A0A087YGQ5_POEFO Loading...

Synaptojanin-2-binding protein

AlphaFold DB , UniProt , Accession A0A087YGQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 148 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
1M42.8Very low60.6Low234 Ų234137.5 Ų137.5100%1.15372%0.718SS**  0880-72.9158.513700106.6
2N39.2Very low63.5Low165 Ų165128.2 Ų128.288%0.88267%0.671SS**  trans-110.9110.2-172.5-62.38.6000107.5
3G47.6Very low66Low68 Ų68123.6 Ų123.670%0.70165%0.648SS**  trans-59.6135.3-165.900000113.5L5G3-L5 PolarHBondContact O-N 3.5Å; G3-L5 VanDerWaalsContact O-N 3.08Å
4S49.9Very low68.2Low93 Ų93114.8 Ų114.865%0.6560%0.602SS**  trans-50.5110.8166.5-172.50000109.3H6S4-H6 PolarHBondContact O-N 2.88Å; S4-H6 PolarHBondContact O-ND1 2.72Å
5L54.4Low70.1Confident155 Ų155113.3 Ų113.381%0.81260%0.595SS**  trans-6393.2163.8-98.397.4000106.3G3 S7G3-L5 PolarHBondContact O-N 3.5Å; G3-L5 VanDerWaalsContact O-N 3.08Å; L5-S7 PolarHBondContact O-N 3.24Å
6H51.7Low71.7Confident163 Ų163106.5 Ų106.576%0.75556%0.559SS**  trans-6388.5158.2-65.299.3000106.2S4 R8S4-H6 PolarHBondContact O-N 2.88Å; S4-H6 PolarHBondContact O-ND1 2.72Å; H6-R8 PolarHBondContact O-N 2.75Å
7S58.8Low73.1Confident59 Ų59106.4 Ų106.441%0.41356%0.559SS.*  trans-55.4104.4172.1-59.10000107L5 V100L5-S7 PolarHBondContact O-N 3.24Å; S7-V100 VanDerWaalsContact CB-CG1 3.44Å
8R64.9Low74.1Confident225 Ų225103.7 Ų103.785%0.84954%0.54SS*.  trans-55.6137.8178.6-74.6-176.9167.2167.8-3.4108.6H6 R10H6-R8 PolarHBondContact O-N 2.75Å; R8-R10 PolarHBondContact O-N 3.28Å
9P76.4Confident75Confident80 Ų8099.4 Ų99.452%0.51952%0.523SS..  trans-58.1117.5174.922.8-30.9000108.5L11 M97P9-L11 PolarHBondContact O-N 2.87Å; P9-M97 HydrophobicContact CB-CG 3.92Å; P9-M97 HydrophobicContact CB-SD 3.6Å; P9-M97 VanDerWaalsContact CB-SD 3.6Å
10R88.8Confident75.6Confident171 Ų171102 Ų10265%0.64555%0.547SS*.  trans-82.6110.6-178.7-179.8-176.3179.2-158.81.3108.4R8 V12 K98R8-R10 PolarHBondContact O-N 3.28Å; R10-V12 HydrophobicContact CG-CG2 4.2Å; R10-K98 HydrophobicContact CB-CB 4.15Å; R10-K98 HydrophobicContact CB-CG 4.3Å; R10-K98 HydrophobicContact CG-CG 4.2Å; R10-K98 PolarHBondContact O-N 2.91Å
11L92.6Very high76Confident100 Ų10099.9 Ų99.952%0.52454%0.543SS..EExtended strand (participates in β ladder)trans-88.2138.7173.7-59.8-179.7000110.3P9 L66 V96 M97P9-L11 PolarHBondContact O-N 2.87Å; L11-L66 HydrophobicContact CD2-CD1 3.5Å; L11-L66 VanDerWaalsContact CD2-CD1 3.5Å; L11-V96 CarbonylContact C-O 3.52Å; L11-V96 WeakPolarHBondContact CA-O 3.3Å; L11-M97 HydrophobicContact CD2-CB 3.73Å; L11-M97 HydrophobicContact CD2-CG 4Å
12V94.6Very high78.4Confident25 Ų2589.6 Ų89.615%0.15250%0.497CS..EExtended strand (participates in β ladder)trans-138.4133.3179.6-1760000108.6R10 I14 V96 K98R10-V12 HydrophobicContact CG-CG2 4.2Å; V12-I14 HydrophobicContact CG1-CD1 4.45Å; V12-I14 HydrophobicContact CG1-CG1 3.9Å; V12-V96 PolarHBondContact N-O 2.85Å; V12-V96 PolarHBondContact O-N 3.16Å; V12-K98 HydrophobicContact CG2-CD 4.09Å; V12-K98 HydrophobicContact CG2-CG 3.74Å
13D96.4Very high80.9Confident69 Ų6982.4 Ų82.437%0.36946%0.458SS..EExtended strand (participates in β ladder)trans-96.6129.4169.7-63.5-70.7000109.4R58 H93 L94 R95D13-R58 PolarHBondContact O-NH1 2.83Å; D13-H93 IonicContact OD1-CE1 3.32Å; D13-H93 PolarHBondContact OD1-CE1 3.13Å; D13-H93 IonicContact OD1-NE2 3.6Å; D13-L94 CarbonylContact C-O 3.5Å; D13-L94 WeakPolarHBondContact CA-O 3.35Å; D13-R95 IonicContact OD1-CZ 3.95Å; D13-R95 IonicContact OD1-NE 2.71Å; D13-R95 PolarHBondContact OD1-NE 2.91Å; D13-R95 IonicContact OD1-NH2 3.58Å; D13-R95 PolarHBondContact OD1-NH2 3.24Å; D13-R95 IonicContact OD2-NH2 3.44Å
14I96.8Very high83.1Confident0 Ų079.4 Ų79.40%043%0.428CS..EExtended strand (participates in β ladder)trans-127124.7-174.5-55.6178.2000108.5V12 L16 R58 L59 H93 L94 V96V12-I14 HydrophobicContact CG1-CD1 4.45Å; V12-I14 HydrophobicContact CG1-CG1 3.9Å; I14-L16 HydrophobicContact CG2-CD2 3.84Å; I14-L16 HydrophobicContact CG2-CG 3.9Å; I14-R58 HydrophobicContact CD1-CB 3.89Å; I14-R58 HydrophobicContact CG1-CB 4.25Å; I14-L59 HydrophobicContact CD1-CB 4.02Å; I14-L59 HydrophobicContact CD1-CD1 4.01Å; I14-H93 CarbonylContact O-C 3.58Å; I14-L94 HydrophobicContact CB-CB 4.45Å; I14-L94 PolarHBondContact N-O 3.05Å; I14-L94 PolarHBondContact O-N 2.89Å; I14-V96 HydrophobicContact CD1-CB 4.49Å; I14-V96 HydrophobicContact CD1-CG2 4.09Å
15N97Very high85.3Confident93 Ų9376.1 Ų76.150%0.49740%0.402SS..EExtended strand (participates in β ladder)trans-101.5122.8171.9-67.3-48.5000108.7V92 H93N15-V92 WeakPolarHBondContact CA-O 3.32Å; N15-H93 WeakPolarHBondContact OD1-CB 3.42Å; N15-H93 PolarHBondContact OD1-CD2 2.81Å
16L95.5Very high87.2Confident4 Ų473.1 Ų73.12%0.02139%0.387CS..EExtended strand (participates in β ladder)trans-118.9136.5176.7-62.9178.7000109.9I14 L23 F25 A53 D56 V92 L94I14-L16 HydrophobicContact CG2-CD2 3.84Å; I14-L16 HydrophobicContact CG2-CG 3.9Å; L16-L23 HydrophobicContact CB-CD2 4.34Å; L16-F25 HydrophobicContact CD1-CE1 4Å; L16-A53 HydrophobicContact CD1-CB 3.95Å; L16-D56 HydrophobicContact CD2-CB 3.52Å; L16-V92 PolarHBondContact N-O 3.21Å; L16-V92 PolarHBondContact O-N 2.84Å; L16-L94 HydrophobicContact CD1-CD1 3.91Å
17N95.4Very high89.2Confident104 Ų10466.8 Ų66.856%0.55636%0.358SS*.EExtended strand (participates in β ladder)trans-88.6128.7166.1-72.759.5000108.7G19 S52 E90 N91N17-G19 PolarHBondContact O-N 3.09Å; N17-S52 WeakPolarHBondContact O-CB 3.18Å; N17-S52 PolarHBondContact O-OG 3.37Å; N17-E90 CarbonylContact C-O 3.51Å; N17-E90 WeakPolarHBondContact CA-O 3.28Å; N17-N91 PolarHBondContact ND2-OD1 3.4Å; N17-N91 PolarHBondContact OD1-OD1 3.45Å
18R92Very high90.7Very high58 Ų5866.1 Ų66.122%0.21935%0.349CS..  trans-60.9123.1176.4-173.4174.8-64.1-88.6-7108.9L23 F85 G89 E90R18-L23 HydrophobicContact CB-CD2 4.35Å; R18-F85 PolarHBondContact NH2-O 3.36Å; R18-G89 PolarHBondContact NE-O 3.17Å; R18-G89 PolarHBondContact NH2-O 3.35Å; R18-E90 PolarHBondContact N-O 3.04Å
19G90.5Very high91.9Very high22 Ų2255.5 Ų55.523%0.22731%0.309CS..BIsolated β-bridgetrans-89178.7173.100000111.6N17 A21 G22 S52N17-G19 PolarHBondContact O-N 3.09Å; G19-A21 PolarHBondContact O-N 2.72Å; G19-G22 PolarHBondContact N-O 2.82Å; G19-G22 PolarHBondContact O-N 2.76Å; G19-S52 PolarHBondContact N-OG 2.86Å; G19-S52 VanDerWaalsContact N-OG 3.16Å
20P87.3Confident92.5Very high152 Ų15251.7 Ų51.799%0.98729%0.285SS*.THydrogen-bonded Turntrans-59.8-21.7176.723.5-33.5000113.4
21A84.1Confident92.5Very high58 Ų5845.9 Ų45.948%0.47927%0.266SS..THydrogen-bonded Turntrans-10318175.200000113.7G19G19-A21 PolarHBondContact O-N 2.72Å
22G91.8Very high92.2Very high18 Ų1845 Ų4519%0.18626%0.262CS..BIsolated β-bridgetrans85.4-147.1-175.500000112.8G19G19-G22 PolarHBondContact N-O 2.82Å; G19-G22 PolarHBondContact O-N 2.76Å
