B9ENY6_SALSA Loading...

Nucleoplasmin-like protein NO29

AlphaFold DB , UniProt , Accession B9ENY6, Species SALSA (Salmo salar, Atlantic salmon), Gene NO29, Length 160 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
1M44.8Very low38.1Very low242 Ų242146.9 Ų146.9100%1.19284%0.837SS**  0102.20-79.3175.5167.700107.8
2S36.2Very low38.6Very low115 Ų115144.2 Ų144.280%0.80483%0.834SS**  trans-163.5100.1167.2430000106
3H37.9Very low38.8Very low184 Ų184145.8 Ų145.885%0.85283%0.83SS**  trans-68.6136.7168.2-70.9-95.4000108.5
4S38.2Very low38.9Very low117 Ų117146.1 Ų146.182%0.81883%0.828SS**  trans-133.5111.8159.451.50000107.6
5H41.6Very low39.5Very low172 Ų172147.4 Ų147.480%0.79682%0.823SS**  trans-58.4141.7164.3-79.658.9000109.6
6G33.9Very low39.4Very low74 Ų74141.2 Ų141.276%0.76380%0.803SS**  trans-15486.3164.700000106.8
7E41.4Very low39.9Very low179 Ų179139.7 Ų139.784%0.83680%0.803SS**  trans-78.7122157-68171.313100105.7
8D40.7Very low40.6Very low171 Ų171139.2 Ų139.291%0.91480%0.803SS**  trans-141.8135.5156.2-86-46.6000108.5
9D37Very low41.3Very low150 Ų150134.6 Ų134.680%0.80279%0.789SS**  trans-77.1162.3-161.1-141.7-44.9000114
10C35.3Very low41.9Very low108 Ų108136.3 Ų136.373%0.7379%0.788SS**  trans66.7136.3158.8-108.80000118.9
11C31.9Very low43Very low104 Ų104133.6 Ų133.670%0.70378%0.777SS**  cis-138.2127.422.5-61.20000110.1E13C11-E13 PolarHBondContact O-N 2.83Å; C11-E13 VanDerWaalsContact O-N 3.13Å
12S44.4Very low44.7Very low114 Ų114128.7 Ų128.780%0.79775%0.746SS**  trans-62.5108.2155.7440000107.7D14S12-D14 VanDerWaalsContact C-N 3.31Å; S12-D14 PolarHBondContact O-N 3.04Å
13E41.5Very low47.3Very low166 Ų166128 Ų12878%0.77673%0.733SS**  trans-64.7100.5164.2-71.2178.314100106.8C11 H15C11-E13 PolarHBondContact O-N 2.83Å; C11-E13 VanDerWaalsContact O-N 3.13Å; E13-H15 PolarHBondContact O-N 3.14Å
14D40.3Very low49.9Very low150 Ų150121.8 Ų121.880%0.80270%0.704SS**  trans-6090.9166.7-165.626.6000106.4S12 G16S12-D14 VanDerWaalsContact C-N 3.31Å; S12-D14 PolarHBondContact O-N 3.04Å; D14-G16 PolarHBondContact O-N 3.24Å
15H46.6Very low52.7Low165 Ų165119.9 Ų119.976%0.76469%0.691SS**  trans-64.789.9162.8-83.3-64.1000105.5E13 S17E13-H15 PolarHBondContact O-N 3.14Å; H15-S17 PolarHBondContact O-N 2.77Å
16G38.3Very low55.3Low48 Ų48117.1 Ų117.150%0.49567%0.674SS.*  trans-41.9130.2177.100000109.1D14 V18D14-G16 PolarHBondContact O-N 3.24Å; G16-V18 VanDerWaalsContact C-N 3.31Å; G16-V18 PolarHBondContact O-N 2.84Å
17S49Very low58.4Low116 Ų116119.9 Ų119.981%0.81168%0.676SS**  trans-43.899.4169.2163.60000108.4H15 G19H15-S17 PolarHBondContact O-N 2.77Å; S17-G19 PolarHBondContact O-N 3.35Å
18V51.2Low61.1Low131 Ų131112 Ų11279%0.79464%0.639SS**  trans-59.2110.1166.5175.70000103.9G16 Q20G16-V18 VanDerWaalsContact C-N 3.31Å; G16-V18 PolarHBondContact O-N 2.84Å; V18-Q20 PolarHBondContact O-N 3.47Å
19G53.6Low63.8Low52 Ų52107.2 Ų107.254%0.53662%0.619SS.*  trans-46.5119.8178.200000108.2S17 S21S17-G19 PolarHBondContact O-N 3.35Å; G19-S21 PolarHBondContact O-N 3.17Å
20Q54.1Low66.8Low167 Ų167100.6 Ų100.678%0.7858%0.584SS**  trans-65.3110.7178.7-75.1-177.6-25.600107.1V18 R22 N132V18-Q20 PolarHBondContact O-N 3.47Å; Q20-R22 PolarHBondContact O-N 3.41Å; Q20-N132 PolarHBondContact O-ND2 2.75Å
21S65.2Low69.8Low80 Ų80101 Ų10156%0.55958%0.576SS**  trans-59.3124168.953.90000108.4G19G19-S21 PolarHBondContact O-N 3.17Å
22R81.4Confident73Confident139 Ų13996.1 Ų96.153%0.52554%0.542SS..EExtended strand (participates in β ladder)trans-79.2128.9173.6-173.9168.595.3-159.24.3107.9Q20 E24 S130Q20-R22 PolarHBondContact O-N 3.41Å; R22-E24 IonicContact CZ-OE1 3.16Å; R22-E24 IonicContact NE-OE1 2.91Å; R22-E24 PolarHBondContact NE-OE1 3.36Å; R22-E24 IonicContact NH2-OE1 2.63Å; R22-E24 PolarHBondContact NH2-OE1 3.43Å; R22-S130 PolarHBondContact N-O 2.91Å; R22-S130 PolarHBondContact O-N 3.46Å; R22-S130 PolarHBondContact O-OG 2.84Å
23L89.1Confident75.5Confident101 Ų10191.6 Ų91.653%0.52951%0.511SS..EExtended strand (participates in β ladder)trans-112.2117.1174.3-16869.1000108.6L127 I128 A129L23-L127 HydrophobicContact CD1-CB 3.99Å; L23-L127 HydrophobicContact CD2-CD1 4.42Å; L23-L127 HydrophobicContact CG-CB 4.4Å; L23-I128 WeakPolarHBondContact CA-O 3.4Å; L23-I128 WeakPolarHBondContact CD1-O 3.45Å; L23-A129 HydrophobicContact CD1-CB 4.03Å
24E93.9Very high78.2Confident53 Ų5387.5 Ų87.525%0.24850%0.501CS..EExtended strand (participates in β ladder)trans-96.3139.7173.6-66.3179-17000109.7R22 Y26 L127 I128R22-E24 IonicContact CZ-OE1 3.16Å; R22-E24 IonicContact NE-OE1 2.91Å; R22-E24 PolarHBondContact NE-OE1 3.36Å; R22-E24 IonicContact NH2-OE1 2.63Å; R22-E24 PolarHBondContact NH2-OE1 3.43Å; E24-Y26 HydrophobicContact CB-CE2 3.85Å; E24-Y26 PolarHBondContact OE2-OH 2.87Å; E24-L127 CarbonylContact O-C 3.03Å; E24-L127 VanDerWaalsContact O-CA 3.29Å; E24-L127 WeakPolarHBondContact O-CA 3.46Å; E24-I128 HydrophobicContact CB-CB 4.47Å; E24-I128 PolarHBondContact N-O 2.88Å; E24-I128 PolarHBondContact O-N 3Å
25S96.2Very high80.9Confident78 Ų7889.2 Ų89.255%0.54550%0.501SS..EExtended strand (participates in β ladder)trans-125.3127.8-177.269.10000111.5H126S25-H126 WeakPolarHBondContact CA-O 3.29Å
26Y97Very high83.4Confident113 Ų11385.4 Ų85.444%0.44349%0.489SS..EExtended strand (participates in β ladder)trans-121.8151.4177.5-57.8-88000110.4E24 F28 L125 H126 I128E24-Y26 HydrophobicContact CB-CE2 3.85Å; E24-Y26 PolarHBondContact OE2-OH 2.87Å; Y26-F28 PolarHBondContact O-N 2.92Å; Y26-L125 CarbonylContact O-C 3.58Å; Y26-L125 VanDerWaalsContact O-CA 3.23Å; Y26-L125 WeakPolarHBondContact O-CA 3.45Å; Y26-H126 PolarHBondContact N-O 3.18Å; Y26-H126 PolarHBondContact O-N 2.82Å; Y26-I128 HydrophobicContact CD2-CD1 4.28Å; Y26-I128 HydrophobicContact CE2-CD1 3.77Å; Y26-I128 HydrophobicContact CE2-CG1 4.29Å
27V98.2Very high86.2Confident132 Ų13285.4 Ų85.480%0.848%0.48SS*.EExtended strand (participates in β ladder)trans-72.9130.5176.6176.20000109.7
28F98.4Very high88.6Confident13 Ų1385.6 Ų85.66%0.05747%0.467CS..EExtended strand (participates in β ladder)trans-113.8140172.5173-94.9000111.1Y26 C30 Y39 F41 L53 L55 I111 S123 G124 H126Y26-F28 PolarHBondContact O-N 2.92Å; F28-C30 HydrophobicContact CZ-CB 4.04Å; F28-Y39 HydrophobicContact CE2-CD1 4.18Å; F28-Y39 AromaticContact CE2-CE1 3.48Å; F28-Y39 HydrophobicContact CE2-CE1 3.48Å; F28-Y39 VanDerWaalsContact CE2-CE1 3.48Å; F28-Y39 AromaticContact CE2-CZ 3.98Å; F28-Y39 AromaticContact CZ-CD1 3.89Å; F28-Y39 HydrophobicContact CZ-CD1 3.89Å; F28-Y39 AromaticContact CZ-CE1 3.68Å; F28-Y39 HydrophobicContact CZ-CE1 3.68Å; F28-F41 HydrophobicContact CD2-CD2 4.36Å; F28-F41 HydrophobicContact CE2-CD2 4.21Å; F28-L53 HydrophobicContact CB-CD1 4Å; F28-L53 HydrophobicContact CD1-CD1 3.58Å; F28-L53 HydrophobicContact CD2-CD1 3.75Å; F28-L53 HydrophobicContact CE1-CD1 3.93Å; F28-L53 HydrophobicContact CE1-CD2 4.26Å; F28-L53 HydrophobicContact CE2-CD1 4.09Å; F28-L53 HydrophobicContact CG-CD1 3.47Å; F28-L53 VanDerWaalsContact CG-CD1 3.47Å; F28-L53 HydrophobicContact CZ-CD1 4.18Å; F28-L53 HydrophobicContact CZ-CD2 4.3Å; F28-L55 HydrophobicContact CE1-CD2 4.32Å; F28-I111 HydrophobicContact CE1-CD1 3.96Å; F28-I111 HydrophobicContact CZ-CD1 4.12Å; F28-S123 WeakPolarHBondContact O-CA 3.47Å; F28-G124 PolarHBondContact N-O 3.28Å; F28-G124 PolarHBondContact O-N 3.32Å; F28-H126 HydrophobicContact CB-CB 4.47Å
29S98.3Very high90.8Very high72 Ų7284 Ų8450%0.50345%0.447SS..EExtended strand (participates in β ladder)trans-155142.8167.9-176.90000111.1T121 V122S29-T121 WeakPolarHBondContact OG-CG2 3.48Å; S29-V122 CarbonylContact C-O 3.54Å; S29-V122 VanDerWaalsContact CA-O 3.29Å; S29-V122 WeakPolarHBondContact CA-O 3.44Å
30C98.3Very high93Very high11 Ų1183.9 Ų83.97%0.07444%0.436CS..EExtended strand (participates in β ladder)trans-136152.7167.170.20000111F28 Y39 T121 V122F28-C30 HydrophobicContact CZ-CB 4.04Å; C30-Y39 HydrophobicContact CB-CD1 4.14Å; C30-Y39 HydrophobicContact CB-CD2 4.04Å; C30-Y39 HydrophobicContact CB-CG 3.78Å; C30-T121 WeakPolarHBondContact O-CA 3.23Å; C30-V122 PolarHBondContact N-O 3.03Å; C30-V122 PolarHBondContact O-N 2.95Å
