydrophobicContact CG-CB 3.79Å; V87-F110 HydrophobicContact CB-CD1 4.38Å; V87-F110 HydrophobicContact CB-CD2 4.38Å; V87-F110 HydrophobicContact CB-CE1 3.85Å; V87-F110 HydrophobicContact CB-CE2 3.86Å; V87-F110 HydrophobicContact CB-CZ 3.57Å; V87-F110 HydrophobicContact CG1-CE1 3.7Å; V87-F110 HydrophobicContact CG1-CE2 4.23Å; V87-F110 HydrophobicContact CG1-CZ 3.47Å; V87-F110 VanDerWaalsContact CG1-CZ 3.47Å; V87-F110 HydrophobicContact CG2-CE2 4.3Å; V87-F110 HydrophobicContact CG2-CZ 4.34Å; V87-F110 PolarHBondContact N-O 3.08Å; V87-F110 PolarHBondContact O-N 2.98Å; H89-F110 AromaticContact CE1-CE1 3.57Å; H89-F110 AromaticContact CE1-CZ 3.7Å; H89-F110 AromaticContact ND1-CE1 3.69Å; R108-F110 HydrophobicContact CG-CD1 4.24Å
111Y92.6Very high70.2Confident111 Ų111101.7 Ų101.744%0.43550%0.499SS..EExtended strand (participates in β ladder)trans-99.2118.2175.8-172.8-98.4000110.1W86 K113W86-Y111 AromaticContact CD1-CD2 3.93Å; W86-Y111 AromaticContact CD2-CD2 3.75Å; W86-Y111 HydrophobicContact CD2-CD2 3.75Å; W86-Y111 AromaticContact CE2-CD2 3.56Å; W86-Y111 HydrophobicContact CE3-CD2 4.34Å; W86-Y111 AromaticContact CG-CD2 3.99Å; W86-Y111 HydrophobicContact CG-CD2 3.99Å; W86-Y111 AromaticContact CZ2-CD2 4Å; W86-Y111 HydrophobicContact CZ2-CD2 4Å; W86-Y111 AromaticContact NE1-CD2 3.66Å; W86-Y111 AromaticContact NE1-CE2 3.95Å; Y111-K113 PolarHBondContact O-N 3.04Å
112K90Very high68.8Low134 Ų13499.2 Ų99.258%0.58350%0.496SS*.  trans-73.7113.6173-178.3-179.5164.7-178.10108.8S85 K114S85-K112 WeakPolarHBondContact CB-O 3.4Å; S85-K112 WeakPolarHBondContact O-CB 3.36Å; S85-K112 PolarHBondContact O-N 3.32Å; K112-K114 PolarHBondContact O-N 3.32Å
113K83.7Confident67.4Low164 Ų16498 Ų9871%0.71350%0.5SS*.  trans-62.8129.4167.3-67.2-176-179.8-178.60108.1Y111 A115Y111-K113 PolarHBondContact O-N 3.04Å; K113-A115 PolarHBondContact O-N 3.05Å; K113-A115 VanDerWaalsContact O-N 3.14Å
114K69.4Low65.4Low140 Ų140101 Ų10161%0.60952%0.524SS*.  trans-75.1101.5-179-144.2175-168.9-172.80107.1K112 D116 A117K112-K114 PolarHBondContact O-N 3.32Å; K114-D116 PolarHBondContact O-N 3.32Å; K114-A117 HydrophobicContact CD-CB 3.74Å; K114-A117 VanDerWaalsContact CE-CA 3.45Å
115A54Low63Low87 Ų87103.5 Ų103.572%0.71955%0.545SS*.SBendtrans-76.3103.7145.700000104.2K113K113-A115 PolarHBondContact O-N 3.05Å; K113-A115 VanDerWaalsContact O-N 3.14Å
116D40Very low60.5Low148 Ų148111.6 Ų111.679%0.79158%0.582SS**  trans57.6115.4168.9-49.8-38.1000119.5K114 M118K114-D116 PolarHBondContact O-N 3.32Å; D116-M118 VanDerWaalsContact C-N 3.3Å; D116-M118 PolarHBondContact O-N 3.12Å; D116-M118 VanDerWaalsContact O-N 3.1Å