23L93.1Very high91.7Very high13 Ų1348.3 Ų48.37%0.06828%0.276CS..THydrogen-bonded Turntrans-83.3-12.4-176.8-59.3173.3000113.8L16 R18 F25 A53 F85 V92L16-L23 HydrophobicContact CB-CD2 4.34Å; R18-L23 HydrophobicContact CB-CD2 4.35Å; L23-F25 HydrophobicContact CB-CD1 3.91Å; L23-F25 HydrophobicContact CB-CE1 3.47Å; L23-F25 VanDerWaalsContact CB-CE1 3.47Å; L23-F25 HydrophobicContact CB-CZ 4.22Å; L23-F25 HydrophobicContact CD1-CE1 4.09Å; L23-F25 HydrophobicContact CD1-CZ 4.09Å; L23-F25 HydrophobicContact CG-CE1 4.41Å; L23-A53 WeakPolarHBondContact O-CB 3.45Å; L23-A53 PolarHBondContact O-N 3Å; L23-F85 HydrophobicContact CD1-CD1 3.6Å; L23-F85 HydrophobicContact CD1-CE1 4.22Å; L23-V92 HydrophobicContact CD1-CB 4.42Å; L23-V92 HydrophobicContact CD1-CG1 4.14Å; L23-V92 HydrophobicContact CD1-CG2 4.26Å; L23-V92 HydrophobicContact CD2-CB 3.91Å; L23-V92 HydrophobicContact CD2-CG2 3.66Å
24G94.4Very high90.9Very high5 Ų549.7 Ų49.75%0.05228%0.28CS..SBendtrans81.228.8173.600000115.2K48G24-K48 WeakPolarHBondContact O-CB 3.34Å; G24-K48 PolarHBondContact O-N 3.16Å
25F95.3Very high90Very high25 Ų2555.5 Ų55.511%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-150.2161.417162.3-90.3000111.6L16 L23 I27 V44 K46 I47 A53 L59 I65 F85 L94L16-F25 HydrophobicContact CD1-CE1 4Å; L23-F25 HydrophobicContact CB-CD1 3.91Å; L23-F25 HydrophobicContact CB-CE1 3.47Å; L23-F25 VanDerWaalsContact CB-CE1 3.47Å; L23-F25 HydrophobicContact CB-CZ 4.22Å; L23-F25 HydrophobicContact CD1-CE1 4.09Å; L23-F25 HydrophobicContact CD1-CZ 4.09Å; L23-F25 HydrophobicContact CG-CE1 4.41Å; F25-I27 HydrophobicContact CD2-CG2 3.87Å; F25-I27 HydrophobicContact CE2-CG2 3.58Å; F25-V44 HydrophobicContact CB-CG1 4.25Å; F25-V44 HydrophobicContact CD2-CG2 4.41Å; F25-K46 CarbonylContact C-O 3.52Å; F25-K46 WeakPolarHBondContact CA-O 3.39Å; F25-K46 WeakPolarHBondContact CB-O 3.43Å; F25-I47 HydrophobicContact CB-CD1 3.73Å; F25-A53 HydrophobicContact CB-CB 4.45Å; F25-A53 HydrophobicContact CD1-CB 3.75Å; F25-L59 HydrophobicContact CB-CD2 4.23Å; F25-L59 HydrophobicContact CD1-CD2 3.55Å; F25-L59 HydrophobicContact CD2-CD2 4.26Å; F25-L59 HydrophobicContact CE1-CD2 3.83Å; F25-L59 HydrophobicContact CG-CD2 3.77Å; F25-L59 HydrophobicContact CZ-CD2 4.32Å; F25-I65 HydrophobicContact CD2-CD1 4.4Å; F25-I65 HydrophobicContact CE2-CD1 3.59Å; F25-I65 HydrophobicContact CZ-CD1 4.1Å; F25-F85 AromaticContact CE2-CE1 3.93Å; F25-F85 HydrophobicContact CE2-CE1 3.93Å; F25-F85 HydrophobicContact CE2-CZ 4.18Å; F25-F85 HydrophobicContact CZ-CD1 4.13Å; F25-F85 AromaticContact CZ-CE1 3.57Å; F25-F85 HydrophobicContact CZ-CE1 3.57Å; F25-F85 HydrophobicContact CZ-CZ 4.22Å; F25-L94 HydrophobicContact CE1-CD1 3.89Å; F25-L94 HydrophobicContact CZ-CD1 3.79Å
26N94Very high89.2Confident92 Ų9252.9 Ų52.949%0.49229%0.293SS..EExtended strand (participates in β ladder)trans-104.8147.3174.1-68.22.4000110.2V44 S45 K46N26-V44 WeakPolarHBondContact O-CA 3.34Å; N26-S45 WeakPolarHBondContact CB-OG 3.4Å; N26-S45 PolarHBondContact O-N 3.23Å; N26-S45 PolarHBondContact O-OG 2.79Å; N26-K46 HydrophobicContact CB-CB 4.17Å; N26-K46 PolarHBondContact N-O 2.96Å
27I93.3Very high88.4Confident30 Ų3063.6 Ų63.615%0.15433%0.333CS..EExtended strand (participates in β ladder)trans-112.8153.4174.861.2165.6000111.2F25 V42 Y43 I65 V81 V82 F85F25-I27 HydrophobicContact CD2-CG2 3.87Å; F25-I27 HydrophobicContact CE2-CG2 3.58Å; I27-V42 HydrophobicContact CB-CG1 3.97Å; I27-V42 HydrophobicContact CD1-CG1 4.27Å; I27-V42 HydrophobicContact CG2-CG1 4.13Å; I27-Y43 CarbonylContact C-O 3.54Å; I27-Y43 VanDerWaalsContact CA-O 3.27Å; I27-Y43 WeakPolarHBondContact CA-O 3.47Å; I27-I65 HydrophobicContact CG2-CD1 4.06Å; I27-V81 HydrophobicContact CD1-CB 4.42Å; I27-V81 HydrophobicContact CD1-CG1 3.52Å; I27-V82 HydrophobicContact CD1-CG2 3.97Å; I27-F85 HydrophobicContact CD1-CD2 3.79Å; I27-F85 HydrophobicContact CD1-CE2 3.95Å; I27-F85 HydrophobicContact CG2-CE2 4.03Å; I27-F85 HydrophobicContact CG2-CZ 4.29Å
28I91.1Very high87.8Confident45 Ų4566 Ų6623%0.23135%0.346CS..EExtended strand (participates in β ladder)trans-139.2167.2167.957.9-179000108.1F35 V42 Y43I28-F35 HydrophobicContact CD1-CB 4.1Å; I28-F35 HydrophobicContact CD1-CD1 3.62Å; I28-F35 HydrophobicContact CD1-CD2 3.22Å; I28-F35 HydrophobicContact CD1-CE1 3.75Å; I28-F35 HydrophobicContact CD1-CE2 3.34Å; I28-F35 HydrophobicContact CD1-CG 3.35Å; I28-F35 HydrophobicContact CD1-CZ 3.6Å; I28-F35 HydrophobicContact CG1-CB 4.21Å; I28-F35 HydrophobicContact CG1-CD1 4.22Å; I28-F35 HydrophobicContact CG1-CD2 4.22Å; I28-F35 HydrophobicContact CG1-CG 3.95Å; I28-V42 CarbonylContact O-C 3.57Å; I28-V42 WeakPolarHBondContact O-CA 3.47Å; I28-Y43 PolarHBondContact N-O 2.86Å; I28-Y43 PolarHBondContact O-N 3.36Å
29G90.3Very high87.4Confident1 Ų165.3 Ų65.31%0.0135%0.346CS..EExtended strand (participates in β ladder)trans99.7-172.1-177.200000113.2Q33 G41 H78G29-Q33 CarbonylContact C-O 3.57Å; G29-Q33 WeakPolarHBondContact CA-O 3.49Å; G29-G41 CarbonylContact C-O 3.54Å; G29-G41 WeakPolarHBondContact CA-O 3.42Å; G29-H78 PolarHBondContact O-ND1 3.21Å
30G89.3Confident87.2Confident0 Ų066.3 Ų66.30%035%0.346CS..  trans107.5161.1-163.500000111.3D32 Q33 Q34 G41 R76G30-D32 PolarHBondContact O-N 2.86Å; G30-Q33 CarbonylContact O-C 3.3Å; G30-Q33 VanDerWaalsContact O-C 3.3Å; G30-Q33 PolarHBondContact O-N 3.02Å; G30-Q33 VanDerWaalsContact O-N 3.11Å; G30-Q34 PolarHBondContact O-N 3.39Å; G30-G41 PolarHBondContact N-O 2.95Å; G30-G41 VanDerWaalsContact N-O 3.07Å; G30-R76 VanDerWaalsContact CA-O 3.3Å; G30-R76 WeakPolarHBondContact CA-O 3.46Å
31I87.4Confident87.4Confident49 Ų4959.1 Ų59.125%0.25130%0.3SS..THydrogen-bonded Turntrans-63.5-27.1-173.662.6-178.7000113.4N40 N75 R76 Y77I31-N40 HydrophobicContact CB-CB 4.5Å; I31-N40 HydrophobicContact CG2-CB 3.67Å; I31-N75 VanDerWaalsContact CG2-CA 3.4Å; I31-N75 HydrophobicContact CG2-CB 4.19Å; I31-R76 PolarHBondContact N-O 3.45Å; I31-Y77 HydrophobicContact CD1-CD1 3.86Å; I31-Y77 HydrophobicContact CD1-CD2 3.75Å; I31-Y77 HydrophobicContact CD1-CE1 3.72Å; I31-Y77 HydrophobicContact CD1-CE2 3.61Å; I31-Y77 HydrophobicContact CD1-CG 3.87Å; I31-Y77 HydrophobicContact CG1-CD1 3.74Å; I31-Y77 HydrophobicContact CG1-CD2 4.37Å; I31-Y77 HydrophobicContact CG1-CE1 3.92Å; I31-Y77 HydrophobicContact CG1-CG 3.97Å
32D87Confident87.8Confident81 Ų8156.4 Ų56.443%0.43328%0.278SS..THydrogen-bonded Turntrans-93-12.6179.260.4-46.8000113G30 Y77 H78G30-D32 PolarHBondContact O-N 2.86Å; D32-Y77 HydrophobicContact CB-CD1 3.95Å; D32-Y77 HydrophobicContact CB-CE1 4.38Å; D32-Y77 WeakPolarHBondContact OD1-CA 3.29Å; D32-H78 WeakPolarHBondContact OD1-CB 3.14Å; D32-H78 PolarHBondContact OD1-N 2.82Å
33Q84.1Confident87.9Confident95 Ų9556.4 Ų56.444%0.44427%0.272SS..SBendtrans-134.652.9-176.8-62-173.421.900111.2G29 G30 F35 H78G29-Q33 CarbonylContact C-O 3.57Å; G29-Q33 WeakPolarHBondContact CA-O 3.49Å; G30-Q33 CarbonylContact O-C 3.3Å; G30-Q33 VanDerWaalsContact O-C 3.3Å; G30-Q33 PolarHBondContact O-N 3.02Å; G30-Q33 VanDerWaalsContact O-N 3.11Å; Q33-F35 PolarHBondContact O-N 3Å; Q33-H78 HydrophobicContact CB-CB 4.5Å; Q33-H78 HydrophobicContact CG-CB 4.17Å