31E98.6Very high95.1Very high117 Ų11776.4 Ų76.455%0.54740%0.401SS..EExtended strand (participates in β ladder)trans-109.3135.4171.1-173.6-176.3105.700110P119 V120E31-P119 HydrophobicContact CG-CB 3.94Å; E31-V120 CarbonylContact C-O 3.6Å; E31-V120 WeakPolarHBondContact CA-O 3.45Å
32L98.8Very high96.4Very high0 Ų078.5 Ų78.50%040%0.402CS..EExtended strand (participates in β ladder)trans-116136.8177-53.5172.9000109.8V36 V71 I111 L113 P119 V120 V122L32-V36 WeakPolarHBondContact CA-O 3.43Å; L32-V71 HydrophobicContact CD1-CG1 4.32Å; L32-I111 HydrophobicContact CD1-CB 4.45Å; L32-I111 HydrophobicContact CD1-CG2 3.73Å; L32-L113 HydrophobicContact CB-CB 3.92Å; L32-L113 HydrophobicContact CD1-CB 4.45Å; L32-P119 CarbonylContact O-C 3.6Å; L32-P119 WeakPolarHBondContact O-CA 3.44Å; L32-V120 PolarHBondContact N-O 2.76Å; L32-V120 PolarHBondContact O-N 3.25Å; L32-V122 HydrophobicContact CD1-CG2 4.27Å
33S98.5Very high96.6Very high19 Ų1973 Ų7313%0.13339%0.388CS..  trans-148.6175.1176.666.50000110.7K35 V36 P37 T117S33-K35 PolarHBondContact O-N 2.84Å; S33-K35 VanDerWaalsContact O-N 3.1Å; S33-K35 PolarHBondContact OG-N 2.82Å; S33-V36 PolarHBondContact N-O 2.88Å; S33-V36 CarbonylContact O-C 3.55Å; S33-V36 PolarHBondContact O-N 2.89Å; S33-V36 VanDerWaalsContact O-O 3.06Å; S33-V36 PolarHBondContact OG-N 2.78Å; S33-P37 WeakPolarHBondContact O-CA 3.4Å; S33-P37 VanDerWaalsContact O-N 3.11Å; S33-T117 CarbonylContact C-O 3.58Å; S33-T117 WeakPolarHBondContact CA-O 3.45Å
34S97.4Very high96.2Very high81 Ų8171.8 Ų71.857%0.56638%0.382SS*.SBendtrans-60.6-20.7173.166.80000113.7T117S34-T117 PolarHBondContact N-O 2.95Å
35K97.6Very high95.3Very high186 Ų18677.5 Ų77.581%0.80941%0.409SS*.SBendtrans-85.2-37.3177.1-63.5178.7-176.8173.40111.9S33S33-K35 PolarHBondContact O-N 2.84Å; S33-K35 VanDerWaalsContact O-N 3.1Å; S33-K35 PolarHBondContact OG-N 2.82Å
36V98.2Very high94.1Very high85 Ų8582.5 Ų82.552%0.51542%0.424SS..SBendtrans-12881.9178.3-173.70000107.4L32 S33 F38L32-V36 WeakPolarHBondContact CA-O 3.43Å; S33-V36 PolarHBondContact N-O 2.88Å; S33-V36 CarbonylContact O-C 3.55Å; S33-V36 PolarHBondContact O-N 2.89Å; S33-V36 VanDerWaalsContact O-O 3.06Å; S33-V36 PolarHBondContact OG-N 2.78Å; V36-F38 VanDerWaalsContact C-N 3.32Å; V36-F38 PolarHBondContact O-N 2.99Å
37P98.3Very high93Very high48 Ų4882 Ų8231%0.31243%0.426SS..  trans-83.5-6.8-167.430.3-33000113.7S33 R112 L113S33-P37 WeakPolarHBondContact O-CA 3.4Å; S33-P37 VanDerWaalsContact O-N 3.11Å; P37-R112 CarbonylContact O-C 3.57Å; P37-R112 VanDerWaalsContact O-CA 3.31Å; P37-R112 WeakPolarHBondContact O-CA 3.44Å; P37-R112 WeakPolarHBondContact O-CG 3.44Å; P37-L113 PolarHBondContact O-N 3.48Å
38F98.3Very high92.3Very high119 Ų11984.2 Ų84.252%0.52243%0.433SS..EExtended strand (participates in β ladder)trans-146.2155.3177.764.8-91.6000111.9V36 T110 I111 R112V36-F38 VanDerWaalsContact C-N 3.32Å; V36-F38 PolarHBondContact O-N 2.99Å; F38-T110 HydrophobicContact CB-CG2 4.26Å; F38-I111 CarbonylContact C-O 3.51Å; F38-I111 WeakPolarHBondContact CA-O 3.43Å; F38-I111 WeakPolarHBondContact CB-O 3.41Å; F38-R112 HydrophobicContact CB-CB 4.18Å; F38-R112 HydrophobicContact CB-CG 4.32Å
39Y98.6Very high91.9Very high97 Ų9786.5 Ų86.538%0.3845%0.446SS..EExtended strand (participates in β ladder)trans-132.5136.4169.7179.1-87000108.1F28 C30 F41 T110 I111F28-Y39 HydrophobicContact CE2-CD1 4.18Å; F28-Y39 AromaticContact CE2-CE1 3.48Å; F28-Y39 HydrophobicContact CE2-CE1 3.48Å; F28-Y39 VanDerWaalsContact CE2-CE1 3.48Å; F28-Y39 AromaticContact CE2-CZ 3.98Å; F28-Y39 AromaticContact CZ-CD1 3.89Å; F28-Y39 HydrophobicContact CZ-CD1 3.89Å; F28-Y39 AromaticContact CZ-CE1 3.68Å; F28-Y39 HydrophobicContact CZ-CE1 3.68Å; C30-Y39 HydrophobicContact CB-CD1 4.14Å; C30-Y39 HydrophobicContact CB-CD2 4.04Å; C30-Y39 HydrophobicContact CB-CG 3.78Å; Y39-F41 HydrophobicContact CE1-CB 4.05Å; Y39-T110 CarbonylContact O-C 3.5Å; Y39-T110 WeakPolarHBondContact O-CA 3.39Å; Y39-I111 PolarHBondContact N-O 2.81Å; Y39-I111 PolarHBondContact O-N 2.92Å
40T98.2Very high91.6Very high51 Ų5187.4 Ų87.431%0.31344%0.442SS..EExtended strand (participates in β ladder)trans-114.5119.3174.5-58.80000109.2Q42 V109 T110T40-Q42 HydrophobicContact CG2-CG 3.95Å; T40-V109 CarbonylContact C-O 3.57Å; T40-V109 WeakPolarHBondContact CA-O 3.38Å; T40-T110 WeakPolarHBondContact CG2-OG1 3.29Å; T40-T110 WeakPolarHBondContact OG1-CG2 3.4Å; T40-T110 PolarHBondContact OG1-OG1 2.83Å
41F97.8Very high91.4Very high10 Ų1087.6 Ų87.64%0.04444%0.441CS..EExtended strand (participates in β ladder)trans-85126.5169.1179-101.2000109.1F28 Y39 H51 L53 A107 P108 V109 H126F28-F41 HydrophobicContact CD2-CD2 4.36Å; F28-F41 HydrophobicContact CE2-CD2 4.21Å; Y39-F41 HydrophobicContact CE1-CB 4.05Å; F41-H51 HydrophobicContact CE1-CB 4.29Å; F41-H51 HydrophobicContact CZ-CB 4.44Å; F41-L53 HydrophobicContact CB-CD2 3.79Å; F41-L53 HydrophobicContact CD1-CB 3.83Å; F41-L53 HydrophobicContact CD1-CD1 4.35Å; F41-L53 HydrophobicContact CD1-CD2 4.19Å; F41-L53 HydrophobicContact CD1-CG 4.36Å; F41-L53 HydrophobicContact CD2-CD1 4.16Å; F41-L53 HydrophobicContact CE1-CB 4.05Å; F41-L53 HydrophobicContact CE2-CD1 4.4Å; F41-L53 HydrophobicContact CG-CB 4.37Å; F41-L53 HydrophobicContact CG-CD1 4.14Å; F41-L53 HydrophobicContact CG-CD2 3.99Å; F41-L53 HydrophobicContact CG-CG 4.41Å; F41-A107 HydrophobicContact CD1-CB 4.05Å; F41-A107 HydrophobicContact CE1-CB 3.93Å; F41-P108 WeakPolarHBondContact O-CA 2.99Å; F41-V109 PolarHBondContact N-O 2.95Å; F41-V109 PolarHBondContact O-N 2.86Å; F41-H126 HydrophobicContact CE2-CB 4.25Å; F41-H126 AromaticContact CE2-CG 3.86Å; F41-H126 HydrophobicContact CZ-CB 4.29Å; F41-H126 AromaticContact CZ-CD2 3.46Å; F41-H126 VanDerWaalsContact CZ-CD2 3.46Å; F41-H126 WeakPolarHBondContact CZ-CD2 3.46Å; F41-H126 AromaticContact CZ-CG 3.68Å; F41-H126 AromaticContact CZ-NE2 3.79Å
42Q94Very high91.3Very high123 Ų12383.7 Ų83.758%0.57542%0.423SS*.  trans-123.6145.2173.4-59.5-163.9-3.800108.2T40 P108T40-Q42 HydrophobicContact CG2-CG 3.95Å; Q42-P108 HydrophobicContact CG-CB 4.44Å
43G84.8Confident91.3Very high23 Ų2383.7 Ų83.724%0.23742%0.423CS..  trans-71.6169.116800000110.6H51G43-H51 VanDerWaalsContact CA-CG 3.49Å
44D81.6Confident91.3Very high76 Ų7683.4 Ų83.441%0.40642%0.419SS..  trans-70.8136.5168-155.2-35.9000108.7E46 H51D44-E46 WeakPolarHBondContact OD1-CB 3.33Å; D44-E46 PolarHBondContact OD1-N 2.98Å; D44-H51 PolarHBondContact N-CE1 2.71Å; D44-H51 PolarHBondContact N-NE2 3.44Å
45E73.8Confident91.3Very high174 Ų17479.6 Ų79.681%0.81339%0.393SS*.SBendtrans-90.5-14.3176.3-64.4-174.9171.700111.5
46E71.9Confident91.4Very high183 Ų18375.7 Ų75.786%0.85537%0.373SS*.SBendtrans-84.7-24-178.1-60.4-171.7-177.600112.6D44D44-E46 WeakPolarHBondContact OD1-CB 3.33Å; D44-E46 PolarHBondContact OD1-N 2.98Å
47E73.3Confident91.4Very high103 Ų10373.4 Ų73.448%0.48136%0.359SS..SBendtrans-104.3123.8177.1-60.5-175.4173.400108.7L49E47-L49 HydrophobicContact CB-CB 4.45Å; E47-L49 HydrophobicContact CB-CD1 4.12Å; E47-L49 HydrophobicContact CB-CG 4.04Å; E47-L49 PolarHBondContact O-N 3.38Å; E47-L49 WeakPolarHBondContact OE2-CD1 3.47Å
48D82.8Confident91.4Very high178 Ų17871.1 Ų71.195%0.95234%0.344SS*.  trans-71.347175.2-77.3-38.9000111.3
49L89.9Confident91.5Very high61 Ų6166.7 Ų66.732%0.31933%0.328SS..  trans-108152.2-178.1-61.8-178.8000111.1E47 H51 I128E47-L49 HydrophobicContact CB-CB 4.45Å; E47-L49 HydrophobicContact CB-CD1 4.12Å; E47-L49 HydrophobicContact CB-CG 4.04Å; E47-L49 PolarHBondContact O-N 3.38Å; E47-L49 WeakPolarHBondContact OE2-CD1 3.47Å; L49-H51 PolarHBondContact O-CD2 2.56Å; L49-I128 HydrophobicContact CB-CG2 3.97Å; L49-I128 HydrophobicContact CD1-CG2 3.69Å; L49-I128 HydrophobicContact CG-CG2 4.42Å