117A36.3Very low57.7Low65 Ų65115.6 Ų115.654%0.53760%0.604SS.*  trans-77.866.9171.900000111.9K114K114-A117 HydrophobicContact CD-CB 3.74Å; K114-A117 VanDerWaalsContact CE-CA 3.45Å
118M40.2Very low54.9Low180 Ų180120.1 Ų120.189%0.88764%0.641SS**  trans-15586.2171.7-110.8170.6148.300109.7D116D116-M118 VanDerWaalsContact C-N 3.3Å; D116-M118 PolarHBondContact O-N 3.12Å; D116-M118 VanDerWaalsContact O-N 3.1Å
119D38.2Very low52.2Low154 Ų154125.3 Ų125.382%0.82467%0.672SS**  trans-156.495137.7-146.88.8000108.7
120Y37.9Very low49.4Very low239 Ų239128.6 Ų128.694%0.93770%0.7SS**  trans-131.873.8172.8-152.6-74.6000105.9
121A36.8Very low46.6Very low71 Ų71133.7 Ų133.759%0.58774%0.735SS**  trans-167.1120.6165.600000106
122D34Very low43.8Very low160 Ų160136.5 Ų136.586%0.85675%0.751SS**  91.2132.6117.3-157.444.6000110.4
123C34.9Very low41.4Very low97 Ų97137.9 Ų137.966%0.65576%0.762SS**  cis-153.2155.115179.50000107.1
124S38.5Very low39.6Very low99 Ų99135.5 Ų135.569%0.69276%0.763SS**  trans-67.5139.6163.244.50000112.2
125D35.2Very low38.3Very low153 Ų153140.7 Ų140.782%0.81878%0.779SS**  trans63.8151.8164.4-92.8-28.2000118.5
126Q39.2Very low37.6Very low172 Ų172140.2 Ų140.280%0.80478%0.782SS**  trans87.8121.3-176.6-53.4168.335.500111.8
127D33.2Very low37.9Very low140 Ų140138.7 Ų138.775%0.74978%0.783SS**  cis-155.3154.623.5-87.3-47.3000111.7I129D127-I129 PolarHBondContact O-N 3.38Å
128A34.6Very low38.3Very low95 Ų95140.2 Ų140.279%0.78580%0.796SS**  trans-60122.1165.300000110.6A130A128-A130 PolarHBondContact O-N 3.09Å; A128-A130 VanDerWaalsContact O-N 3.1Å
129I38.6Very low38.6Very low170 Ų170138.5 Ų138.587%0.87279%0.79SS**  trans-80.493.5164.1-51.7179.5000106.9D127 V131D127-I129 PolarHBondContact O-N 3.38Å; I129-V131 PolarHBondContact O-N 3.02Å
130A35.9Very low38.8Very low84 Ų84136.2 Ų136.269%0.69478%0.784SS**  trans-62.3127.7165.400000109.4A128 H132A128-A130 PolarHBondContact O-N 3.09Å; A128-A130 VanDerWaalsContact O-N 3.1Å; A130-H132 PolarHBondContact O-N 3.24Å; A130-H132 VanDerWaalsContact O-N 3.14Å
131V35.2Very low39.3Very low145 Ų145136.3 Ų136.388%0.87978%0.783SS**  trans-63.8105.9165.3-86.80000109.1I129I129-V131 PolarHBondContact O-N 3.02Å
132H34.3Very low39.5Very low170 Ų170136.5 Ų136.579%0.78779%0.791SS**  trans-102.7106.6164.5-16976.4000108.9A130A130-H132 PolarHBondContact O-N 3.24Å; A130-H132 VanDerWaalsContact O-N 3.14Å