34Q79.6Confident88Confident98 Ų9855.9 Ų55.946%0.45827%0.269SS..  trans-54.6115.5-178.5-70.2-176.4-4.600111.5G30 N40G30-Q34 PolarHBondContact O-N 3.39Å; Q34-N40 PolarHBondContact NE2-OD1 3.4Å
35F78.6Confident87.8Confident122 Ų12257.7 Ų57.754%0.53528%0.281SS..SBendtrans-83.5-37.6175.2177.7-119.8000111.9I28 Q33 Y43I28-F35 HydrophobicContact CD1-CB 4.1Å; I28-F35 HydrophobicContact CD1-CD1 3.62Å; I28-F35 HydrophobicContact CD1-CD2 3.22Å; I28-F35 HydrophobicContact CD1-CE1 3.75Å; I28-F35 HydrophobicContact CD1-CE2 3.34Å; I28-F35 HydrophobicContact CD1-CG 3.35Å; I28-F35 HydrophobicContact CD1-CZ 3.6Å; I28-F35 HydrophobicContact CG1-CB 4.21Å; I28-F35 HydrophobicContact CG1-CD1 4.22Å; I28-F35 HydrophobicContact CG1-CD2 4.22Å; I28-F35 HydrophobicContact CG1-CG 3.95Å; Q33-F35 PolarHBondContact O-N 3Å; F35-Y43 HydrophobicContact CB-CD2 4.03Å; F35-Y43 HydrophobicContact CB-CE2 4.26Å; F35-Y43 AromaticContact CD1-CD2 3.82Å; F35-Y43 HydrophobicContact CD1-CD2 3.82Å; F35-Y43 HydrophobicContact CD1-CE2 4.28Å; F35-Y43 AromaticContact CD1-CG 3.98Å; F35-Y43 HydrophobicContact CD1-CG 3.98Å; F35-Y43 HydrophobicContact CG-CD2 4.39Å
36V79.3Confident87.7Confident38 Ų3862.4 Ų62.423%0.2330%0.302CS..BIsolated β-bridgetrans-110134.6175.7172.90000107.9N38 D39 Y43V36-N38 PolarHBondContact O-N 2.96Å; V36-D39 HydrophobicContact CB-CB 3.93Å; V36-D39 HydrophobicContact CG1-CB 3.94Å; V36-D39 PolarHBondContact O-N 3.25Å; V36-Y43 HydrophobicContact CG2-CE1 4.22Å; V36-Y43 HydrophobicContact CG2-CE2 4.16Å
37R78.9Confident87.7Confident229 Ų22959.5 Ų59.586%0.86429%0.286SS*.THydrogen-bonded Turntrans-56.2127.5-179.5-76.9-172.9-177.3-92.51.5110.1D39R37-D39 PolarHBondContact O-N 3Å
38N81.6Confident87.7Confident156 Ų15663.4 Ų63.483%0.83430%0.302SS*.THydrogen-bonded Turntrans61.419.6-179-51.4-46.9000114.7V36V36-N38 PolarHBondContact O-N 2.96Å
39D83.8Confident87.8Confident43 Ų4370.1 Ų70.123%0.2333%0.332CS..BIsolated β-bridgetrans-122.9118.5170.1-167.7-14.9000109.9V36 R37 G41 Y43 K64V36-D39 HydrophobicContact CB-CB 3.93Å; V36-D39 HydrophobicContact CG1-CB 3.94Å; V36-D39 PolarHBondContact O-N 3.25Å; R37-D39 PolarHBondContact O-N 3Å; D39-G41 PolarHBondContact O-N 2.91Å; D39-G41 WeakPolarHBondContact OD1-CA 3.23Å; D39-G41 PolarHBondContact OD1-N 3.48Å; D39-Y43 WeakPolarHBondContact CB-OH 3.33Å; D39-Y43 PolarHBondContact OD2-OH 2.78Å; D39-K64 IonicContact OD1-NZ 2.71Å; D39-K64 PolarHBondContact OD1-NZ 2.91Å; D39-K64 IonicContact OD2-NZ 2.81Å; D39-K64 PolarHBondContact OD2-NZ 3.24Å
40N87.5Confident87.8Confident42 Ų4272.8 Ų72.823%0.22536%0.36CS..  trans-85.117.9177.9-65.1-27.8000112.8I31 Q34 N75I31-N40 HydrophobicContact CB-CB 4.5Å; I31-N40 HydrophobicContact CG2-CB 3.67Å; Q34-N40 PolarHBondContact NE2-OD1 3.4Å; N40-N75 PolarHBondContact ND2-OD1 3.48Å
41G90.4Very high87.9Confident2 Ų273.1 Ų73.12%0.02136%0.364CS..  trans-66.9162.9-178.100000114.3G29 G30 D39 Y43G29-G41 CarbonylContact C-O 3.54Å; G29-G41 WeakPolarHBondContact CA-O 3.42Å; G30-G41 PolarHBondContact N-O 2.95Å; G30-G41 VanDerWaalsContact N-O 3.07Å; D39-G41 PolarHBondContact O-N 2.91Å; D39-G41 WeakPolarHBondContact OD1-CA 3.23Å; D39-G41 PolarHBondContact OD1-N 3.48Å; G41-Y43 WeakPolarHBondContact O-CE2 3.4Å
42V93.4Very high88.3Confident1 Ų171.8 Ų71.81%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-106.4132.2169.8-179.10000108.4I27 I28 K64 I65 L73 V81I27-V42 HydrophobicContact CB-CG1 3.97Å; I27-V42 HydrophobicContact CD1-CG1 4.27Å; I27-V42 HydrophobicContact CG2-CG1 4.13Å; I28-V42 CarbonylContact O-C 3.57Å; I28-V42 WeakPolarHBondContact O-CA 3.47Å; V42-K64 CarbonylContact O-C 3.6Å; V42-K64 WeakPolarHBondContact O-CA 3.2Å; V42-I65 PolarHBondContact O-N 3.15Å; V42-L73 HydrophobicContact CB-CD1 4.42Å; V42-L73 HydrophobicContact CG2-CB 4.09Å; V42-L73 HydrophobicContact CG2-CD1 4.45Å; V42-V81 HydrophobicContact CB-CG1 4.4Å; V42-V81 HydrophobicContact CG1-CG1 3.84Å; V42-V81 HydrophobicContact CG2-CB 4.31Å; V42-V81 HydrophobicContact CG2-CG1 3.73Å; V42-V81 HydrophobicContact CG2-CG2 3.68Å
43Y93.6Very high88.6Confident17 Ų1768 Ų687%0.06734%0.338CS..EExtended strand (participates in β ladder)trans-128.1151.2-175.3-54.9-95.7000111.7I27 I28 F35 V36 D39 G41 S45 D63 K64I27-Y43 CarbonylContact C-O 3.54Å; I27-Y43 VanDerWaalsContact CA-O 3.27Å; I27-Y43 WeakPolarHBondContact CA-O 3.47Å; I28-Y43 PolarHBondContact N-O 2.86Å; I28-Y43 PolarHBondContact O-N 3.36Å; F35-Y43 HydrophobicContact CB-CD2 4.03Å; F35-Y43 HydrophobicContact CB-CE2 4.26Å; F35-Y43 AromaticContact CD1-CD2 3.82Å; F35-Y43 HydrophobicContact CD1-CD2 3.82Å; F35-Y43 HydrophobicContact CD1-CE2 4.28Å; F35-Y43 AromaticContact CD1-CG 3.98Å; F35-Y43 HydrophobicContact CD1-CG 3.98Å; F35-Y43 HydrophobicContact CG-CD2 4.39Å; V36-Y43 HydrophobicContact CG2-CE1 4.22Å; V36-Y43 HydrophobicContact CG2-CE2 4.16Å; D39-Y43 WeakPolarHBondContact CB-OH 3.33Å; D39-Y43 PolarHBondContact OD2-OH 2.78Å; G41-Y43 WeakPolarHBondContact O-CE2 3.4Å; Y43-S45 PolarHBondContact O-N 2.72Å; Y43-D63 CarbonylContact C-O 3.53Å; Y43-D63 VanDerWaalsContact CA-O 3.32Å; Y43-D63 WeakPolarHBondContact CA-O 3.36Å; Y43-K64 HydrophobicContact CD1-CB 3.84Å; Y43-K64 HydrophobicContact CD1-CG 4.18Å; Y43-K64 HydrophobicContact CE1-CB 3.82Å; Y43-K64 HydrophobicContact CE1-CD 4.04Å; Y43-K64 HydrophobicContact CE1-CG 3.91Å
44V94.5Very high89.1Confident2 Ų265.2 Ų65.21%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-76.8114.7170-1790000109F25 N26 I47 L59 G62 D63 I65F25-V44 HydrophobicContact CB-CG1 4.25Å; F25-V44 HydrophobicContact CD2-CG2 4.41Å; N26-V44 WeakPolarHBondContact O-CA 3.34Å; V44-I47 HydrophobicContact CG1-CD1 3.6Å; V44-I47 HydrophobicContact CG1-CG1 4.22Å; V44-L59 HydrophobicContact CG2-CD1 3.87Å; V44-L59 HydrophobicContact CG2-CD2 3.96Å; V44-L59 HydrophobicContact CG2-CG 3.97Å; V44-G62 PolarHBondContact O-N 3.28Å; V44-D63 HydrophobicContact CG2-CB 4.35Å; V44-D63 PolarHBondContact N-O 3Å; V44-I65 HydrophobicContact CG2-CD1 3.89Å; V44-I65 HydrophobicContact CG2-CG1 4Å
45S91.4Very high89.8Confident43 Ų4367.1 Ų67.130%0.30134%0.344SS..EExtended strand (participates in β ladder)trans-89.7-31.4177.661.90000113.1N26 Y43N26-S45 WeakPolarHBondContact CB-OG 3.4Å; N26-S45 PolarHBondContact O-N 3.23Å; N26-S45 PolarHBondContact O-OG 2.79Å; Y43-S45 PolarHBondContact O-N 2.72Å
46K92.8Very high90.6Very high124 Ų12464 Ų6454%0.53933%0.333SS..EExtended strand (participates in β ladder)trans-153.5139.6-178.7-169.1166.8-175.31720111.8F25 N26 E61F25-K46 CarbonylContact C-O 3.52Å; F25-K46 WeakPolarHBondContact CA-O 3.39Å; F25-K46 WeakPolarHBondContact CB-O 3.43Å; N26-K46 HydrophobicContact CB-CB 4.17Å; N26-K46 PolarHBondContact N-O 2.96Å; K46-E61 VanDerWaalsContact CA-OE1 3.31Å; K46-E61 WeakPolarHBondContact CA-OE1 3.2Å