50E92.3Very high91.5Very high90 Ų9063.4 Ų63.442%0.42132%0.317SS..EExtended strand (participates in β ladder)trans-90.1121.1175.4-63.4-165.5115.100110.9F52 K106 A129E50-F52 HydrophobicContact CB-CD2 4.5Å; E50-F52 HydrophobicContact CB-CE2 3.59Å; E50-F52 HydrophobicContact CB-CZ 4.04Å; E50-K106 IonicContact OE1-NZ 2.66Å; E50-K106 PolarHBondContact OE1-NZ 2.97Å; E50-A129 HydrophobicContact CB-CB 4.33Å; E50-A129 PolarHBondContact N-O 2.75Å; E50-A129 PolarHBondContact O-N 3.41Å
51H95.3Very high91.4Very high15 Ų1562 Ų627%0.06931%0.312CS..EExtended strand (participates in β ladder)trans-102.4130.5177.3-68.2-117.9000111.2F41 G43 D44 L49 A107 H126F41-H51 HydrophobicContact CE1-CB 4.29Å; F41-H51 HydrophobicContact CZ-CB 4.44Å; G43-H51 VanDerWaalsContact CA-CG 3.49Å; D44-H51 PolarHBondContact N-CE1 2.71Å; D44-H51 PolarHBondContact N-NE2 3.44Å; L49-H51 PolarHBondContact O-CD2 2.56Å; H51-A107 HydrophobicContact CB-CB 4.12Å; H51-A107 WeakPolarHBondContact O-CB 3.43Å; H51-A107 PolarHBondContact O-N 3.13Å; H51-H126 AromaticContact CE1-NE2 3.74Å; H51-H126 AromaticContact CG-NE2 3.84Å; H51-H126 AromaticContact ND1-CE1 3.54Å; H51-H126 AromaticContact ND1-NE2 2.94Å; H51-H126 PolarHBondContact ND1-NE2 3.05Å
52F96.9Very high91.3Very high35 Ų3570.7 Ų70.715%0.15435%0.353CS..EExtended strand (participates in β ladder)trans-123148.1174.8-54.2-99.4000110.9E50 E104 L105 K106 L127 A129E50-F52 HydrophobicContact CB-CD2 4.5Å; E50-F52 HydrophobicContact CB-CE2 3.59Å; E50-F52 HydrophobicContact CB-CZ 4.04Å; F52-E104 HydrophobicContact CB-CG 3.89Å; F52-E104 HydrophobicContact CD1-CG 4.14Å; F52-E104 HydrophobicContact CG-CG 4.36Å; F52-L105 CarbonylContact C-O 3.54Å; F52-L105 WeakPolarHBondContact CA-O 3.37Å; F52-K106 HydrophobicContact CD1-CB 4.01Å; F52-K106 HydrophobicContact CD1-CG 4.45Å; F52-K106 HydrophobicContact CE1-CB 3.98Å; F52-K106 HydrophobicContact CE1-CD 4.39Å; F52-K106 HydrophobicContact CE1-CG 4.19Å; F52-L127 HydrophobicContact CB-CB 4.21Å; F52-L127 PolarHBondContact N-O 2.72Å; F52-L127 PolarHBondContact O-N 2.63Å; F52-A129 HydrophobicContact CE2-CB 4.15Å
53L97.9Very high91.4Very high0 Ų068 Ų680%036%0.359CS..EExtended strand (participates in β ladder)trans-115.6112174-171.766000108.9F28 F41 L55 L105 V109 I111F28-L53 HydrophobicContact CB-CD1 4Å; F28-L53 HydrophobicContact CD1-CD1 3.58Å; F28-L53 HydrophobicContact CD2-CD1 3.75Å; F28-L53 HydrophobicContact CE1-CD1 3.93Å; F28-L53 HydrophobicContact CE1-CD2 4.26Å; F28-L53 HydrophobicContact CE2-CD1 4.09Å; F28-L53 HydrophobicContact CG-CD1 3.47Å; F28-L53 VanDerWaalsContact CG-CD1 3.47Å; F28-L53 HydrophobicContact CZ-CD1 4.18Å; F28-L53 HydrophobicContact CZ-CD2 4.3Å; F41-L53 HydrophobicContact CB-CD2 3.79Å; F41-L53 HydrophobicContact CD1-CB 3.83Å; F41-L53 HydrophobicContact CD1-CD1 4.35Å; F41-L53 HydrophobicContact CD1-CD2 4.19Å; F41-L53 HydrophobicContact CD1-CG 4.36Å; F41-L53 HydrophobicContact CD2-CD1 4.16Å; F41-L53 HydrophobicContact CE1-CB 4.05Å; F41-L53 HydrophobicContact CE2-CD1 4.4Å; F41-L53 HydrophobicContact CG-CB 4.37Å; F41-L53 HydrophobicContact CG-CD1 4.14Å; F41-L53 HydrophobicContact CG-CD2 3.99Å; F41-L53 HydrophobicContact CG-CG 4.41Å; L53-L55 HydrophobicContact CD2-CD2 3.79Å; L53-L55 HydrophobicContact CG-CD2 3.81Å; L53-L105 PolarHBondContact N-O 2.62Å; L53-L105 PolarHBondContact O-N 2.87Å; L53-V109 HydrophobicContact CB-CG2 4.4Å; L53-V109 HydrophobicContact CD2-CB 4.09Å; L53-V109 HydrophobicContact CD2-CG1 4.08Å; L53-I111 HydrophobicContact CD2-CD1 4.15Å
54E98.2Very high92Very high14 Ų1467.5 Ų67.57%0.06535%0.352CS..EExtended strand (participates in β ladder)trans-96.9107.8175.8-173.4-164.9111.200109.4R56 E102 F103 G124 L125 L127E54-R56 IonicContact OE1-CZ 3.4Å; E54-R56 IonicContact OE1-NE 2.8Å; E54-R56 PolarHBondContact OE1-NE 2.86Å; E54-R56 IonicContact OE1-NH2 3.98Å; E54-R56 PolarHBondContact OE1-NH2 2.84Å; E54-R56 IonicContact OE2-NH2 3.17Å; E54-E102 HydrophobicContact CG-CB 4.27Å; E54-F103 CarbonylContact C-O 3.51Å; E54-F103 WeakPolarHBondContact CA-O 3.25Å; E54-G124 CarbonylContact O-C 3.53Å; E54-G124 WeakPolarHBondContact O-CA 3.41Å; E54-L125 HydrophobicContact CB-CB 4.26Å; E54-L125 PolarHBondContact N-O 3.34Å; E54-L125 PolarHBondContact O-N 3.46Å; E54-L127 HydrophobicContact CB-CD1 4.15Å
55L98.6Very high92.8Very high1 Ų170 Ų701%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-85.9126.1177.8-53.6-179.7000110.6F28 L53 V73 L100 G101 F103 I111 V122F28-L55 HydrophobicContact CE1-CD2 4.32Å; L53-L55 HydrophobicContact CD2-CD2 3.79Å; L53-L55 HydrophobicContact CG-CD2 3.81Å; L55-V73 HydrophobicContact CD1-CG2 3.75Å; L55-L100 HydrophobicContact CB-CD1 3.88Å; L55-G101 VanDerWaalsContact O-O 3.13Å; L55-F103 HydrophobicContact CB-CB 4.32Å; L55-F103 PolarHBondContact N-O 3.47Å; L55-F103 WeakPolarHBondContact O-CB 3.31Å; L55-F103 PolarHBondContact O-N 2.86Å; L55-I111 HydrophobicContact CD1-CD1 4.46Å; L55-I111 HydrophobicContact CD2-CD1 3.83Å; L55-V122 HydrophobicContact CD2-CG1 3.91Å
56R98.6Very high93.9Very high103 Ų10368.4 Ų68.439%0.38935%0.352SS..EExtended strand (participates in β ladder)trans-108.2-48.9-177.2-70.9-171.8173.1-160.8-9.4114.3E54 S99 L100 G101 S123 L125E54-R56 IonicContact OE1-CZ 3.4Å; E54-R56 IonicContact OE1-NE 2.8Å; E54-R56 PolarHBondContact OE1-NE 2.86Å; E54-R56 IonicContact OE1-NH2 3.98Å; E54-R56 PolarHBondContact OE1-NH2 2.84Å; E54-R56 IonicContact OE2-NH2 3.17Å; R56-S99 CarbonylContact O-C 3.58Å; R56-S99 WeakPolarHBondContact O-CA 3.44Å; R56-S99 PolarHBondContact O-OG 2.97Å; R56-L100 PolarHBondContact O-N 2.93Å; R56-G101 WeakPolarHBondContact CA-O 3.49Å; R56-S123 PolarHBondContact N-O 2.8Å; R56-L125 VanDerWaalsContact NH2-CD1 3.3Å
57T98.6Very high95.1Very high37 Ų3762.4 Ų62.423%0.22732%0.324CS..EExtended strand (participates in β ladder)trans-138.8148.1-176.671.20000112.4V98 V122 S123T57-V98 CarbonylContact C-O 3.59Å; T57-V98 WeakPolarHBondContact CA-O 3.42Å; T57-V122 WeakPolarHBondContact O-CA 3.5Å; T57-S123 PolarHBondContact N-O 3.02Å; T57-S123 VanDerWaalsContact N-O 3.1Å; T57-S123 PolarHBondContact O-N 2.9Å; T57-S123 PolarHBondContact OG1-OG 2.82Å
58V98.8Very high96.3Very high0 Ų060.1 Ų60.10%032%0.32CS..EExtended strand (participates in β ladder)trans-123.9126.2170.1-172.80000107.3V71 A88 L90 M97 V98 L100 V120 T121 V122V58-V71 HydrophobicContact CG1-CB 4.42Å; V58-V71 HydrophobicContact CG1-CG2 3.77Å; V58-A88 HydrophobicContact CB-CB 4.11Å; V58-A88 HydrophobicContact CG1-CB 4.18Å; V58-A88 HydrophobicContact CG2-CB 4.07Å; V58-L90 HydrophobicContact CB-CD1 4.41Å; V58-L90 HydrophobicContact CB-CD2 4.4Å; V58-L90 HydrophobicContact CG1-CD1 3.54Å; V58-L90 HydrophobicContact CG1-CD2 3.99Å; V58-L90 HydrophobicContact CG1-CG 4.4Å; V58-L90 WeakPolarHBondContact O-CD2 3.39Å; V58-M97 CarbonylContact O-C 3.58Å; V58-M97 VanDerWaalsContact O-CA 3.31Å; V58-M97 WeakPolarHBondContact O-CA 3.4Å; V58-V98 PolarHBondContact N-O 2.66Å; V58-V98 PolarHBondContact O-N 2.8Å; V58-L100 HydrophobicContact CG2-CD1 3.84Å; V58-L100 HydrophobicContact CG2-CG 4.35Å; V58-V120 HydrophobicContact CG1-CG1 3.44Å; V58-V120 VanDerWaalsContact CG1-CG1 3.44Å; V58-T121 CarbonylContact C-O 3.57Å; V58-T121 WeakPolarHBondContact CA-O 3.31Å; V58-V122 HydrophobicContact CG1-CG2 4.11Å; V58-V122 HydrophobicContact CG2-CG1 4.28Å; V58-V122 HydrophobicContact CG2-CG2 4.2Å
59C98.7Very high97.1Very high26 Ų2651.7 Ų51.718%0.17627%0.274CS..EExtended strand (participates in β ladder)trans-133.2139.1-172.9-60.40000110.7G61 M97 V120 T121C59-G61 PolarHBondContact O-N 2.84Å; C59-M97 WeakPolarHBondContact SG-CE 3.44Å; C59-V120 CarbonylContact O-C 3.6Å; C59-V120 WeakPolarHBondContact O-CA 3.15Å; C59-T121 PolarHBondContact N-O 2.86Å; C59-T121 PolarHBondContact O-N 3.5Å