133M38.3Very low40.1Very low163 Ų163133.6 Ų133.680%0.80379%0.789SS**  trans-79.1128.4166.3-68.8-162.7176.200108.9R135M133-R135 PolarHBondContact O-N 3.2Å
134P47.2Very low40.6Very low114 Ų114133.5 Ų133.574%0.7480%0.796SS**  trans-72.5121.4173.128.1-29.9000109.4G136P134-G136 PolarHBondContact O-N 2.84Å
135R41Very low41.1Very low249 Ų249136.2 Ų136.294%0.9481%0.808SS**  trans-77.695.3159.6-78.4-176.9171.5168.1-2.2107.6M133M133-R135 PolarHBondContact O-N 3.2Å
136G39.8Very low41.8Very low77 Ų77133.6 Ų133.679%0.79481%0.807SS**  trans-79.4118.5170.400000110.7P134P134-G136 PolarHBondContact O-N 2.84Å
137S46.1Very low42.3Very low116 Ų116129.8 Ų129.881%0.81181%0.805SS**  trans-73.1154.6-179.149.10000114.2
138A44.7Very low43.2Very low96 Ų96129.2 Ų129.279%0.79381%0.812SS**  trans-26.7140.1172.800000119
139D46.1Very low43.9Very low144 Ų144127.9 Ų127.977%0.7781%0.808SS**  trans-113.6121.6155-168.92.2000109
140P44.4Very low44.6Very low107 Ų107132.2 Ų132.270%0.69581%0.813SS**  trans-12289.6173.435.8-20.2000111.2
141R48Very low45.4Very low241 Ų241132.3 Ų132.391%0.90982%0.822SS**  trans-151.4129.6166.9-63.3-171.8-169.6-174.83.9113
142G40Very low46.4Very low75 Ų75129.1 Ų129.177%0.77382%0.818SS**  trans129.373.5164.100000113.3
143A47.5Very low47.6Very low98 Ų98132.7 Ų132.781%0.8183%0.825SS**  60.892.1101.400000113
144A45.2Very low48.7Very low96 Ų96137.8 Ų137.879%0.79385%0.847SS**  71.8119.293.700000114.4
145V48.7Very low48.8Very low156 Ų156139 Ų13995%0.94585%0.852SS**  -171.3151.8121.5149.50000109.9
146A49.7Very low49.2Very low98 Ų98133.2 Ų133.281%0.8185%0.848SS**  trans-75.3171.9-153.800000117.7
147A48.9Very low49.7Very low91 Ų91136.3 Ų136.375%0.75285%0.851SS**  trans-81.8-176-176.600000115.1
148S52.9Low49.9Very low128 Ų128137.5 Ų137.590%0.89585%0.853SS**  trans87.4136.3172.180.10000114.5
149G50Low50.2Low68 Ų68140.1 Ų140.170%0.70186%0.857SS**  cis162.1149.22.200000108.8
150R52.6Low50.5Low261 Ų261139.8 Ų139.899%0.98586%0.862SS**  trans66.1130.8156.8-78.4-176.8167.3-157.7-2.7122
151G52.3Low51Low85 Ų85142.1 Ų142.188%0.87687%0.874SS**  trans89.8137.7141.700000114.4
152G56Low51.2Low78 Ų78134.5 Ų134.580%0.80487%0.872SS**  cis175.31576.800000108.5
153R59.3Low52.1Low245 Ų245139.5 Ų139.593%0.92588%0.88SS**  trans-4.2132.1165-73.8174.9166.9-151-3.9118.9
154Q62.4Low52.5Low270 Ų270143.3 Ų143.3100%1.26289%0.886SS**  -145.9097.9-100.7179.812.900109.2

Retrieved 154 of 154 residues in 87.5 ms (Link to these results)

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