47I93.3Very high91.3Very high31 Ų3164.5 Ų64.516%0.15935%0.346CS..EExtended strand (participates in β ladder)trans-97.2130.8166.7-60.7-62.3000109.1F25 V44 A53 A54 L59 E61F25-I47 HydrophobicContact CB-CD1 3.73Å; V44-I47 HydrophobicContact CG1-CD1 3.6Å; V44-I47 HydrophobicContact CG1-CG1 4.22Å; I47-A53 HydrophobicContact CD1-CB 4.28Å; I47-A54 HydrophobicContact CG2-CB 3.68Å; I47-L59 HydrophobicContact CD1-CB 4.26Å; I47-L59 HydrophobicContact CD1-CD2 3.84Å; I47-L59 HydrophobicContact CD1-CG 3.93Å; I47-E61 HydrophobicContact CG1-CG 4.02Å; I47-E61 PolarHBondContact N-OE1 2.92Å
48K93.4Very high92Very high112 Ų11258.6 Ų58.649%0.48732%0.324SS..PPolyproline II helixtrans-83.7118.8177.7-175.5-179.5177.5179.10109.6G24 G50 G51 A54G24-K48 WeakPolarHBondContact O-CB 3.34Å; G24-K48 PolarHBondContact O-N 3.16Å; K48-G50 PolarHBondContact O-N 3.43Å; K48-G51 PolarHBondContact O-N 3.34Å; K48-A54 VanDerWaalsContact O-CB 3.26Å; K48-A54 WeakPolarHBondContact O-CB 3.34Å
49E92.7Very high92.7Very high186 Ų18651.4 Ų51.487%0.86929%0.286SS*.THydrogen-bonded Turntrans-53.7134.2173.6-168.2179.5176.500111.4G51E49-G51 PolarHBondContact O-N 3.09Å; E49-G51 VanDerWaalsContact O-N 3.16Å
50G91.1Very high93.1Very high57 Ų5753.7 Ų53.759%0.58830%0.295SS*.THydrogen-bonded Turntrans68.62.8-175.700000115.4K48K48-G50 PolarHBondContact O-N 3.43Å
51G92.5Very high93.4Very high8 Ų856.1 Ų56.18%0.08231%0.305CS..SBendtrans-81.7166.6173.400000113K48 E49 A53 A54 L55K48-G51 PolarHBondContact O-N 3.34Å; E49-G51 PolarHBondContact O-N 3.09Å; E49-G51 VanDerWaalsContact O-N 3.16Å; G51-A53 VanDerWaalsContact C-N 3.32Å; G51-A53 PolarHBondContact O-N 3.4Å; G51-A54 WeakPolarHBondContact O-CB 3.41Å; G51-A54 PolarHBondContact O-N 3.44Å; G51-L55 WeakPolarHBondContact O-CG 3.26Å; G51-L55 PolarHBondContact O-N 3.1Å
52S93.9Very high93.4Very high21 Ų2157.7 Ų57.715%0.14732%0.321CS..Hα-helixtrans-53.7-44.7-177-55.80000113.5N17 G19 A54 L55 D56N17-S52 WeakPolarHBondContact O-CB 3.18Å; N17-S52 PolarHBondContact O-OG 3.37Å; G19-S52 PolarHBondContact N-OG 2.86Å; G19-S52 VanDerWaalsContact N-OG 3.16Å; S52-A54 PolarHBondContact O-N 3.5Å; S52-L55 PolarHBondContact O-N 3.35Å; S52-D56 WeakPolarHBondContact O-CB 3.32Å; S52-D56 PolarHBondContact O-N 3Å
53A94.7Very high93.4Very high0 Ų057.6 Ų57.60%032%0.321CS..Hα-helixtrans-64.8-36176.900000113.6L16 L23 F25 I47 G51 G57 L59L16-A53 HydrophobicContact CD1-CB 3.95Å; L23-A53 WeakPolarHBondContact O-CB 3.45Å; L23-A53 PolarHBondContact O-N 3Å; F25-A53 HydrophobicContact CB-CB 4.45Å; F25-A53 HydrophobicContact CD1-CB 3.75Å; I47-A53 HydrophobicContact CD1-CB 4.28Å; G51-A53 VanDerWaalsContact C-N 3.32Å; G51-A53 PolarHBondContact O-N 3.4Å; A53-G57 PolarHBondContact O-N 3.41Å; A53-L59 HydrophobicContact CB-CB 4.43Å; A53-L59 HydrophobicContact CB-CD2 3.96Å
54A94.4Very high93.4Very high38 Ų3857.8 Ų57.831%0.31432%0.322SS..Hα-helixtrans-70.2-39.5176.700000111.9I47 K48 G51 S52 G57I47-A54 HydrophobicContact CG2-CB 3.68Å; K48-A54 VanDerWaalsContact O-CB 3.26Å; K48-A54 WeakPolarHBondContact O-CB 3.34Å; G51-A54 WeakPolarHBondContact O-CB 3.41Å; G51-A54 PolarHBondContact O-N 3.44Å; S52-A54 PolarHBondContact O-N 3.5Å; A54-G57 PolarHBondContact O-N 3.32Å
55L93.8Very high93.5Very high138 Ų13857.8 Ų57.872%0.72332%0.322SS*.Hα-helixtrans-68.4-35177.7-66.3173.6000112.2G51 S52G51-L55 WeakPolarHBondContact O-CG 3.26Å; G51-L55 PolarHBondContact O-N 3.1Å; S52-L55 PolarHBondContact O-N 3.35Å
56D95.2Very high93.7Very high55 Ų5557.1 Ų57.129%0.29432%0.315SS..Hα-helixtrans-70.6-38.5172.4179.7-87.5000112.1L16 S52 R58L16-D56 HydrophobicContact CD2-CB 3.52Å; S52-D56 WeakPolarHBondContact O-CB 3.32Å; S52-D56 PolarHBondContact O-N 3Å; D56-R58 VanDerWaalsContact C-N 3.26Å; D56-R58 PolarHBondContact O-N 3.45Å; D56-R58 VanDerWaalsContact OD1-CB 3.26Å; D56-R58 WeakPolarHBondContact OD1-CB 3.34Å; D56-R58 WeakPolarHBondContact OD1-CG 3.5Å; D56-R58 IonicContact OD1-CZ 3.6Å; D56-R58 PolarHBondContact OD1-N 3.19Å; D56-R58 IonicContact OD1-NE 2.79Å; D56-R58 PolarHBondContact OD1-NE 2.83Å; D56-R58 IonicContact OD1-NH2 3.57Å; D56-R58 IonicContact OD2-CZ 3.38Å; D56-R58 IonicContact OD2-NE 3.23Å; D56-R58 PolarHBondContact OD2-NE 2.92Å; D56-R58 IonicContact OD2-NH2 2.72Å; D56-R58 PolarHBondContact OD2-NH2 2.76Å
57G94Very high93.9Very high50 Ų5051.7 Ų51.752%0.51529%0.293SS..  trans76.3-2.6170.200000116A53 A54A53-G57 PolarHBondContact O-N 3.41Å; A54-G57 PolarHBondContact O-N 3.32Å
58R94.5Very high94Very high104 Ų10450.4 Ų50.439%0.39229%0.286SS..  trans-85.4-26.4179.2-61.7178.5-71.1172.9-9.4113.8D13 I14 D56 K98D13-R58 PolarHBondContact O-NH1 2.83Å; I14-R58 HydrophobicContact CD1-CB 3.89Å; I14-R58 HydrophobicContact CG1-CB 4.25Å; D56-R58 VanDerWaalsContact C-N 3.26Å; D56-R58 PolarHBondContact O-N 3.45Å; D56-R58 VanDerWaalsContact OD1-CB 3.26Å; D56-R58 WeakPolarHBondContact OD1-CB 3.34Å; D56-R58 WeakPolarHBondContact OD1-CG 3.5Å; D56-R58 IonicContact OD1-CZ 3.6Å; D56-R58 PolarHBondContact OD1-N 3.19Å; D56-R58 IonicContact OD1-NE 2.79Å; D56-R58 PolarHBondContact OD1-NE 2.83Å; D56-R58 IonicContact OD1-NH2 3.57Å; D56-R58 IonicContact OD2-CZ 3.38Å; D56-R58 IonicContact OD2-NE 3.23Å; D56-R58 PolarHBondContact OD2-NE 2.92Å; D56-R58 IonicContact OD2-NH2 2.72Å; D56-R58 PolarHBondContact OD2-NH2 2.76Å; R58-K98 PolarHBondContact O-NZ 3.24Å
59L95Very high94.1Very high6 Ų648.5 Ų48.53%0.03128%0.282CS..  trans-87132179.6-168.470.8000110.5I14 F25 V44 I47 A53 D63 V96I14-L59 HydrophobicContact CD1-CB 4.02Å; I14-L59 HydrophobicContact CD1-CD1 4.01Å; F25-L59 HydrophobicContact CB-CD2 4.23Å; F25-L59 HydrophobicContact CD1-CD2 3.55Å; F25-L59 HydrophobicContact CD2-CD2 4.26Å; F25-L59 HydrophobicContact CE1-CD2 3.83Å; F25-L59 HydrophobicContact CG-CD2 3.77Å; F25-L59 HydrophobicContact CZ-CD2 4.32Å; V44-L59 HydrophobicContact CG2-CD1 3.87Å; V44-L59 HydrophobicContact CG2-CD2 3.96Å; V44-L59 HydrophobicContact CG2-CG 3.97Å; I47-L59 HydrophobicContact CD1-CB 4.26Å; I47-L59 HydrophobicContact CD1-CD2 3.84Å; I47-L59 HydrophobicContact CD1-CG 3.93Å; A53-L59 HydrophobicContact CB-CB 4.43Å; A53-L59 HydrophobicContact CB-CD2 3.96Å; L59-D63 HydrophobicContact CD1-CB 4.41Å; L59-V96 HydrophobicContact CD1-CG1 3.96Å; L59-V96 HydrophobicContact CD1-CG2 3.85Å
60E94Very high94.1Very high90 Ų9042.9 Ų42.942%0.42127%0.274SS..  trans-128.8157.8-177.8-65.6173.3148.300112G62 D63 K98E60-G62 PolarHBondContact O-N 3.08Å; E60-D63 PolarHBondContact N-OD2 3.36Å; E60-D63 VanDerWaalsContact O-CB 3.28Å; E60-D63 WeakPolarHBondContact O-CB 3.31Å; E60-D63 VanDerWaalsContact O-CG 3.3Å; E60-D63 PolarHBondContact O-N 2.91Å; E60-K98 WeakPolarHBondContact OE2-CE 3.47Å; E60-K98 IonicContact OE2-NZ 3.19Å; E60-K98 PolarHBondContact OE2-NZ 2.94Å
61E92.6Very high94.3Very high93 Ų9342.9 Ų42.944%0.43526%0.262SS..THydrogen-bonded Turntrans-62.9134.4172.7-59.7-176.6177.600111.2K46 I47 K99K46-E61 VanDerWaalsContact CA-OE1 3.31Å; K46-E61 WeakPolarHBondContact CA-OE1 3.2Å; I47-E61 HydrophobicContact CG1-CG 4.02Å; I47-E61 PolarHBondContact N-OE1 2.92Å; E61-K99 PolarHBondContact O-NZ 3.11Å
62G90.4Very high94.3Very high35 Ų3544.9 Ų44.936%0.36128%0.275SS..THydrogen-bonded Turntrans89.3-5.2-174.200000114.7V44 E60V44-G62 PolarHBondContact O-N 3.28Å; E60-G62 PolarHBondContact O-N 3.08Å