60L98.8Very high97.5Very high28 Ų2850 Ų5015%0.14727%0.267CS..EExtended strand (participates in β ladder)trans-68.5129.6163.2-64.8-179.4000109.3A64 N69 L90 I92 P96 V120L60-A64 HydrophobicContact CB-CB 4.14Å; L60-A64 HydrophobicContact CD2-CB 4.34Å; L60-N69 HydrophobicContact CD2-CB 3.9Å; L60-L90 HydrophobicContact CD1-CB 4.21Å; L60-L90 HydrophobicContact CD2-CB 3.72Å; L60-L90 HydrophobicContact CD2-CD2 4.43Å; L60-L90 HydrophobicContact CG-CB 3.81Å; L60-L90 HydrophobicContact CG-CD2 4.18Å; L60-I92 HydrophobicContact CD1-CB 3.99Å; L60-P96 HydrophobicContact CD1-CB 4.42Å; L60-P96 PolarHBondContact N-O 3.45Å; L60-V120 HydrophobicContact CD2-CG2 4.05Å
61G97.3Very high97.8Very high21 Ų2145.8 Ų45.822%0.21625%0.247CC..PPolyproline II helixtrans-82.3171.3174.100000112.5C59 A64 P119C59-G61 PolarHBondContact O-N 2.84Å; G61-A64 WeakPolarHBondContact O-CB 3.2Å; G61-A64 PolarHBondContact O-N 2.85Å; G61-P119 PolarHBondContact N-O 2.79Å
62E96Very high98Very high193 Ų19345.4 Ų45.490%0.90225%0.245SC*.THydrogen-bonded Turntrans-60.5138.2175.6-172.3175.617600111.1A64 P119E62-A64 VanDerWaalsContact C-N 3.28Å; E62-A64 PolarHBondContact O-N 3.27Å; E62-P119 VanDerWaalsContact O-CG 3.26Å; E62-P119 WeakPolarHBondContact O-CG 3.42Å
63G95.4Very high98.1Very high68 Ų6844.1 Ų44.170%0.70124%0.24SC*.THydrogen-bonded Turntrans80.53.9-178.700000114.8K65G63-K65 PolarHBondContact O-N 3.45Å
64A97.4Very high98.1Very high12 Ų1245.3 Ų45.310%0.09925%0.248CC..  trans-59.1133.8169.900000110.7L60 G61 E62 G118L60-A64 HydrophobicContact CB-CB 4.14Å; L60-A64 HydrophobicContact CD2-CB 4.34Å; G61-A64 WeakPolarHBondContact O-CB 3.2Å; G61-A64 PolarHBondContact O-N 2.85Å; E62-A64 VanDerWaalsContact C-N 3.28Å; E62-A64 PolarHBondContact O-N 3.27Å; A64-G118 WeakPolarHBondContact CA-O 3.41Å
65K97.6Very high98.1Very high127 Ų12745.2 Ų45.255%0.55225%0.249SC*.  trans-72.8161.9-179.9-62.9-178.2-173.2170.50111.4G63 E67G63-K65 PolarHBondContact O-N 3.45Å; K65-E67 HydrophobicContact CB-CG 4.25Å; K65-E67 PolarHBondContact O-N 2.97Å
66E97.7Very high98Very high141 Ų14151.2 Ų51.266%0.65928%0.279SS*.SBendtrans-73.378.5170.1-169.7-17917300110.5I92 N93E66-I92 HydrophobicContact CB-CG2 4.31Å; E66-I92 HydrophobicContact CG-CG2 4.23Å; E66-N93 PolarHBondContact OE1-ND2 2.83Å
67E97.9Very high97.9Very high57 Ų5748.2 Ų48.227%0.26627%0.27SS..SBendtrans-152.1167.9177.369-169166.300111.1K65 N69 H91 T117K65-E67 HydrophobicContact CB-CG 4.25Å; K65-E67 PolarHBondContact O-N 2.97Å; E67-N69 PolarHBondContact O-ND2 2.91Å; E67-N69 VanDerWaalsContact O-ND2 3.17Å; E67-H91 VanDerWaalsContact C-CD2 3.41Å; E67-H91 PolarHBondContact O-CD2 2.88Å; E67-T117 WeakPolarHBondContact OE1-CA 3.29Å; E67-T117 VanDerWaalsContact OE1-CB 3.24Å; E67-T117 WeakPolarHBondContact OE1-CB 3.39Å; E67-T117 WeakPolarHBondContact OE1-CG2 3.24Å; E67-T117 PolarHBondContact OE1-N 2.97Å; E67-T117 PolarHBondContact OE1-OG1 2.91Å
68S98.3Very high97.8Very high56 Ų5654.6 Ų54.639%0.39230%0.297SS..  trans-81.2123.6175.1-63.40000111L90 S115 G116S68-L90 WeakPolarHBondContact CA-O 3.33Å; S68-S115 PolarHBondContact O-OG 2.76Å; S68-G116 PolarHBondContact O-N 2.8Å
69N98.8Very high97.7Very high0 Ų061.3 Ų61.30%033%0.328CS..EExtended strand (participates in β ladder)trans-107.6117.3176.7-68.5-93.9000109.1L60 E67 N89 L90 L113 S115 G116 T117 G118 V120L60-N69 HydrophobicContact CD2-CB 3.9Å; E67-N69 PolarHBondContact O-ND2 2.91Å; E67-N69 VanDerWaalsContact O-ND2 3.17Å; N69-N89 CarbonylContact O-C 3.41Å; N69-N89 WeakPolarHBondContact O-CA 3.35Å; N69-L90 HydrophobicContact CB-CB 4.46Å; N69-L90 PolarHBondContact N-O 2.91Å; N69-L90 PolarHBondContact O-N 2.89Å; N69-L113 HydrophobicContact CB-CD1 4.14Å; N69-S115 VanDerWaalsContact CA-O 3.29Å; N69-S115 WeakPolarHBondContact CA-O 3.47Å; N69-G116 WeakPolarHBondContact OD1-CA 3.42Å; N69-T117 PolarHBondContact OD1-N 3.29Å; N69-G118 PolarHBondContact OD1-N 2.83Å; N69-V120 HydrophobicContact CB-CG2 3.89Å
70V98.8Very high97.6Very high27 Ų2762.4 Ų62.416%0.16435%0.345CS..EExtended strand (participates in β ladder)trans-109.8120.6-177.1179.60000109.4P86 A88 N89 L113 K114 S115V70-P86 HydrophobicContact CG1-CB 4.18Å; V70-A88 WeakPolarHBondContact CA-O 3.43Å; V70-N89 HydrophobicContact CG2-CB 4.4Å; V70-L113 CarbonylContact O-C 3.55Å; V70-K114 HydrophobicContact CB-CB 4.35Å; V70-K114 HydrophobicContact CG1-CB 4.27Å; V70-K114 HydrophobicContact CG1-CD 4.29Å; V70-K114 PolarHBondContact O-N 3.4Å; V70-S115 PolarHBondContact N-O 3.5Å
71V98.8Very high97.5Very high1 Ų167.5 Ų67.51%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-99.1131.1174.5-178.80000109.5L32 V58 P86 V87 A88 L90 I111 R112 L113 V120 V122L32-V71 HydrophobicContact CD1-CG1 4.32Å; V58-V71 HydrophobicContact CG1-CB 4.42Å; V58-V71 HydrophobicContact CG1-CG2 3.77Å; V71-P86 WeakPolarHBondContact O-CA 3.31Å; V71-V87 HydrophobicContact CB-CG2 4.35Å; V71-V87 HydrophobicContact CG1-CG2 4.05Å; V71-V87 PolarHBondContact O-N 2.71Å; V71-A88 HydrophobicContact CB-CB 4.43Å; V71-A88 PolarHBondContact N-O 2.8Å; V71-A88 PolarHBondContact O-N 2.91Å; V71-L90 HydrophobicContact CG2-CD1 4.3Å; V71-I111 HydrophobicContact CG1-CG2 3.62Å; V71-R112 CarbonylContact C-O 3.58Å; V71-R112 WeakPolarHBondContact CA-O 3.47Å; V71-L113 HydrophobicContact CG2-CD1 4.48Å; V71-V120 HydrophobicContact CG2-CG1 3.75Å; V71-V122 HydrophobicContact CG1-CG2 4.2Å
72E98.6Very high97.5Very high7 Ų771 Ų713%0.03338%0.382CS..EExtended strand (participates in β ladder)trans-120.9143.1179-166.4-178.872.800109.8S84 V85 I111 R112 K114E72-S84 VanDerWaalsContact CD-CB 3.47Å; E72-S84 VanDerWaalsContact OE1-CB 3.27Å; E72-S84 WeakPolarHBondContact OE1-CB 3.46Å; E72-V85 WeakPolarHBondContact CA-O 3.37Å; E72-V85 VanDerWaalsContact CG-C 3.47Å; E72-V85 VanDerWaalsContact CG-O 3.31Å; E72-V85 WeakPolarHBondContact CG-O 3.33Å; E72-I111 CarbonylContact O-C 3.56Å; E72-R112 PolarHBondContact N-O 2.98Å; E72-R112 PolarHBondContact O-N 3.41Å; E72-R112 IonicContact OE1-CZ 2.62Å; E72-R112 IonicContact OE1-NE 3.46Å; E72-R112 PolarHBondContact OE1-NE 2.95Å; E72-R112 IonicContact OE1-NH2 2.63Å; E72-R112 PolarHBondContact OE1-NH2 2.94Å; E72-K114 HydrophobicContact CB-CB 4.35Å; E72-K114 WeakPolarHBondContact OE2-CD 3.41Å; E72-K114 WeakPolarHBondContact OE2-CE 3.46Å; E72-K114 IonicContact OE2-NZ 2.75Å; E72-K114 PolarHBondContact OE2-NZ 3.43Å
73V98.8Very high97.6Very high7 Ų764.8 Ų64.84%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-116134.6174.9-179.40000109.5L55 S84 V85 V87 L105 V109 T110 I111L55-V73 HydrophobicContact CD1-CG2 3.75Å; V73-S84 CarbonylContact O-C 3.6Å; V73-S84 VanDerWaalsContact O-CA 3.31Å; V73-S84 WeakPolarHBondContact O-CA 3.34Å; V73-V85 PolarHBondContact N-O 2.84Å; V73-V85 PolarHBondContact O-N 2.83Å; V73-V87 HydrophobicContact CB-CG1 4.05Å; V73-V87 HydrophobicContact CG2-CB 4.4Å; V73-V87 HydrophobicContact CG2-CG1 3.77Å; V73-V87 HydrophobicContact CG2-CG2 3.72Å; V73-L105 HydrophobicContact CB-CD1 4.46Å; V73-L105 HydrophobicContact CG1-CD1 3.36Å; V73-V109 HydrophobicContact CG1-CG1 3.49Å; V73-V109 VanDerWaalsContact CG1-CG1 3.49Å; V73-T110 CarbonylContact C-O 3.58Å; V73-T110 WeakPolarHBondContact CA-O 3.42Å; V73-I111 HydrophobicContact CG2-CG2 4.41Å
74T98.7Very high97.8Very high26 Ų2664.2 Ų64.216%0.1634%0.34CS..EExtended strand (participates in β ladder)trans-113.5120.7176.4-560000109.4T82 I83 S84 T110T74-T82 HydrophobicContact CG2-CG2 3.37Å; T74-I83 WeakPolarHBondContact CA-O 3.46Å; T74-S84 WeakPolarHBondContact OG1-CB 3.48Å; T74-S84 PolarHBondContact OG1-OG 2.82Å; T74-T110 PolarHBondContact N-O 3.19Å; T74-T110 PolarHBondContact O-N 3.4Å
75A98.2Very high97.8Very high12 Ų1267 Ų6710%0.09936%0.356CS..EExtended strand (participates in β ladder)trans-152.1170.3-178.600000110.7T82 I83 L105A75-T82 WeakPolarHBondContact O-CA 3.4Å; A75-I83 PolarHBondContact N-O 3.3Å; A75-I83 PolarHBondContact O-N 3.32Å; A75-L105 HydrophobicContact CB-CD1 4.5Å; A75-L105 HydrophobicContact CB-CD2 4.02Å
76M97.3Very high97.8Very high127 Ų12764.7 Ų64.763%0.62635%0.354SS*.EExtended strand (participates in β ladder)trans-76.8136.8176.6-170.5-178.1-65.400111.1