63D93.8Very high94.3Very high0 Ų044 Ų440%027%0.268CS..PPolyproline II helixtrans-67.9143172.7-73.8-18.2000111.3Y43 V44 L59 E60 V96 K98 K99Y43-D63 CarbonylContact C-O 3.53Å; Y43-D63 VanDerWaalsContact CA-O 3.32Å; Y43-D63 WeakPolarHBondContact CA-O 3.36Å; V44-D63 HydrophobicContact CG2-CB 4.35Å; V44-D63 PolarHBondContact N-O 3Å; L59-D63 HydrophobicContact CD1-CB 4.41Å; E60-D63 PolarHBondContact N-OD2 3.36Å; E60-D63 VanDerWaalsContact O-CB 3.28Å; E60-D63 WeakPolarHBondContact O-CB 3.31Å; E60-D63 VanDerWaalsContact O-CG 3.3Å; E60-D63 PolarHBondContact O-N 2.91Å; D63-V96 HydrophobicContact CB-CG1 3.58Å; D63-K98 WeakPolarHBondContact OD1-CA 3.2Å; D63-K98 IonicContact OD1-NZ 2.92Å; D63-K98 PolarHBondContact OD1-NZ 2.82Å; D63-K98 WeakPolarHBondContact OD2-CE 3.35Å; D63-K98 IonicContact OD2-NZ 2.76Å; D63-K98 PolarHBondContact OD2-NZ 2.99Å; D63-K99 PolarHBondContact OD1-N 2.96Å; D63-K99 VanDerWaalsContact OD1-N 3.13Å
64K94.4Very high94.1Very high21 Ų2149 Ų499%0.09129%0.292CS..EExtended strand (participates in β ladder)trans-94.5125.7176.2-176.4178.1-175.9164.90109.7D39 V42 Y43 L66 V96 M97D39-K64 IonicContact OD1-NZ 2.71Å; D39-K64 PolarHBondContact OD1-NZ 2.91Å; D39-K64 IonicContact OD2-NZ 2.81Å; D39-K64 PolarHBondContact OD2-NZ 3.24Å; V42-K64 CarbonylContact O-C 3.6Å; V42-K64 WeakPolarHBondContact O-CA 3.2Å; Y43-K64 HydrophobicContact CD1-CB 3.84Å; Y43-K64 HydrophobicContact CD1-CG 4.18Å; Y43-K64 HydrophobicContact CE1-CB 3.82Å; Y43-K64 HydrophobicContact CE1-CD 4.04Å; Y43-K64 HydrophobicContact CE1-CG 3.91Å; K64-L66 HydrophobicContact CD-CD2 3.98Å; K64-L66 HydrophobicContact CG-CD2 4.07Å; K64-V96 CarbonylContact O-C 3.59Å; K64-V96 WeakPolarHBondContact O-CA 3.48Å; K64-M97 HydrophobicContact CB-CB 4.29Å; K64-M97 HydrophobicContact CB-CE 4.15Å; K64-M97 HydrophobicContact CD-CE 3.75Å; K64-M97 PolarHBondContact N-O 2.88Å; K64-M97 PolarHBondContact O-N 2.89Å
65I96.1Very high93.8Very high2 Ų252.3 Ų52.31%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-91.4119.3175.4-47.8177.3000108.2F25 I27 V42 V44 L73 F85 L94F25-I65 HydrophobicContact CD2-CD1 4.4Å; F25-I65 HydrophobicContact CE2-CD1 3.59Å; F25-I65 HydrophobicContact CZ-CD1 4.1Å; I27-I65 HydrophobicContact CG2-CD1 4.06Å; V42-I65 PolarHBondContact O-N 3.15Å; V44-I65 HydrophobicContact CG2-CD1 3.89Å; V44-I65 HydrophobicContact CG2-CG1 4Å; I65-L73 HydrophobicContact CB-CD1 4.15Å; I65-L73 HydrophobicContact CG2-CD1 3.73Å; I65-F85 HydrophobicContact CD1-CE1 4.37Å; I65-F85 HydrophobicContact CD1-CZ 3.68Å; I65-F85 HydrophobicContact CG2-CZ 4.19Å; I65-L94 HydrophobicContact CG2-CD2 4.43Å
66L95.3Very high93.7Very high29 Ų2950.1 Ų50.115%0.15229%0.286CS..EExtended strand (participates in β ladder)trans-93.1-36.7-177.5-57.4176.3000111.9L11 K64 S72 L73 R95 M97L11-L66 HydrophobicContact CD2-CD1 3.5Å; L11-L66 VanDerWaalsContact CD2-CD1 3.5Å; K64-L66 HydrophobicContact CD-CD2 3.98Å; K64-L66 HydrophobicContact CG-CD2 4.07Å; L66-S72 WeakPolarHBondContact O-CA 3.34Å; L66-L73 PolarHBondContact O-N 3.34Å; L66-R95 HydrophobicContact CB-CG 4.36Å; L66-R95 HydrophobicContact CD1-CG 4.36Å; L66-R95 PolarHBondContact N-O 2.96Å; L66-M97 HydrophobicContact CD1-CB 4.11Å; L66-M97 HydrophobicContact CD2-CB 4.5Å; L66-M97 HydrophobicContact CG-CB 4.3Å
67A96.4Very high93.5Very high10 Ų1053.6 Ų53.68%0.08330%0.296CS..EExtended strand (participates in β ladder)trans-151.5154.6-178.300000112.8V71 L94 R95A67-V71 CarbonylContact C-O 3.54Å; A67-V71 WeakPolarHBondContact CA-O 3.41Å; A67-V71 VanDerWaalsContact CB-O 3.29Å; A67-V71 WeakPolarHBondContact CB-O 3.45Å; A67-L94 WeakPolarHBondContact O-CA 3.26Å; A67-R95 HydrophobicContact CB-CB 4.01Å; A67-R95 PolarHBondContact N-O 3.47Å; A67-R95 PolarHBondContact O-N 3.28Å
68I96.2Very high93.3Very high3 Ų352.9 Ų52.92%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-127.6126.1172.7-174.6174.3000109.7G70 V71 L73 L84 F85 A88 V92 H93 L94I68-G70 PolarHBondContact O-N 2.98Å; I68-G70 VanDerWaalsContact O-N 3.08Å; I68-V71 PolarHBondContact N-O 2.93Å; I68-V71 WeakPolarHBondContact O-CB 3.36Å; I68-V71 PolarHBondContact O-N 3.34Å; I68-L73 HydrophobicContact CG2-CD2 3.7Å; I68-L73 HydrophobicContact CG2-CG 4.29Å; I68-L84 HydrophobicContact CG2-CB 3.89Å; I68-L84 HydrophobicContact CG2-CD1 4.37Å; I68-F85 HydrophobicContact CD1-CB 4.36Å; I68-F85 HydrophobicContact CD1-CD1 3.37Å; I68-F85 HydrophobicContact CD1-CE1 3.64Å; I68-F85 HydrophobicContact CD1-CG 3.86Å; I68-F85 HydrophobicContact CD1-CZ 4.34Å; I68-F85 HydrophobicContact CG1-CE1 4.46Å; I68-A88 HydrophobicContact CD1-CB 3.47Å; I68-A88 VanDerWaalsContact CD1-CB 3.47Å; I68-A88 HydrophobicContact CG1-CB 4.02Å; I68-V92 HydrophobicContact CD1-CG1 3.75Å; I68-V92 HydrophobicContact CG1-CG1 3.6Å; I68-H93 CarbonylContact C-O 3.56Å; I68-H93 WeakPolarHBondContact CA-O 3.46Å; I68-L94 HydrophobicContact CB-CD2 4.19Å; I68-L94 HydrophobicContact CD1-CD2 4.34Å; I68-L94 HydrophobicContact CG1-CD2 3.92Å
69N94.6Very high93.2Very high73 Ų7351.3 Ų51.339%0.3928%0.284SS..THydrogen-bonded Turntrans49.535.5-177.5-65-8.6000113.3V71 A88 V92 H93N69-V71 VanDerWaalsContact C-N 3.3Å; N69-V71 PolarHBondContact O-N 3.41Å; N69-A88 WeakPolarHBondContact ND2-CB 3.35Å; N69-A88 PolarHBondContact ND2-O 2.86Å; N69-V92 WeakPolarHBondContact OD1-CA 3.37Å; N69-H93 PolarHBondContact N-O 2.77Å; N69-H93 PolarHBondContact OD1-N 3.36Å
70G93.3Very high93.1Very high68 Ų6853.8 Ų53.870%0.70130%0.298SS*.THydrogen-bonded Turntrans83.4-6.7-177.100000115.4I68I68-G70 PolarHBondContact O-N 2.98Å; I68-G70 VanDerWaalsContact O-N 3.08Å
71V94.3Very high93.1Very high57 Ų5749.5 Ų49.535%0.34528%0.278SS..EExtended strand (participates in β ladder)trans-87.9120.1175.9-176.50000109.9A67 I68 N69 L84A67-V71 CarbonylContact C-O 3.54Å; A67-V71 WeakPolarHBondContact CA-O 3.41Å; A67-V71 VanDerWaalsContact CB-O 3.29Å; A67-V71 WeakPolarHBondContact CB-O 3.45Å; I68-V71 PolarHBondContact N-O 2.93Å; I68-V71 WeakPolarHBondContact O-CB 3.36Å; I68-V71 PolarHBondContact O-N 3.34Å; N69-V71 VanDerWaalsContact C-N 3.3Å; N69-V71 PolarHBondContact O-N 3.41Å; V71-L84 HydrophobicContact CG1-CD1 4.14Å; V71-L84 HydrophobicContact CG1-CD2 4.33Å
72S94.3Very high93.1Very high50 Ų5046.9 Ų46.935%0.3527%0.268SS..EExtended strand (participates in β ladder)trans-63.8138.6175.7-178.70000111.5L66 E74 R76L66-S72 WeakPolarHBondContact O-CA 3.34Å; S72-E74 PolarHBondContact OG-N 3.42Å; S72-R76 PolarHBondContact O-NE 3.02Å; S72-R76 PolarHBondContact O-NH2 2.81Å
73L93.1Very high93.2Very high2 Ų251.3 Ų51.31%0.0128%0.279CS..  trans-97-3175.4-61.3-177.8000112.9V42 I65 L66 I68 V81 L84 F85V42-L73 HydrophobicContact CB-CD1 4.42Å; V42-L73 HydrophobicContact CG2-CB 4.09Å; V42-L73 HydrophobicContact CG2-CD1 4.45Å; I65-L73 HydrophobicContact CB-CD1 4.15Å; I65-L73 HydrophobicContact CG2-CD1 3.73Å; L66-L73 PolarHBondContact O-N 3.34Å; I68-L73 HydrophobicContact CG2-CD2 3.7Å; I68-L73 HydrophobicContact CG2-CG 4.29Å; L73-V81 HydrophobicContact CD1-CG1 4.21Å; L73-V81 HydrophobicContact CD2-CG1 4.22Å; L73-V81 HydrophobicContact CD2-CG2 4.33Å; L73-L84 HydrophobicContact CD2-CD1 3.56Å; L73-F85 HydrophobicContact CD1-CE2 3.84Å; L73-F85 HydrophobicContact CD1-CZ 3.97Å
74E89.7Confident93.3Very high106 Ų10653.3 Ų53.350%0.49529%0.289SS..THydrogen-bonded Turntrans-64138.5179.7-66-173.9138.300111.6S72 R76S72-E74 PolarHBondContact OG-N 3.42Å; E74-R76 PolarHBondContact O-N 3.49Å
75N89Confident93.2Very high107 Ų10753.1 Ų53.157%0.57229%0.289SS*.THydrogen-bonded Turntrans56.332.3177.1-57.9-55.5000114.6I31 N40I31-N75 VanDerWaalsContact CG2-CA 3.4Å; I31-N75 HydrophobicContact CG2-CB 4.19Å; N40-N75 PolarHBondContact ND2-OD1 3.48Å
76R90.9Very high93Very high91 Ų9162.3 Ų62.334%0.34332%0.323SS..  trans-101.4153.3173.8-64.8-166.1-178.9-85.9-3.6112.2G30 I31 S72 E74 V81G30-R76 VanDerWaalsContact CA-O 3.3Å; G30-R76 WeakPolarHBondContact CA-O 3.46Å; I31-R76 PolarHBondContact N-O 3.45Å; S72-R76 PolarHBondContact O-NE 3.02Å; S72-R76 PolarHBondContact O-NH2 2.81Å; E74-R76 PolarHBondContact O-N 3.49Å; R76-V81 HydrophobicContact CB-CG2 3.78Å
77Y91.8Very high92.8Very high128 Ų12865 Ų6550%0.50234%0.344SS..  trans-65.8147.5167.6-70.8-83.7000110.3I31 D32 S79 D80 V81I31-Y77 HydrophobicContact CD1-CD1 3.86Å; I31-Y77 HydrophobicContact CD1-CD2 3.75Å; I31-Y77 HydrophobicContact CD1-CE1 3.72Å; I31-Y77 HydrophobicContact CD1-CE2 3.61Å; I31-Y77 HydrophobicContact CD1-CG 3.87Å; I31-Y77 HydrophobicContact CG1-CD1 3.74Å; I31-Y77 HydrophobicContact CG1-CD2 4.37Å; I31-Y77 HydrophobicContact CG1-CE1 3.92Å; I31-Y77 HydrophobicContact CG1-CG 3.97Å; D32-Y77 HydrophobicContact CB-CD1 3.95Å; D32-Y77 HydrophobicContact CB-CE1 4.38Å; D32-Y77 WeakPolarHBondContact OD1-CA 3.29Å; Y77-S79 PolarHBondContact O-N 3.42Å; Y77-D80 PolarHBondContact O-N 2.84Å; Y77-D80 VanDerWaalsContact O-N 3.09Å; Y77-V81 WeakPolarHBondContact O-CG2 3.48Å; Y77-V81 PolarHBondContact O-N 3.25Å; Y77-V81 VanDerWaalsContact O-N 3.16Å
78H90.5Very high92.5Very high36 Ų3665.1 Ų65.117%0.16735%0.345CS..Hα-helixtrans-54.9-39.9178.3-174.982.7000112G29 D32 Q33 D80 V81 V82G29-H78 PolarHBondContact O-ND1 3.21Å; D32-H78 WeakPolarHBondContact OD1-CB 3.14Å; D32-H78 PolarHBondContact OD1-N 2.82Å; Q33-H78 HydrophobicContact CB-CB 4.5Å; Q33-H78 HydrophobicContact CG-CB 4.17Å; H78-D80 VanDerWaalsContact C-N 3.35Å; H78-D80 PolarHBondContact O-N 2.83Å; H78-V81 PolarHBondContact O-N 2.76Å; H78-V82 WeakPolarHBondContact O-CG2 3.41Å; H78-V82 PolarHBondContact O-N 3.33Å
79S92.6Very high92.3Very high70 Ų7066.6 Ų66.649%0.4936%0.361SS..Hα-helixtrans-56.2-46.6176.151.50000112.7Y77 V81 V82 E83Y77-S79 PolarHBondContact O-N 3.42Å; S79-V81 VanDerWaalsContact C-N 3.34Å; S79-V81 PolarHBondContact O-N 3.48Å; S79-V82 WeakPolarHBondContact O-CB 3.38Å; S79-V82 PolarHBondContact O-N 2.8Å; S79-E83 PolarHBondContact O-N 2.91Å
80D92.8Very high92.3Very high59 Ų5968.8 Ų68.832%0.31637%0.369SS..Hα-helixtrans-68.2-40-176-55.9-7.1000110.1Y77 H78 E83 L84Y77-D80 PolarHBondContact O-N 2.84Å; Y77-D80 VanDerWaalsContact O-N 3.09Å; H78-D80 VanDerWaalsContact C-N 3.35Å; H78-D80 PolarHBondContact O-N 2.83Å; D80-E83 PolarHBondContact O-N 2.71Å; D80-L84 VanDerWaalsContact O-CG 3.32Å; D80-L84 WeakPolarHBondContact O-CG 3.31Å; D80-L84 PolarHBondContact O-N 3.2Å
81V92.4Very high92.3Very high0 Ų070.9 Ų70.90%036%0.364CS..Hα-helixtrans-60.4-47.8174.6176.90000110.1I27 V42 L73 R76 Y77 H78 S79 E83 L84 F85I27-V81 HydrophobicContact CD1-CB 4.42Å; I27-V81 HydrophobicContact CD1-CG1 3.52Å; V42-V81 HydrophobicContact CB-CG1 4.4Å; V42-V81 HydrophobicContact CG1-CG1 3.84Å; V42-V81 HydrophobicContact CG2-CB 4.31Å; V42-V81 HydrophobicContact CG2-CG1 3.73Å; V42-V81 HydrophobicContact CG2-CG2 3.68Å; L73-V81 HydrophobicContact CD1-CG1 4.21Å; L73-V81 HydrophobicContact CD2-CG1 4.22Å; L73-V81 HydrophobicContact CD2-CG2 4.33Å; R76-V81 HydrophobicContact CB-CG2 3.78Å; Y77-V81 WeakPolarHBondContact O-CG2 3.48Å; Y77-V81 PolarHBondContact O-N 3.25Å; Y77-V81 VanDerWaalsContact O-N 3.16Å; H78-V81 PolarHBondContact O-N 2.76Å; S79-V81 VanDerWaalsContact C-N 3.34Å; S79-V81 PolarHBondContact O-N 3.48Å; V81-E83 VanDerWaalsContact C-N 3.3Å; V81-E83 PolarHBondContact O-N 2.81Å; V81-L84 WeakPolarHBondContact O-CB 3.27Å; V81-L84 PolarHBondContact O-N 3.48Å; V81-F85 HydrophobicContact CG1-CD2 3.83Å; V81-F85 HydrophobicContact CG1-CE2 3.64Å; V81-F85 WeakPolarHBondContact O-CD2 3.5Å; V81-F85 PolarHBondContact O-N 3.16Å
82V93.2Very high92.4Very high37 Ų3768.2 Ų68.222%0.22435%0.348CS..Hα-helixtrans-59.6-41.7177168.90000111.2I27 H78 S79 F85 R86I27-V82 HydrophobicContact CD1-CG2 3.97Å; H78-V82 WeakPolarHBondContact O-CG2 3.41Å; H78-V82 PolarHBondContact O-N 3.33Å; S79-V82 WeakPolarHBondContact O-CB 3.38Å; S79-V82 PolarHBondContact O-N 2.8Å; V82-F85 PolarHBondContact O-N 3.5Å; V82-R86 VanDerWaalsContact O-CG 3.31Å; V82-R86 WeakPolarHBondContact O-CG 3.4Å; V82-R86 PolarHBondContact O-N 3.09Å
83E93.7Very high92.6Very high129 Ų12968.4 Ų68.460%0.60334%0.343SS*.Hα-helixtrans-64.5-41.2177.1-172.5172.7-172.700112.2S79 D80 V81 F85 R86 S87S79-E83 PolarHBondContact O-N 2.91Å; D80-E83 PolarHBondContact O-N 2.71Å; V81-E83 VanDerWaalsContact C-N 3.3Å; V81-E83 PolarHBondContact O-N 2.81Å; E83-F85 PolarHBondContact O-N 2.97Å; E83-R86 PolarHBondContact O-N 3.44Å; E83-R86 VanDerWaalsContact O-N 3.15Å; E83-S87 WeakPolarHBondContact O-CB 3.33Å; E83-S87 PolarHBondContact O-N 2.99Å; E83-S87 PolarHBondContact O-OG 3.37Å
84L94.1Very high92.8Very high41 Ų4168.3 Ų68.322%0.21534%0.343CS..Hα-helixtrans-59.9-45.2173.7-71.5169.8000111.2I68 V71 L73 D80 V81 R86 S87 A88I68-L84 HydrophobicContact CG2-CB 3.89Å; I68-L84 HydrophobicContact CG2-CD1 4.37Å; V71-L84 HydrophobicContact CG1-CD1 4.14Å; V71-L84 HydrophobicContact CG1-CD2 4.33Å; L73-L84 HydrophobicContact CD2-CD1 3.56Å; D80-L84 VanDerWaalsContact O-CG 3.32Å; D80-L84 WeakPolarHBondContact O-CG 3.31Å; D80-L84 PolarHBondContact O-N 3.2Å; V81-L84 WeakPolarHBondContact O-CB 3.27Å; V81-L84 PolarHBondContact O-N 3.48Å; L84-R86 VanDerWaalsContact C-N 3.28Å; L84-R86 PolarHBondContact O-N 3.43Å; L84-S87 PolarHBondContact O-N 3.26Å; L84-S87 PolarHBondContact O-OG 2.96Å; L84-A88 VanDerWaalsContact O-CB 3.23Å; L84-A88 WeakPolarHBondContact O-CB 3.4Å; L84-A88 PolarHBondContact O-N 3.07Å