77N96.4Very high97.9Very high39 Ų3959.3 Ų59.321%0.20933%0.331CS..  trans-94.4179.7173.275.92.1000112.5Q79 G80 K81 I83N77-Q79 PolarHBondContact O-N 2.78Å; N77-Q79 WeakPolarHBondContact OD1-CA 3.27Å; N77-Q79 WeakPolarHBondContact OD1-CB 3.4Å; N77-Q79 PolarHBondContact OD1-N 3.19Å; N77-G80 PolarHBondContact O-N 3.05Å; N77-G80 PolarHBondContact OD1-N 2.93Å; N77-K81 VanDerWaalsContact CG-O 3.31Å; N77-K81 PolarHBondContact N-O 2.92Å; N77-K81 PolarHBondContact OD1-N 2.96Å; N77-K81 PolarHBondContact OD1-O 2.93Å; N77-I83 HydrophobicContact CB-CD1 3.9Å; N77-I83 HydrophobicContact CB-CG1 4.18Å
78H95.7Very high97.9Very high171 Ų17157 Ų5779%0.79232%0.321SS*.THydrogen-bonded Turntrans-61-10.9178.978.984.7000115.4
79Q96.9Very high97.9Very high141 Ų14158.5 Ų58.566%0.65933%0.325SS*.THydrogen-bonded Turntrans-99.86.6177.8-53.7178.922.600111.9N77 K81N77-Q79 PolarHBondContact O-N 2.78Å; N77-Q79 WeakPolarHBondContact OD1-CA 3.27Å; N77-Q79 WeakPolarHBondContact OD1-CB 3.4Å; N77-Q79 PolarHBondContact OD1-N 3.19Å; Q79-K81 PolarHBondContact O-N 3.1Å
80G95.5Very high97.9Very high50 Ų5058.5 Ų58.552%0.51533%0.325SS..SBendtrans73.812.9-174.200000113.8N77N77-G80 PolarHBondContact O-N 3.05Å; N77-G80 PolarHBondContact OD1-N 2.93Å
81K97.6Very high97.9Very high135 Ų13559.3 Ų59.359%0.58733%0.327SS*.  trans-99.3130.4-178.8-176.3179.4177.5-178.70110.7N77 Q79 I83N77-K81 VanDerWaalsContact CG-O 3.31Å; N77-K81 PolarHBondContact N-O 2.92Å; N77-K81 PolarHBondContact OD1-N 2.96Å; N77-K81 PolarHBondContact OD1-O 2.93Å; Q79-K81 PolarHBondContact O-N 3.1Å; K81-I83 HydrophobicContact CD-CG2 4.34Å; K81-I83 HydrophobicContact CG-CG2 4.2Å; K81-I83 PolarHBondContact O-N 3Å
82T97.6Very high97.8Very high93 Ų9363.1 Ų63.157%0.57135%0.346SS*.EExtended strand (participates in β ladder)trans-68.9122.4168.9-52.60000110.4T74 A75T74-T82 HydrophobicContact CG2-CG2 3.37Å; A75-T82 WeakPolarHBondContact O-CA 3.4Å
83I98.3Very high97.7Very high64 Ų6468 Ų6833%0.32837%0.373SS..EExtended strand (participates in β ladder)trans-129.9154.8178.663.6168.1000110.4T74 A75 N77 K81 V85T74-I83 WeakPolarHBondContact CA-O 3.46Å; A75-I83 PolarHBondContact N-O 3.3Å; A75-I83 PolarHBondContact O-N 3.32Å; N77-I83 HydrophobicContact CB-CD1 3.9Å; N77-I83 HydrophobicContact CB-CG1 4.18Å; K81-I83 HydrophobicContact CD-CG2 4.34Å; K81-I83 HydrophobicContact CG-CG2 4.2Å; K81-I83 PolarHBondContact O-N 3Å; I83-V85 HydrophobicContact CD1-CG2 4.07Å; I83-V85 HydrophobicContact CG1-CG2 4.44Å
84S98.4Very high97.5Very high55 Ų5572.8 Ų72.839%0.38541%0.405SS..EExtended strand (participates in β ladder)trans-114.9130.8176.2-48.50000110.6E72 V73 T74E72-S84 VanDerWaalsContact CD-CB 3.47Å; E72-S84 VanDerWaalsContact OE1-CB 3.27Å; E72-S84 WeakPolarHBondContact OE1-CB 3.46Å; V73-S84 CarbonylContact O-C 3.6Å; V73-S84 VanDerWaalsContact O-CA 3.31Å; V73-S84 WeakPolarHBondContact O-CA 3.34Å; T74-S84 WeakPolarHBondContact OG1-CB 3.48Å; T74-S84 PolarHBondContact OG1-OG 2.82Å
85V98.2Very high97.5Very high71 Ų7175.4 Ų75.443%0.4342%0.418SS..EExtended strand (participates in β ladder)trans-131.7128.7-175.8-178.10000109.9E72 V73 I83 V87E72-V85 WeakPolarHBondContact CA-O 3.37Å; E72-V85 VanDerWaalsContact CG-C 3.47Å; E72-V85 VanDerWaalsContact CG-O 3.31Å; E72-V85 WeakPolarHBondContact CG-O 3.33Å; V73-V85 PolarHBondContact N-O 2.84Å; V73-V85 PolarHBondContact O-N 2.83Å; I83-V85 HydrophobicContact CD1-CG2 4.07Å; I83-V85 HydrophobicContact CG1-CG2 4.44Å; V85-V87 PolarHBondContact O-N 3.1Å
86P98.3Very high97.5Very high79 Ų7978 Ų7851%0.51343%0.434SS..EExtended strand (participates in β ladder)trans-68127.5173.328.2-33.1000109.8V70 V71V70-P86 HydrophobicContact CG1-CB 4.18Å; V71-P86 WeakPolarHBondContact O-CA 3.31Å
87V98.3Very high97.5Very high28 Ų2877.2 Ų77.217%0.1743%0.43CS..EExtended strand (participates in β ladder)trans-109.8-23.1-176.7-61.90000113.1V71 V73 V85 L100 F103V71-V87 HydrophobicContact CB-CG2 4.35Å; V71-V87 HydrophobicContact CG1-CG2 4.05Å; V71-V87 PolarHBondContact O-N 2.71Å; V73-V87 HydrophobicContact CB-CG1 4.05Å; V73-V87 HydrophobicContact CG2-CB 4.4Å; V73-V87 HydrophobicContact CG2-CG1 3.77Å; V73-V87 HydrophobicContact CG2-CG2 3.72Å; V85-V87 PolarHBondContact O-N 3.1Å; V87-L100 HydrophobicContact CB-CD2 4.46Å; V87-L100 HydrophobicContact CG2-CD1 4.41Å; V87-L100 WeakPolarHBondContact O-CD2 3.22Å; V87-F103 HydrophobicContact CG1-CE2 4.41Å; V87-F103 HydrophobicContact CG1-CZ 4.26Å
88A98.5Very high97.6Very high8 Ų876.7 Ų76.77%0.06643%0.428CS..EExtended strand (participates in β ladder)trans-149.4146.5177.700000111.7V58 V70 V71 L90 V98V58-A88 HydrophobicContact CB-CB 4.11Å; V58-A88 HydrophobicContact CG1-CB 4.18Å; V58-A88 HydrophobicContact CG2-CB 4.07Å; V70-A88 WeakPolarHBondContact CA-O 3.43Å; V71-A88 HydrophobicContact CB-CB 4.43Å; V71-A88 PolarHBondContact N-O 2.8Å; V71-A88 PolarHBondContact O-N 2.91Å; A88-L90 HydrophobicContact CB-CD1 3.86Å; A88-V98 HydrophobicContact CB-CB 4.17Å; A88-V98 HydrophobicContact CB-CG1 4.34Å; A88-V98 HydrophobicContact CB-CG2 4.13Å
89N98.5Very high97.8Very high88 Ų8872.8 Ų72.847%0.47142%0.42SS..EExtended strand (participates in β ladder)trans-128.5116.5167.6-178.217.8000108.3N69 V70N69-N89 CarbonylContact O-C 3.41Å; N69-N89 WeakPolarHBondContact O-CA 3.35Å; V70-N89 HydrophobicContact CG2-CB 4.4Å
90L98.7Very high97.8Very high0 Ų067.8 Ų67.80%040%0.397CS..EExtended strand (participates in β ladder)trans-114.9144.1-173.1-56.297.2000111.2V58 L60 S68 N69 V71 A88 L95 P96 V98 V120V58-L90 HydrophobicContact CB-CD1 4.41Å; V58-L90 HydrophobicContact CB-CD2 4.4Å; V58-L90 HydrophobicContact CG1-CD1 3.54Å; V58-L90 HydrophobicContact CG1-CD2 3.99Å; V58-L90 HydrophobicContact CG1-CG 4.4Å; V58-L90 WeakPolarHBondContact O-CD2 3.39Å; L60-L90 HydrophobicContact CD1-CB 4.21Å; L60-L90 HydrophobicContact CD2-CB 3.72Å; L60-L90 HydrophobicContact CD2-CD2 4.43Å; L60-L90 HydrophobicContact CG-CB 3.81Å; L60-L90 HydrophobicContact CG-CD2 4.18Å; S68-L90 WeakPolarHBondContact CA-O 3.33Å; N69-L90 HydrophobicContact CB-CB 4.46Å; N69-L90 PolarHBondContact N-O 2.91Å; N69-L90 PolarHBondContact O-N 2.89Å; V71-L90 HydrophobicContact CG2-CD1 4.3Å; A88-L90 HydrophobicContact CB-CD1 3.86Å; L90-L95 VanDerWaalsContact CA-O 3.25Å; L90-L95 WeakPolarHBondContact CA-O 3.32Å; L90-L95 WeakPolarHBondContact CB-O 3.43Å; L90-P96 WeakPolarHBondContact CD2-O 3.31Å; L90-V98 HydrophobicContact CG-CG2 4.29Å; L90-V120 HydrophobicContact CD1-CG1 4.33Å
91H98.4Very high97.8Very high44 Ų4467.2 Ų67.220%0.20439%0.392CS..BIsolated β-bridgetrans-149.5131.8174.1-170.2-79000109.5E67 N93 C94 L95E67-H91 VanDerWaalsContact C-CD2 3.41Å; E67-H91 PolarHBondContact O-CD2 2.88Å; H91-N93 PolarHBondContact ND1-N 2.98Å; H91-N93 PolarHBondContact O-N 2.8Å; H91-N93 VanDerWaalsContact O-N 3.14Å; H91-C94 HydrophobicContact CB-CB 4.37Å; H91-C94 PolarHBondContact O-N 2.92Å; H91-L95 PolarHBondContact N-O 2.89Å; H91-L95 CarbonylContact O-C 3.21Å; H91-L95 PolarHBondContact O-N 2.8Å
92I97.3Very high97.7Very high80 Ų8068.2 Ų68.241%0.4140%0.398SS..THydrogen-bonded Turntrans-58.1-35.8-170.9-164.7164.4000113.3L60 E66L60-I92 HydrophobicContact CD1-CB 3.99Å; E66-I92 HydrophobicContact CB-CG2 4.31Å; E66-I92 HydrophobicContact CG-CG2 4.23Å
93N96.6Very high97.7Very high110 Ų11067.6 Ų67.659%0.58839%0.388SS*.THydrogen-bonded Turntrans-86.9-2.8-179.1-66.5-25.9000115.4E66 H91E66-N93 PolarHBondContact OE1-ND2 2.83Å; H91-N93 PolarHBondContact ND1-N 2.98Å; H91-N93 PolarHBondContact O-N 2.8Å; H91-N93 VanDerWaalsContact O-N 3.14Å
94C95.1Very high97.6Very high108 Ų10869.3 Ų69.373%0.7340%0.395SS*.THydrogen-bonded Turntrans-133.7-51.6-174.6-173.60000112.7H91H91-C94 HydrophobicContact CB-CB 4.37Å; H91-C94 PolarHBondContact O-N 2.92Å