85F93.2Very high93.1Very high18 Ų1868.8 Ų68.88%0.07934%0.34CS..Hα-helixtrans-65-30.2175.4-80.9-72.3000113.6R18 L23 F25 I27 I65 I68 L73 V81 V82 E83 L94R18-F85 PolarHBondContact NH2-O 3.36Å; L23-F85 HydrophobicContact CD1-CD1 3.6Å; L23-F85 HydrophobicContact CD1-CE1 4.22Å; F25-F85 AromaticContact CE2-CE1 3.93Å; F25-F85 HydrophobicContact CE2-CE1 3.93Å; F25-F85 HydrophobicContact CE2-CZ 4.18Å; F25-F85 HydrophobicContact CZ-CD1 4.13Å; F25-F85 AromaticContact CZ-CE1 3.57Å; F25-F85 HydrophobicContact CZ-CE1 3.57Å; F25-F85 HydrophobicContact CZ-CZ 4.22Å; I27-F85 HydrophobicContact CD1-CD2 3.79Å; I27-F85 HydrophobicContact CD1-CE2 3.95Å; I27-F85 HydrophobicContact CG2-CE2 4.03Å; I27-F85 HydrophobicContact CG2-CZ 4.29Å; I65-F85 HydrophobicContact CD1-CE1 4.37Å; I65-F85 HydrophobicContact CD1-CZ 3.68Å; I65-F85 HydrophobicContact CG2-CZ 4.19Å; I68-F85 HydrophobicContact CD1-CB 4.36Å; I68-F85 HydrophobicContact CD1-CD1 3.37Å; I68-F85 HydrophobicContact CD1-CE1 3.64Å; I68-F85 HydrophobicContact CD1-CG 3.86Å; I68-F85 HydrophobicContact CD1-CZ 4.34Å; I68-F85 HydrophobicContact CG1-CE1 4.46Å; L73-F85 HydrophobicContact CD1-CE2 3.84Å; L73-F85 HydrophobicContact CD1-CZ 3.97Å; V81-F85 HydrophobicContact CG1-CD2 3.83Å; V81-F85 HydrophobicContact CG1-CE2 3.64Å; V81-F85 WeakPolarHBondContact O-CD2 3.5Å; V81-F85 PolarHBondContact O-N 3.16Å; V82-F85 PolarHBondContact O-N 3.5Å; E83-F85 PolarHBondContact O-N 2.97Å; F85-L94 HydrophobicContact CE1-CD2 3.68Å; F85-L94 HydrophobicContact CZ-CD2 4.33Å
86R91.1Very high93.5Very high195 Ų19563.7 Ų63.774%0.73631%0.313SS*.Hα-helixtrans-75.6-38.6176.2-75.3175.8124.8131.5-0.7112.4V82 E83 L84V82-R86 VanDerWaalsContact O-CG 3.31Å; V82-R86 WeakPolarHBondContact O-CG 3.4Å; V82-R86 PolarHBondContact O-N 3.09Å; E83-R86 PolarHBondContact O-N 3.44Å; E83-R86 VanDerWaalsContact O-N 3.15Å; L84-R86 VanDerWaalsContact C-N 3.28Å; L84-R86 PolarHBondContact O-N 3.43Å
87S92.6Very high93.6Very high85 Ų8562 Ų6259%0.59431%0.309SS*.Hα-helixtrans-90.2-7.5-176.159.40000114.5E83 L84 G89E83-S87 WeakPolarHBondContact O-CB 3.33Å; E83-S87 PolarHBondContact O-N 2.99Å; E83-S87 PolarHBondContact O-OG 3.37Å; L84-S87 PolarHBondContact O-N 3.26Å; L84-S87 PolarHBondContact O-OG 2.96Å; S87-G89 PolarHBondContact O-N 2.84Å
88A90.1Very high93.6Very high12 Ų1256.9 Ų56.910%0.09929%0.29CS..SBendtrans-63.80.1-178.400000116.2I68 N69 L84 V92I68-A88 HydrophobicContact CD1-CB 3.47Å; I68-A88 VanDerWaalsContact CD1-CB 3.47Å; I68-A88 HydrophobicContact CG1-CB 4.02Å; N69-A88 WeakPolarHBondContact ND2-CB 3.35Å; N69-A88 PolarHBondContact ND2-O 2.86Å; L84-A88 VanDerWaalsContact O-CB 3.23Å; L84-A88 WeakPolarHBondContact O-CB 3.4Å; L84-A88 PolarHBondContact O-N 3.07Å; A88-V92 HydrophobicContact CB-CG1 4.13Å; A88-V92 HydrophobicContact CB-CG2 3.7Å
89G92.1Very high93.3Very high34 Ų3460.8 Ų60.835%0.35131%0.306SS..  trans71-158.8178.300000113.7R18 S87R18-G89 PolarHBondContact NE-O 3.17Å; R18-G89 PolarHBondContact NH2-O 3.35Å; S87-G89 PolarHBondContact O-N 2.84Å
90E93.1Very high92.5Very high120 Ų12060.4 Ų60.456%0.56130%0.301SS*.SBendtrans-81-39.2-175.9-65.4-58.6116.400112.9N17 R18N17-E90 CarbonylContact C-O 3.51Å; N17-E90 WeakPolarHBondContact CA-O 3.28Å; R18-E90 PolarHBondContact N-O 3.04Å
91N94.7Very high90.8Very high111 Ų11162.4 Ų62.459%0.59433%0.325SS*.EExtended strand (participates in β ladder)trans-102.4113.7177.9-64.1-58.3000109.2N17N17-N91 PolarHBondContact ND2-OD1 3.4Å; N17-N91 PolarHBondContact OD1-OD1 3.45Å
92V96.2Very high88.9Confident1 Ų164.8 Ų64.81%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-116.2119.2-175.4-176.30000110.2N15 L16 L23 I68 N69 A88 L94N15-V92 WeakPolarHBondContact CA-O 3.32Å; L16-V92 PolarHBondContact N-O 3.21Å; L16-V92 PolarHBondContact O-N 2.84Å; L23-V92 HydrophobicContact CD1-CB 4.42Å; L23-V92 HydrophobicContact CD1-CG1 4.14Å; L23-V92 HydrophobicContact CD1-CG2 4.26Å; L23-V92 HydrophobicContact CD2-CB 3.91Å; L23-V92 HydrophobicContact CD2-CG2 3.66Å; I68-V92 HydrophobicContact CD1-CG1 3.75Å; I68-V92 HydrophobicContact CG1-CG1 3.6Å; N69-V92 WeakPolarHBondContact OD1-CA 3.37Å; A88-V92 HydrophobicContact CB-CG1 4.13Å; A88-V92 HydrophobicContact CB-CG2 3.7Å; V92-L94 HydrophobicContact CG1-CD2 3.63Å; V92-L94 HydrophobicContact CG1-CG 4.18Å
93H97.3Very high86.6Confident55 Ų5567.6 Ų67.626%0.25536%0.364SS..EExtended strand (participates in β ladder)trans-95.5115.3174.1176-75.4000109.9D13 I14 N15 I68 N69D13-H93 IonicContact OD1-CE1 3.32Å; D13-H93 PolarHBondContact OD1-CE1 3.13Å; D13-H93 IonicContact OD1-NE2 3.6Å; I14-H93 CarbonylContact O-C 3.58Å; N15-H93 WeakPolarHBondContact OD1-CB 3.42Å; N15-H93 PolarHBondContact OD1-CD2 2.81Å; I68-H93 CarbonylContact C-O 3.56Å; I68-H93 WeakPolarHBondContact CA-O 3.46Å; N69-H93 PolarHBondContact N-O 2.77Å; N69-H93 PolarHBondContact OD1-N 3.36Å
94L97.4Very high84.6Confident0 Ų068.6 Ų68.60%037%0.372CS..EExtended strand (participates in β ladder)trans-105132178-55.7179.5000110.3D13 I14 L16 F25 I65 A67 I68 F85 V92 V96D13-L94 CarbonylContact C-O 3.5Å; D13-L94 WeakPolarHBondContact CA-O 3.35Å; I14-L94 HydrophobicContact CB-CB 4.45Å; I14-L94 PolarHBondContact N-O 3.05Å; I14-L94 PolarHBondContact O-N 2.89Å; L16-L94 HydrophobicContact CD1-CD1 3.91Å; F25-L94 HydrophobicContact CE1-CD1 3.89Å; F25-L94 HydrophobicContact CZ-CD1 3.79Å; I65-L94 HydrophobicContact CG2-CD2 4.43Å; A67-L94 WeakPolarHBondContact O-CA 3.26Å; I68-L94 HydrophobicContact CB-CD2 4.19Å; I68-L94 HydrophobicContact CD1-CD2 4.34Å; I68-L94 HydrophobicContact CG1-CD2 3.92Å; F85-L94 HydrophobicContact CE1-CD2 3.68Å; F85-L94 HydrophobicContact CZ-CD2 4.33Å; V92-L94 HydrophobicContact CG1-CD2 3.63Å; V92-L94 HydrophobicContact CG1-CG 4.18Å; L94-V96 HydrophobicContact CB-CG2 3.92Å
95R96.9Very high82.5Confident115 Ų11570.6 Ų70.643%0.43439%0.389SS..EExtended strand (participates in β ladder)trans-98.9120.8163.9-176.9163.4-69.8163.7-0.7109.1D13 L66 A67D13-R95 IonicContact OD1-CZ 3.95Å; D13-R95 IonicContact OD1-NE 2.71Å; D13-R95 PolarHBondContact OD1-NE 2.91Å; D13-R95 IonicContact OD1-NH2 3.58Å; D13-R95 PolarHBondContact OD1-NH2 3.24Å; D13-R95 IonicContact OD2-NH2 3.44Å; L66-R95 HydrophobicContact CB-CG 4.36Å; L66-R95 HydrophobicContact CD1-CG 4.36Å; L66-R95 PolarHBondContact N-O 2.96Å; A67-R95 HydrophobicContact CB-CB 4.01Å; A67-R95 PolarHBondContact N-O 3.47Å; A67-R95 PolarHBondContact O-N 3.28Å
96V96.4Very high80.5Confident0 Ų075.1 Ų75.10%041%0.414CS..EExtended strand (participates in β ladder)trans-125.9137.6-169.2-176.90000110.1L11 V12 I14 L59 D63 K64 L94L11-V96 CarbonylContact C-O 3.52Å; L11-V96 WeakPolarHBondContact CA-O 3.3Å; V12-V96 PolarHBondContact N-O 2.85Å; V12-V96 PolarHBondContact O-N 3.16Å; I14-V96 HydrophobicContact CD1-CB 4.49Å; I14-V96 HydrophobicContact CD1-CG2 4.09Å; L59-V96 HydrophobicContact CD1-CG1 3.96Å; L59-V96 HydrophobicContact CD1-CG2 3.85Å; D63-V96 HydrophobicContact CB-CG1 3.58Å; K64-V96 CarbonylContact O-C 3.59Å; K64-V96 WeakPolarHBondContact O-CA 3.48Å; L94-V96 HydrophobicContact CB-CG2 3.92Å
97M93.3Very high78.8Confident56 Ų5672.6 Ų72.628%0.27642%0.415SS..EExtended strand (participates in β ladder)trans-100117.7166.8-176.2175.479.100108.8P9 L11 K64 L66P9-M97 HydrophobicContact CB-CG 3.92Å; P9-M97 HydrophobicContact CB-SD 3.6Å; P9-M97 VanDerWaalsContact CB-SD 3.6Å; L11-M97 HydrophobicContact CD2-CB 3.73Å; L11-M97 HydrophobicContact CD2-CG 4Å; K64-M97 HydrophobicContact CB-CB 4.29Å; K64-M97 HydrophobicContact CB-CE 4.15Å; K64-M97 HydrophobicContact CD-CE 3.75Å; K64-M97 PolarHBondContact N-O 2.88Å; K64-M97 PolarHBondContact O-N 2.89Å; L66-M97 HydrophobicContact CD1-CB 4.11Å; L66-M97 HydrophobicContact CD2-CB 4.5Å; L66-M97 HydrophobicContact CG-CB 4.3Å