95L97.9Very high97.6Very high81 Ų8168.1 Ų68.142%0.42438%0.384SS..BIsolated β-bridgetrans-147.680.2-174.2-168.362.7000109.3L90 H91 M97 V98L90-L95 VanDerWaalsContact CA-O 3.25Å; L90-L95 WeakPolarHBondContact CA-O 3.32Å; L90-L95 WeakPolarHBondContact CB-O 3.43Å; H91-L95 PolarHBondContact N-O 2.89Å; H91-L95 CarbonylContact O-C 3.21Å; H91-L95 PolarHBondContact O-N 2.8Å; L95-M97 VanDerWaalsContact C-N 3.26Å; L95-M97 WeakPolarHBondContact CD1-O 3.26Å; L95-M97 PolarHBondContact O-N 3.29Å; L95-V98 HydrophobicContact CD2-CG2 3.74Å; L95-V98 HydrophobicContact CG-CG2 3.98Å
96P97.9Very high97.5Very high66 Ų6670.3 Ų70.343%0.42939%0.387SS..SBendtrans-76.8-12.9-177.430.7-35.9000113.6L60 L90L60-P96 HydrophobicContact CD1-CB 4.42Å; L60-P96 PolarHBondContact N-O 3.45Å; L90-P96 WeakPolarHBondContact CD2-O 3.31Å
97M98.4Very high97.4Very high111 Ų11167.7 Ų67.755%0.54737%0.373SS..EExtended strand (participates in β ladder)trans-142.5142.2179.4172.4-170.8-77.900109.9V58 C59 L95V58-M97 CarbonylContact O-C 3.58Å; V58-M97 VanDerWaalsContact O-CA 3.31Å; V58-M97 WeakPolarHBondContact O-CA 3.4Å; C59-M97 WeakPolarHBondContact SG-CE 3.44Å; L95-M97 VanDerWaalsContact C-N 3.26Å; L95-M97 WeakPolarHBondContact CD1-O 3.26Å; L95-M97 PolarHBondContact O-N 3.29Å
98V98.6Very high97.3Very high27 Ų2770.2 Ų70.216%0.16439%0.39CS..EExtended strand (participates in β ladder)trans-125.1130.3170.2178.40000108.4T57 V58 A88 L90 L95 L100T57-V98 CarbonylContact C-O 3.59Å; T57-V98 WeakPolarHBondContact CA-O 3.42Å; V58-V98 PolarHBondContact N-O 2.66Å; V58-V98 PolarHBondContact O-N 2.8Å; A88-V98 HydrophobicContact CB-CB 4.17Å; A88-V98 HydrophobicContact CB-CG1 4.34Å; A88-V98 HydrophobicContact CB-CG2 4.13Å; L90-V98 HydrophobicContact CG-CG2 4.29Å; L95-V98 HydrophobicContact CD2-CG2 3.74Å; L95-V98 HydrophobicContact CG-CG2 3.98Å; V98-L100 HydrophobicContact CG1-CD2 3.93Å
99S98.3Very high97.3Very high90 Ų9069.9 Ų69.963%0.62939%0.387SS*.EExtended strand (participates in β ladder)trans-95.3129.2166.3-1770000109.1R56R56-S99 CarbonylContact O-C 3.58Å; R56-S99 WeakPolarHBondContact O-CA 3.44Å; R56-S99 PolarHBondContact O-OG 2.97Å
100L97.7Very high97.3Very high35 Ų3567.4 Ų67.418%0.18338%0.375CS..EExtended strand (participates in β ladder)trans-96.8-6.6-180-60.9177.6000112.6L55 R56 V58 V87 V98 F103L55-L100 HydrophobicContact CB-CD1 3.88Å; R56-L100 PolarHBondContact O-N 2.93Å; V58-L100 HydrophobicContact CG2-CD1 3.84Å; V58-L100 HydrophobicContact CG2-CG 4.35Å; V87-L100 HydrophobicContact CB-CD2 4.46Å; V87-L100 HydrophobicContact CG2-CD1 4.41Å; V87-L100 WeakPolarHBondContact O-CD2 3.22Å; V98-L100 HydrophobicContact CG1-CD2 3.93Å; L100-F103 HydrophobicContact CB-CB 4.03Å
101G95.3Very high97.3Very high39 Ų3967.4 Ų67.440%0.40238%0.375SS..EExtended strand (participates in β ladder)trans71.8-133.8-172.400000111.4L55 R56L55-G101 VanDerWaalsContact O-O 3.13Å; R56-G101 WeakPolarHBondContact CA-O 3.49Å
102E95.1Very high97.3Very high155 Ų15570.2 Ų70.272%0.72438%0.384SS*.EExtended strand (participates in β ladder)trans-10164.5177.5-65.6167.4-17300109E54 E104E54-E102 HydrophobicContact CG-CB 4.27Å; E102-E104 VanDerWaalsContact C-N 3.35Å; E102-E104 PolarHBondContact O-N 2.84Å
103F97.5Very high97.4Very high81 Ų8167 Ų6736%0.35537%0.367SS..EExtended strand (participates in β ladder)trans-79.186.6-179.8-164.9-64.4000109.2E54 L55 V87 L100 L105E54-F103 CarbonylContact C-O 3.51Å; E54-F103 WeakPolarHBondContact CA-O 3.25Å; L55-F103 HydrophobicContact CB-CB 4.32Å; L55-F103 PolarHBondContact N-O 3.47Å; L55-F103 WeakPolarHBondContact O-CB 3.31Å; L55-F103 PolarHBondContact O-N 2.86Å; V87-F103 HydrophobicContact CG1-CE2 4.41Å; V87-F103 HydrophobicContact CG1-CZ 4.26Å; L100-F103 HydrophobicContact CB-CB 4.03Å; F103-L105 HydrophobicContact CD1-CD1 4.02Å; F103-L105 HydrophobicContact CD1-CD2 4.47Å; F103-L105 HydrophobicContact CD1-CG 3.92Å; F103-L105 HydrophobicContact CE1-CD1 3.72Å; F103-L105 HydrophobicContact CE1-CD2 3.82Å; F103-L105 HydrophobicContact CE1-CG 3.7Å
104E97.3Very high97.5Very high100 Ų10067.3 Ų67.347%0.46736%0.363SS..EExtended strand (participates in β ladder)trans-86.7136.4-177.1-167.1-17693.200112.9F52 E102 L127F52-E104 HydrophobicContact CB-CG 3.89Å; F52-E104 HydrophobicContact CD1-CG 4.14Å; F52-E104 HydrophobicContact CG-CG 4.36Å; E102-E104 VanDerWaalsContact C-N 3.35Å; E102-E104 PolarHBondContact O-N 2.84Å; E104-L127 WeakPolarHBondContact OE2-CD1 3.14Å
105L97.3Very high97.6Very high30 Ų3065 Ų6516%0.15735%0.349CS..EExtended strand (participates in β ladder)trans-138.2130.9177.5-70.1168.5000110.7F52 L53 V73 A75 F103 V109F52-L105 CarbonylContact C-O 3.54Å; F52-L105 WeakPolarHBondContact CA-O 3.37Å; L53-L105 PolarHBondContact N-O 2.62Å; L53-L105 PolarHBondContact O-N 2.87Å; V73-L105 HydrophobicContact CB-CD1 4.46Å; V73-L105 HydrophobicContact CG1-CD1 3.36Å; A75-L105 HydrophobicContact CB-CD1 4.5Å; A75-L105 HydrophobicContact CB-CD2 4.02Å; F103-L105 HydrophobicContact CD1-CD1 4.02Å; F103-L105 HydrophobicContact CD1-CD2 4.47Å; F103-L105 HydrophobicContact CD1-CG 3.92Å; F103-L105 HydrophobicContact CE1-CD1 3.72Å; F103-L105 HydrophobicContact CE1-CD2 3.82Å; F103-L105 HydrophobicContact CE1-CG 3.7Å; L105-V109 HydrophobicContact CB-CG1 4.5Å; L105-V109 HydrophobicContact CB-CG2 3.56Å; L105-V109 HydrophobicContact CD1-CG1 3.7Å; L105-V109 HydrophobicContact CD1-CG2 4.25Å
106K96Very high97.6Very high116 Ų11662.1 Ų62.150%0.50434%0.339SS..EExtended strand (participates in β ladder)trans-68.8136.6171.2-173.2169.9177.9166.60110.7E50 F52 V109E50-K106 IonicContact OE1-NZ 2.66Å; E50-K106 PolarHBondContact OE1-NZ 2.97Å; F52-K106 HydrophobicContact CD1-CB 4.01Å; F52-K106 HydrophobicContact CD1-CG 4.45Å; F52-K106 HydrophobicContact CE1-CB 3.98Å; F52-K106 HydrophobicContact CE1-CD 4.39Å; F52-K106 HydrophobicContact CE1-CG 4.19Å; K106-V109 WeakPolarHBondContact O-CG2 3.41Å
107A96.1Very high97.7Very high25 Ų2560.8 Ų60.821%0.20733%0.329CS..SBendtrans-60.8148.9174.600000112.2F41 H51F41-A107 HydrophobicContact CD1-CB 4.05Å; F41-A107 HydrophobicContact CE1-CB 3.93Å; H51-A107 HydrophobicContact CB-CB 4.12Å; H51-A107 WeakPolarHBondContact O-CB 3.43Å; H51-A107 PolarHBondContact O-N 3.13Å
108P96.8Very high97.6Very high81 Ų8155.7 Ų55.753%0.52631%0.305SS..PPolyproline II helixcis-82147.2-032.9-35.3000113.5F41 Q42F41-P108 WeakPolarHBondContact O-CA 2.99Å; Q42-P108 HydrophobicContact CG-CB 4.44Å
109V98.3Very high97.6Very high0 Ų055.7 Ų55.70%031%0.306CS..EExtended strand (participates in β ladder)trans-130.8126.5-179.6-177.20000110.3T40 F41 L53 V73 L105 K106 I111T40-V109 CarbonylContact C-O 3.57Å; T40-V109 WeakPolarHBondContact CA-O 3.38Å; F41-V109 PolarHBondContact N-O 2.95Å; F41-V109 PolarHBondContact O-N 2.86Å; L53-V109 HydrophobicContact CB-CG2 4.4Å; L53-V109 HydrophobicContact CD2-CB 4.09Å; L53-V109 HydrophobicContact CD2-CG1 4.08Å; V73-V109 HydrophobicContact CG1-CG1 3.49Å; V73-V109 VanDerWaalsContact CG1-CG1 3.49Å; L105-V109 HydrophobicContact CB-CG1 4.5Å; L105-V109 HydrophobicContact CB-CG2 3.56Å; L105-V109 HydrophobicContact CD1-CG1 3.7Å; L105-V109 HydrophobicContact CD1-CG2 4.25Å; K106-V109 WeakPolarHBondContact O-CG2 3.41Å; V109-I111 HydrophobicContact CG1-CG1 4.48Å
110T98.7Very high97.6Very high37 Ų3751.4 Ų51.423%0.22728%0.276CS..EExtended strand (participates in β ladder)trans-108.9123.4172.9-57.30000110.7F38 Y39 T40 V73 T74F38-T110 HydrophobicContact CB-CG2 4.26Å; Y39-T110 CarbonylContact O-C 3.5Å; Y39-T110 WeakPolarHBondContact O-CA 3.39Å; T40-T110 WeakPolarHBondContact CG2-OG1 3.29Å; T40-T110 WeakPolarHBondContact OG1-CG2 3.4Å; T40-T110 PolarHBondContact OG1-OG1 2.83Å; V73-T110 CarbonylContact C-O 3.58Å; V73-T110 WeakPolarHBondContact CA-O 3.42Å; T74-T110 PolarHBondContact N-O 3.19Å; T74-T110 PolarHBondContact O-N 3.4Å
111I98.8Very high97.7Very high0 Ų051.6 Ų51.60%028%0.279CS..EExtended strand (participates in β ladder)trans-101.9131174.8-46173000108F28 L32 F38 Y39 L53 L55 V71 E72 V73 V109 V122F28-I111 HydrophobicContact CE1-CD1 3.96Å; F28-I111 HydrophobicContact CZ-CD1 4.12Å; L32-I111 HydrophobicContact CD1-CB 4.45Å; L32-I111 HydrophobicContact CD1-CG2 3.73Å; F38-I111 CarbonylContact C-O 3.51Å; F38-I111 WeakPolarHBondContact CA-O 3.43Å; F38-I111 WeakPolarHBondContact CB-O 3.41Å; Y39-I111 PolarHBondContact N-O 2.81Å; Y39-I111 PolarHBondContact O-N 2.92Å; L53-I111 HydrophobicContact CD2-CD1 4.15Å; L55-I111 HydrophobicContact CD1-CD1 4.46Å; L55-I111 HydrophobicContact CD2-CD1 3.83Å; V71-I111 HydrophobicContact CG1-CG2 3.62Å; E72-I111 CarbonylContact O-C 3.56Å; V73-I111 HydrophobicContact CG2-CG2 4.41Å; V109-I111 HydrophobicContact CG1-CG1 4.48Å; I111-V122 HydrophobicContact CD1-CG1 4.12Å; I111-V122 HydrophobicContact CG2-CG2 4.06Å
112R98.8Very high97.9Very high102 Ų10249.8 Ų49.839%0.38526%0.26SS..EExtended strand (participates in β ladder)trans-135.4135.9-174.8-179.9172.669.5174.52.3112.6P37 F38 V71 E72 K114P37-R112 CarbonylContact O-C 3.57Å; P37-R112 VanDerWaalsContact O-CA 3.31Å; P37-R112 WeakPolarHBondContact O-CA 3.44Å; P37-R112 WeakPolarHBondContact O-CG 3.44Å; F38-R112 HydrophobicContact CB-CB 4.18Å; F38-R112 HydrophobicContact CB-CG 4.32Å; V71-R112 CarbonylContact C-O 3.58Å; V71-R112 WeakPolarHBondContact CA-O 3.47Å; E72-R112 PolarHBondContact N-O 2.98Å; E72-R112 PolarHBondContact O-N 3.41Å; E72-R112 IonicContact OE1-CZ 2.62Å; E72-R112 IonicContact OE1-NE 3.46Å; E72-R112 PolarHBondContact OE1-NE 2.95Å; E72-R112 IonicContact OE1-NH2 2.63Å; E72-R112 PolarHBondContact OE1-NH2 2.94Å; R112-K114 PolarHBondContact O-N 3.47Å
113L98.8Very high98Very high12 Ų1244.1 Ų44.16%0.06324%0.237CC..EExtended strand (participates in β ladder)trans-78.6100.7163.3-173.265.8000108.6L32 P37 N69 V70 V71 S115 G116 V120L32-L113 HydrophobicContact CB-CB 3.92Å; L32-L113 HydrophobicContact CD1-CB 4.45Å; P37-L113 PolarHBondContact O-N 3.48Å; N69-L113 HydrophobicContact CB-CD1 4.14Å; V70-L113 CarbonylContact O-C 3.55Å; V71-L113 HydrophobicContact CG2-CD1 4.48Å; L113-S115 WeakPolarHBondContact CD1-O 3.41Å; L113-G116 WeakPolarHBondContact CD2-O 3.43Å; L113-V120 HydrophobicContact CD1-CG2 3.76Å
114K98.5Very high98.1Very high117 Ų11740.6 Ų40.651%0.50922%0.223SC..EExtended strand (participates in β ladder)trans-77.3-32.2-177.4-177.1-179.2-169.4158.60112.6V70 E72 R112V70-K114 HydrophobicContact CB-CB 4.35Å; V70-K114 HydrophobicContact CG1-CB 4.27Å; V70-K114 HydrophobicContact CG1-CD 4.29Å; V70-K114 PolarHBondContact O-N 3.4Å; E72-K114 HydrophobicContact CB-CB 4.35Å; E72-K114 WeakPolarHBondContact OE2-CD 3.41Å; E72-K114 WeakPolarHBondContact OE2-CE 3.46Å; E72-K114 IonicContact OE2-NZ 2.75Å; E72-K114 PolarHBondContact OE2-NZ 3.43Å; R112-K114 PolarHBondContact O-N 3.47Å
115S98.2Very high98.1Very high60 Ų6037.2 Ų37.242%0.4221%0.209SC..EExtended strand (participates in β ladder)trans-148154.7-179.7177.60000109.3S68 N69 V70 L113S68-S115 PolarHBondContact O-OG 2.76Å; N69-S115 VanDerWaalsContact CA-O 3.29Å; N69-S115 WeakPolarHBondContact CA-O 3.47Å; V70-S115 PolarHBondContact N-O 3.5Å; L113-S115 WeakPolarHBondContact CD1-O 3.41Å
116G98.3Very high98.1Very high21 Ų2137.5 Ų37.522%0.21621%0.209CC..SBendtrans86.2168.3-175.300000112.4S68 N69 L113S68-G116 PolarHBondContact O-N 2.8Å; N69-G116 WeakPolarHBondContact OD1-CA 3.42Å; L113-G116 WeakPolarHBondContact CD2-O 3.43Å
117T98.4Very high98.1Very high38 Ų3832.3 Ų32.323%0.23319%0.187CC..  trans-103.1-9.8-176.560.30000113.5S33 S34 E67 N69S33-T117 CarbonylContact C-O 3.58Å; S33-T117 WeakPolarHBondContact CA-O 3.45Å; S34-T117 PolarHBondContact N-O 2.95Å; E67-T117 WeakPolarHBondContact OE1-CA 3.29Å; E67-T117 VanDerWaalsContact OE1-CB 3.24Å; E67-T117 WeakPolarHBondContact OE1-CB 3.39Å; E67-T117 WeakPolarHBondContact OE1-CG2 3.24Å; E67-T117 PolarHBondContact OE1-N 2.97Å; E67-T117 PolarHBondContact OE1-OG1 2.91Å; N69-T117 PolarHBondContact OD1-N 3.29Å
118G97.6Very high98.1Very high4 Ų432 Ų324%0.04118%0.182CC..  trans65-159.9-174.500000112.6A64 N69A64-G118 WeakPolarHBondContact CA-O 3.41Å; N69-G118 PolarHBondContact OD1-N 2.83Å
119P98.5Very high97.8Very high26 Ų2629.2 Ų29.217%0.16917%0.165CC..  cis-68.4144.63.126.5-33.1000112.9E31 L32 G61 E62E31-P119 HydrophobicContact CG-CB 3.94Å; L32-P119 CarbonylContact O-C 3.6Å; L32-P119 WeakPolarHBondContact O-CA 3.44Å; G61-P119 PolarHBondContact N-O 2.79Å; E62-P119 VanDerWaalsContact O-CG 3.26Å; E62-P119 WeakPolarHBondContact O-CG 3.42Å
120V98.8Very high97.2Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-127120.1172.9-1740000108.9E31 L32 V58 C59 L60 N69 V71 L90 L113E31-V120 CarbonylContact C-O 3.6Å; E31-V120 WeakPolarHBondContact CA-O 3.45Å; L32-V120 PolarHBondContact N-O 2.76Å; L32-V120 PolarHBondContact O-N 3.25Å; V58-V120 HydrophobicContact CG1-CG1 3.44Å; V58-V120 VanDerWaalsContact CG1-CG1 3.44Å; C59-V120 CarbonylContact O-C 3.6Å; C59-V120 WeakPolarHBondContact O-CA 3.15Å; L60-V120 HydrophobicContact CD2-CG2 4.05Å; N69-V120 HydrophobicContact CB-CG2 3.89Å; V71-V120 HydrophobicContact CG2-CG1 3.75Å; L90-V120 HydrophobicContact CD1-CG1 4.33Å; L113-V120 HydrophobicContact CD1-CG2 3.76Å
121T98.8Very high96.1Very high40 Ų4035.5 Ų35.525%0.24520%0.199CC..EExtended strand (participates in β ladder)trans-92.2132.5174.6-52.30000109.6S29 C30 V58 C59S29-T121 WeakPolarHBondContact OG-CG2 3.48Å; C30-T121 WeakPolarHBondContact O-CA 3.23Å; V58-T121 CarbonylContact C-O 3.57Å; V58-T121 WeakPolarHBondContact CA-O 3.31Å; C59-T121 PolarHBondContact N-O 2.86Å; C59-T121 PolarHBondContact O-N 3.5Å
122V98.8Very high94.2Very high1 Ų138.6 Ų38.61%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-114.9125.3169.1-175.70000107.4S29 C30 L32 L55 T57 V58 V71 I111S29-V122 CarbonylContact C-O 3.54Å; S29-V122 VanDerWaalsContact CA-O 3.29Å; S29-V122 WeakPolarHBondContact CA-O 3.44Å; C30-V122 PolarHBondContact N-O 3.03Å; C30-V122 PolarHBondContact O-N 2.95Å; L32-V122 HydrophobicContact CD1-CG2 4.27Å; L55-V122 HydrophobicContact CD2-CG1 3.91Å; T57-V122 WeakPolarHBondContact O-CA 3.5Å; V58-V122 HydrophobicContact CG1-CG2 4.11Å; V58-V122 HydrophobicContact CG2-CG1 4.28Å; V58-V122 HydrophobicContact CG2-CG2 4.2Å; V71-V122 HydrophobicContact CG1-CG2 4.2Å; I111-V122 HydrophobicContact CD1-CG1 4.12Å; I111-V122 HydrophobicContact CG2-CG2 4.06Å
123S98.6Very high92.1Very high35 Ų3537.9 Ų37.925%0.24523%0.231CC..EExtended strand (participates in β ladder)trans-128.5158.3-178.269.80000112.1F28 R56 T57F28-S123 WeakPolarHBondContact O-CA 3.47Å; R56-S123 PolarHBondContact N-O 2.8Å; T57-S123 PolarHBondContact N-O 3.02Å; T57-S123 VanDerWaalsContact N-O 3.1Å; T57-S123 PolarHBondContact O-N 2.9Å; T57-S123 PolarHBondContact OG1-OG 2.82Å
124G98.5Very high89.9Confident7 Ų744.5 Ų44.57%0.07227%0.267CS..EExtended strand (participates in β ladder)trans177.2-156.3-170.100000113.1F28 E54F28-G124 PolarHBondContact N-O 3.28Å; F28-G124 PolarHBondContact O-N 3.32Å; E54-G124 CarbonylContact O-C 3.53Å; E54-G124 WeakPolarHBondContact O-CA 3.41Å
125L98.4Very high87.6Confident30 Ų3042.4 Ų42.416%0.15727%0.267CS..EExtended strand (participates in β ladder)trans-121.2145.2173.2-58.6176.6000110.6Y26 E54 R56 L127Y26-L125 CarbonylContact O-C 3.58Å; Y26-L125 VanDerWaalsContact O-CA 3.23Å; Y26-L125 WeakPolarHBondContact O-CA 3.45Å; E54-L125 HydrophobicContact CB-CB 4.26Å; E54-L125 PolarHBondContact N-O 3.34Å; E54-L125 PolarHBondContact O-N 3.46Å; R56-L125 VanDerWaalsContact NH2-CD1 3.3Å; L125-L127 HydrophobicContact CB-CD2 3.83Å; L125-L127 HydrophobicContact CB-CG 4.37Å; L125-L127 HydrophobicContact CD1-CD2 4.17Å
126H97.4Very high85.3Confident36 Ų3646.8 Ų46.817%0.16729%0.286CS..EExtended strand (participates in β ladder)trans-96.4120.8159.9166.3-161.4000107S25 Y26 F28 F41 H51 I128S25-H126 WeakPolarHBondContact CA-O 3.29Å; Y26-H126 PolarHBondContact N-O 3.18Å; Y26-H126 PolarHBondContact O-N 2.82Å; F28-H126 HydrophobicContact CB-CB 4.47Å; F41-H126 HydrophobicContact CE2-CB 4.25Å; F41-H126 AromaticContact CE2-CG 3.86Å; F41-H126 HydrophobicContact CZ-CB 4.29Å; F41-H126 AromaticContact CZ-CD2 3.46Å; F41-H126 VanDerWaalsContact CZ-CD2 3.46Å; F41-H126 WeakPolarHBondContact CZ-CD2 3.46Å; F41-H126 AromaticContact CZ-CG 3.68Å; F41-H126 AromaticContact CZ-NE2 3.79Å; H51-H126 AromaticContact CE1-NE2 3.74Å; H51-H126 AromaticContact CG-NE2 3.84Å; H51-H126 AromaticContact ND1-CE1 3.54Å; H51-H126 AromaticContact ND1-NE2 2.94Å; H51-H126 PolarHBondContact ND1-NE2 3.05Å; H126-I128 WeakPolarHBondContact NE2-CG1 3.16Å
127L96.1Very high83Confident7 Ų752.9 Ų52.94%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-108.4134.2179.1-48.5173.4000109.7L23 E24 F52 E54 E104 L125L23-L127 HydrophobicContact CD1-CB 3.99Å; L23-L127 HydrophobicContact CD2-CD1 4.42Å; L23-L127 HydrophobicContact CG-CB 4.4Å; E24-L127 CarbonylContact O-C 3.03Å; E24-L127 VanDerWaalsContact O-CA 3.29Å; E24-L127 WeakPolarHBondContact O-CA 3.46Å; F52-L127 HydrophobicContact CB-CB 4.21Å; F52-L127 PolarHBondContact N-O 2.72Å; F52-L127 PolarHBondContact O-N 2.63Å; E54-L127 HydrophobicContact CB-CD1 4.15Å; E104-L127 WeakPolarHBondContact OE2-CD1 3.14Å; L125-L127 HydrophobicContact CB-CD2 3.83Å; L125-L127 HydrophobicContact CB-CG 4.37Å; L125-L127 HydrophobicContact CD1-CD2 4.17Å
128I94.4Very high80.5Confident19 Ų1955.5 Ų55.510%0.09733%0.332CS..EExtended strand (participates in β ladder)trans-118.5120174.9-54.8179.8000107.9L23 E24 Y26 L49 H126L23-I128 WeakPolarHBondContact CA-O 3.4Å; L23-I128 WeakPolarHBondContact CD1-O 3.45Å; E24-I128 HydrophobicContact CB-CB 4.47Å; E24-I128 PolarHBondContact N-O 2.88Å; E24-I128 PolarHBondContact O-N 3Å; Y26-I128 HydrophobicContact CD2-CD1 4.28Å; Y26-I128 HydrophobicContact CE2-CD1 3.77Å; Y26-I128 HydrophobicContact CE2-CG1 4.29Å; L49-I128 HydrophobicContact CB-CG2 3.97Å; L49-I128 HydrophobicContact CD1-CG2 3.69Å; L49-I128 HydrophobicContact CG-CG2 4.42Å; H126-I128 WeakPolarHBondContact NE2-CG1 3.16Å
129A91.9Very high78Confident21 Ų2159.6 Ų59.617%0.17436%0.36CS..EExtended strand (participates in β ladder)trans-97.1126.3174.800000110L23 E50 F52L23-A129 HydrophobicContact CD1-CB 4.03Å; E50-A129 HydrophobicContact CB-CB 4.33Å; E50-A129 PolarHBondContact N-O 2.75Å; E50-A129 PolarHBondContact O-N 3.41Å; F52-A129 HydrophobicContact CE2-CB 4.15Å
130S86.3Confident75.3Confident18 Ų1866 Ų6613%0.12639%0.388CS..EExtended strand (participates in β ladder)trans-120.8130.9174.262.60000111R22 N132R22-S130 PolarHBondContact N-O 2.91Å; R22-S130 PolarHBondContact O-N 3.46Å; R22-S130 PolarHBondContact O-OG 2.84Å; S130-N132 PolarHBondContact O-N 2.63Å
131D74.2Confident72.6Confident151 Ų15174.8 Ų74.881%0.80743%0.429SS*.  trans-74.8109.5171.1-72.9-19.1000108.7A133D131-A133 VanDerWaalsContact C-N 3.29Å; D131-A133 PolarHBondContact O-N 2.91Å
132N60.1Low69.8Low65 Ų6580 Ų8035%0.34845%0.45SS..  trans-70.184.7176.3-78.8-20.7000110.1Q20 S130Q20-N132 PolarHBondContact O-ND2 2.75Å; S130-N132 PolarHBondContact O-N 2.63Å
133A53.8Low67.1Low87 Ų8786.6 Ų86.672%0.71949%0.486SS*.SBendtrans-93.4-22.2159.300000112D131D131-A133 VanDerWaalsContact C-N 3.29Å; D131-A133 PolarHBondContact O-N 2.91Å
134D52.9Low64.4Low152 Ų15292 Ų9281%0.81351%0.511SS*.  trans-118.639.8-171.1-61.3-40.1000112.6D136D134-D136 VanDerWaalsContact C-N 3.26Å; D134-D136 PolarHBondContact O-N 2.92Å
135S49.6Very low61.8Low73 Ų7398.4 Ų98.451%0.5154%0.544SS..  trans-68.596.8159.462.90000107L137S135-L137 PolarHBondContact O-N 3.25Å
136D50.2Low59.4Low152 Ų152105.5 Ų105.581%0.81358%0.576SS**  trans-44.492.1163.3-90-41.4000109.1D134 S138D134-D136 VanDerWaalsContact C-N 3.26Å; D134-D136 PolarHBondContact O-N 2.92Å; D136-S138 PolarHBondContact O-N 2.95Å
137L49.1Very low57.1Low148 Ų148112 Ų11278%0.77561%0.606SS**  trans-76.963.2163.2-61.7-176.1000107.5S135 S139S135-L137 PolarHBondContact O-N 3.25Å; L137-S139 PolarHBondContact O-N 2.74Å
138S46.7Very low54.7Low94 Ų94118.8 Ų118.866%0.65764%0.641SS**  trans-82.766.2147.368.80000106.8D136 E140D136-S138 PolarHBondContact O-N 2.95Å; S138-E140 PolarHBondContact O-N 3.02Å
139S44.5Very low52.6Low89 Ų89124.6 Ų124.662%0.62267%0.671SS**  trans-62.894.3156.251.20000105.6L137 E141L137-S139 PolarHBondContact O-N 2.74Å; S139-E141 VanDerWaalsContact C-N 3.3Å; S139-E141 PolarHBondContact O-N 2.87Å
140E41.7Very low50.3Low161 Ų161129.3 Ų129.375%0.75270%0.7SS**  trans-55.4105.9158.8-67.7-172.1154.100105.5S138 E142S138-E140 PolarHBondContact O-N 3.02Å; E140-E142 PolarHBondContact O-N 3.05Å
141E43.1Very low48.8Very low184 Ų184136.4 Ų136.486%0.8674%0.735SS**  trans-63.284.4166.5-66.3-167.1171.400107.1S139 D143S139-E141 VanDerWaalsContact C-N 3.3Å; S139-E141 PolarHBondContact O-N 2.87Å; E141-D143 VanDerWaalsContact C-N 3.25Å; E141-D143 PolarHBondContact O-N 2.82Å
142E38.9Very low48Very low149 Ų149138.4 Ų138.470%0.69674%0.736SS**  trans-73.290.8161.2-75.4-167.5168.500107.4E140 L144E140-E142 PolarHBondContact O-N 3.05Å; E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 2.94Å
143D42.7Very low47.5Very low141 Ų141141.3 Ų141.375%0.75476%0.758SS**  trans-55.687.6167.5-146.8-1.9000108.9E141 D145E141-D143 VanDerWaalsContact C-N 3.25Å; E141-D143 PolarHBondContact O-N 2.82Å; D143-D145 VanDerWaalsContact C-N 3.26Å; D143-D145 PolarHBondContact O-N 3.36Å
144L41.9Very low47.5Very low148 Ų148142 Ų14278%0.77577%0.765SS**  trans-78.578.2174.5-74.3171.6000109.1E142 E146E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 2.94Å; L144-E146 PolarHBondContact O-N 2.91Å
145D43.7Very low47.6Very low142 Ų142144.7 Ų144.776%0.75977%0.769SS**  trans-59.7102.5164.2-88.7-39.9000109.8D143 E147D143-D145 VanDerWaalsContact C-N 3.26Å; D143-D145 PolarHBondContact O-N 3.36Å; D145-E147 VanDerWaalsContact C-N 3.35Å; D145-E147 PolarHBondContact O-N 2.97Å
146E48.4Very low47.7Very low179 Ų179150.7 Ų150.784%0.83679%0.786SS**  trans-6982.4171.7-68.8-174.8159.400111.2L144 I148L144-E146 PolarHBondContact O-N 2.91Å; E146-I148 PolarHBondContact O-N 3.27Å
147E48.1Very low47.7Very low172 Ų172153 Ų15380%0.80479%0.789SS**  trans-84.395.3167.7-153179.6-166.300110.7D145 I149D145-E147 VanDerWaalsContact C-N 3.35Å; D145-E147 PolarHBondContact O-N 2.97Å; E147-I149 PolarHBondContact O-N 2.95Å
148I46.9Very low47.5Very low149 Ų149155 Ų15576%0.76479%0.794SS**  trans-65.998.2176-56.1170.9000109.9E146E146-I148 PolarHBondContact O-N 3.27Å
149I49Very low47.4Very low141 Ų141160.7 Ų160.772%0.72381%0.807SS**PPolyproline II helixtrans-72126.4171.532169.9000111.7E147 I151E147-I149 PolarHBondContact O-N 2.95Å; I149-I151 PolarHBondContact O-N 3.02Å
150P44.4Very low47.4Very low120 Ų120168.2 Ų168.278%0.77984%0.839SS**PPolyproline II helixtrans-71.9122.6-178.7-14.928.5000112.7K152P150-K152 PolarHBondContact O-N 3.48Å
151I54.7Low47.7Very low168 Ų168168.6 Ų168.686%0.86284%0.843SS**PPolyproline II helixtrans-70.7119.5175.4-55.2170.8000109.8I149I149-I151 PolarHBondContact O-N 3.02Å
152K58Low48Very low192 Ų192167.7 Ų167.784%0.83584%0.842SS**PPolyproline II helixtrans-84.1138.5170.6-70.4-179.6-178.4170.80110.9P150P150-K152 PolarHBondContact O-N 3.48Å
153P49.3Very low48.5Very low126 Ų126168.8 Ų168.882%0.81885%0.85SS**PPolyproline II helixtrans-74.2142.2-179.127.8-32.7000113
154A52.6Low48.8Very low103 Ų103170.4 Ų170.485%0.85186%0.856SS**PPolyproline II helixtrans-75135.4-179.200000113
155K55.4Low49.2Very low207 Ų207171.8 Ų171.890%0.986%0.861SS**PPolyproline II helixtrans-78.9117.3171.2-71.1-175.7178179.50110.5K157K155-K157 PolarHBondContact O-N 3.38Å
156K51.4Low49.6Very low199 Ų199173.8 Ų173.887%0.86587%0.868SS**PPolyproline II helixtrans-76.5116.9172-159.2174.6-173.8176.50109.5
157K50.7Low49.7Very low202 Ų202173.4 Ų173.488%0.87887%0.87SS**PPolyproline II helixtrans-80116.3167.6-72-174.8177.9-178.90108.9K155K155-K157 PolarHBondContact O-N 3.38Å
158Q45.7Very low49.8Very low190 Ų190173.5 Ų173.589%0.88888%0.875SS**PPolyproline II helixtrans-75.6127.6164.6-79.1173.5-54.700108.7
159K44.7Very low50.1Low212 Ų212175.6 Ų175.692%0.92289%0.885SS**PPolyproline II helixtrans-77.9129.4164.2-76.9-177.1174.1-176.20107.8
160L44.9Very low50.2Low247 Ų247178.7 Ų178.7100%1.29390%0.899SS**  trans-91.70158.6-149.889.6000108

Retrieved 160 of 160 residues in 452.2 ms (Link to these results)