98K91.6Very high76.6Confident21 Ų2172.5 Ų72.59%0.09141%0.414CS..PPolyproline II helixtrans-66.8141.1179.3-61.2-63.6-62174.90110.2R10 V12 R58 E60 D63 V100R10-K98 HydrophobicContact CB-CB 4.15Å; R10-K98 HydrophobicContact CB-CG 4.3Å; R10-K98 HydrophobicContact CG-CG 4.2Å; R10-K98 PolarHBondContact O-N 2.91Å; V12-K98 HydrophobicContact CG2-CD 4.09Å; V12-K98 HydrophobicContact CG2-CG 3.74Å; R58-K98 PolarHBondContact O-NZ 3.24Å; E60-K98 WeakPolarHBondContact OE2-CE 3.47Å; E60-K98 IonicContact OE2-NZ 3.19Å; E60-K98 PolarHBondContact OE2-NZ 2.94Å; D63-K98 WeakPolarHBondContact OD1-CA 3.2Å; D63-K98 IonicContact OD1-NZ 2.92Å; D63-K98 PolarHBondContact OD1-NZ 2.82Å; D63-K98 WeakPolarHBondContact OD2-CE 3.35Å; D63-K98 IonicContact OD2-NZ 2.76Å; D63-K98 PolarHBondContact OD2-NZ 2.99Å; K98-V100 PolarHBondContact O-N 2.79Å
99K83.9Confident74.3Confident117 Ų11779.9 Ų79.951%0.50945%0.452SS..PPolyproline II helixtrans-56.4135.5169.469.7-174.6175.1-164.40110.1E61 D63 A101E61-K99 PolarHBondContact O-NZ 3.11Å; D63-K99 PolarHBondContact OD1-N 2.96Å; D63-K99 VanDerWaalsContact OD1-N 3.13Å; K99-A101 PolarHBondContact O-N 3.41Å
100V75.8Confident72.1Confident63 Ų6380.7 Ų80.738%0.38246%0.46SS..  trans-75.5110.5177.6176.40000108.4S7 K98 G102S7-V100 VanDerWaalsContact CB-CG1 3.44Å; K98-V100 PolarHBondContact O-N 2.79Å; V100-G102 PolarHBondContact O-N 2.88Å
101A58.2Low69.6Low100 Ų10080.9 Ų80.983%0.82647%0.472SS*.THydrogen-bonded Turntrans-6983.6170.100000108.9K99K99-A101 PolarHBondContact O-N 3.41Å
102G51.8Low67Low51 Ų5180.6 Ų80.653%0.52648%0.484SS..THydrogen-bonded Turntrans179.6-22-177.600000116.5V100V100-G102 PolarHBondContact O-N 2.88Å
103N44.8Very low64.7Low95 Ų9586.8 Ų86.851%0.50852%0.522SS..  trans-132.364.7179.3-78.7-35.3000111.4
104I52.8Low62Low151 Ų15189.3 Ų89.377%0.77455%0.547SS*.SBendtrans-80.9-10.5168.2-55.3-179.3000110.6
105S50.3Low59.6Low82 Ų8299 Ų9957%0.57359%0.589SS**SBendtrans-75.8-22.8176.4420000114.7
106D50.2Low56.9Low113 Ų11399.4 Ų99.460%0.60461%0.606SS**THydrogen-bonded Turntrans-95.4-3.5-171.8-66.9-18.7000114.3
107L55.6Low54.5Low142 Ų142106.8 Ų106.874%0.74365%0.646SS**THydrogen-bonded Turntrans-100.21177.2-70.9168.8000113.7
108S45.7Very low51.9Low83 Ų83115.8 Ų115.858%0.5868%0.676SS**  trans-118.562.1170.880.50000112.6G110S108-G110 PolarHBondContact O-N 2.86Å; S108-G110 VanDerWaalsContact O-N 3.15Å
109N41.7Very low49.6Very low168 Ų168123.1 Ų123.190%0.89871%0.711SS**  trans-82.368152-85.6-29000109.2
110G45.8Very low48.3Very low50 Ų50122.7 Ų122.752%0.51572%0.72SS.*SBendtrans-105.4137.1147.500000106.6S108 A112S108-G110 PolarHBondContact O-N 2.86Å; S108-G110 VanDerWaalsContact O-N 3.15Å; G110-A112 PolarHBondContact O-N 2.76Å; G110-A112 VanDerWaalsContact O-N 3.14Å
111P40.9Very low46.4Very low125 Ų125125.2 Ų125.281%0.81274%0.741SS**  trans-60.4123.5-175.724.7-31.6000109.8T113P111-T113 PolarHBondContact O-N 2.71Å
112A41.6Very low45.9Very low104 Ų104125.4 Ų125.486%0.8674%0.736SS**  trans-59107.4170.500000109.4G110G110-A112 PolarHBondContact O-N 2.76Å; G110-A112 VanDerWaalsContact O-N 3.14Å
113T46.4Very low45.6Very low131 Ų131128.8 Ų128.880%0.80475%0.752SS**  trans-102.7118.6154.852.60000107.9P111P111-T113 PolarHBondContact O-N 2.71Å
114S40.8Very low45.9Very low109 Ų109130.8 Ų130.876%0.76277%0.768SS**  trans-43.7133.1178.648.40000114
115K47.9Very low45.8Very low204 Ų204132 Ų13289%0.88778%0.775SS**  trans-58.1145.9157-71.9-179.8176176.70109.8
116P39.5Very low45.3Very low123 Ų123131.8 Ų131.880%0.79979%0.786SS**  trans-114.9143.1135.632.4-23.2000110.6
117D45.9Very low45.1Very low155 Ų155134.7 Ų134.783%0.82980%0.797SS**  trans-61.4136.3179.5-1586000112.6
118R38.9Very low44.4Very low244 Ų244134.2 Ų134.292%0.92180%0.795SS**  trans-174.1108.1153.3-108.8-177-159.3179.56.4111.5
119Q43.8Very low44.3Very low176 Ų176134.4 Ų134.482%0.82280%0.802SS**  trans-75.5-179155.7-135.4178.7-42.100109.3
120P55.7Low44.7Very low107 Ų107133.2 Ų133.270%0.69580%0.795SS**  -114.9161.2-65.523.4-4.5000111.5
121S35.9Very low44.7Very low117 Ų117140.4 Ų140.482%0.81881%0.812SS**  trans-163.8140.3145.651.90000113.5
122S48.4Very low45.4Very low104 Ų104138.6 Ų138.673%0.72781%0.808SS**  trans-39.5139.3167.850.30000115.2
123S45.9Very low45.6Very low122 Ų122136.9 Ų136.985%0.85380%0.8SS**  trans-161.6100146.1-75.10000110.7L125S123-L125 PolarHBondContact O-N 2.87Å
124T50.6Low45.8Very low137 Ų137134.2 Ų134.284%0.8479%0.791SS**  trans-59.2101.6161.2-21.90000108.4
125L49.8Very low46.1Very low176 Ų176133.7 Ų133.792%0.92178%0.783SS**  trans174.482.6158.2-98.9148.2000110S123S123-L125 PolarHBondContact O-N 2.87Å
126G40.3Very low46.3Very low78 Ų78127.7 Ų127.780%0.80477%0.767SS**  trans-150.744.7172.800000110.3
127M47Very low46.9Very low173 Ų173127.5 Ų127.585%0.85276%0.758SS**  trans-61.7138.9172.2-173.1179.6-91.800109.3
128L39.2Very low47.5Very low132 Ų132126 Ų12669%0.69175%0.749SS**  trans85.972.5164.3-118.276.8000118.3L130L128-L130 HydrophobicContact CD2-CD2 4.22Å; L128-L130 HydrophobicContact CD2-CG 4.31Å; L128-L130 PolarHBondContact O-N 2.63Å; L128-L130 VanDerWaalsContact O-N 3.11Å
129A43.9Very low48.3Very low88 Ų88118.1 Ų118.173%0.72773%0.727SS**  trans-70.896.8149.500000108.6F131A129-F131 PolarHBondContact O-N 3.06Å
130L49.7Very low49Very low143 Ų143114.4 Ų114.475%0.74971%0.712SS**  trans-61.6111.9169.4-77.2161.8000108.9L128 A132L128-L130 HydrophobicContact CD2-CD2 4.22Å; L128-L130 HydrophobicContact CD2-CG 4.31Å; L128-L130 PolarHBondContact O-N 2.63Å; L128-L130 VanDerWaalsContact O-N 3.11Å; L130-A132 VanDerWaalsContact C-N 3.25Å; L130-A132 PolarHBondContact O-N 3.07Å
131F47.4Very low49.1Very low201 Ų201113.4 Ų113.488%0.88270%0.704SS**  trans-65.182.1168.3-70.5-86.2000110.2A129A129-F131 PolarHBondContact O-N 3.06Å
132A54.3Low50.3Low87 Ų87110.8 Ų110.872%0.71969%0.689SS**  trans-105.189.6173.700000109.6L130L130-A132 VanDerWaalsContact C-N 3.25Å; L130-A132 PolarHBondContact O-N 3.07Å
133G45.9Very low50.8Low67 Ų67111 Ų11169%0.69168%0.682SS**SBendtrans-161-23.2173.900000115.7
134A50.4Low51.4Low76 Ų76114.3 Ų114.363%0.62868%0.677SS**SBendtrans-116.8-16.717900000114.5
135V48.7Very low51.8Low97 Ų97116.3 Ų116.359%0.58867%0.674SS**Hα-helixtrans-90.1-27.3-172.2-173.50000112.8I137 I138 V139V135-I137 PolarHBondContact O-N 3.29Å; V135-I138 PolarHBondContact O-N 3.23Å; V135-V139 PolarHBondContact O-N 3.05Å
136S50.3Low52.1Low78 Ų78118.7 Ų118.755%0.54567%0.671SS.*Hα-helixtrans-70.2-30.4-175.9-610000114.1I140S136-I140 WeakPolarHBondContact O-CG1 3.22Å; S136-I140 PolarHBondContact O-N 3.19Å
137I54.1Low52.9Low120 Ų120122.3 Ų122.362%0.61567%0.671SS**Hα-helixtrans-71.5-37.6-180-63.1171.7000110.7V135 V139 I140 V141V135-I137 PolarHBondContact O-N 3.29Å; I137-V139 PolarHBondContact O-N 3.11Å; I137-I140 PolarHBondContact O-N 3.47Å; I137-V141 HydrophobicContact CG2-CG2 4.4Å; I137-V141 WeakPolarHBondContact O-CG2 3.39Å; I137-V141 PolarHBondContact O-N 2.86Å; I137-V141 VanDerWaalsContact O-N 3.09Å
138I56.6Low53Low123 Ų123126.6 Ų126.663%0.63169%0.685SS**Hα-helixtrans-67.3-39.1-178.5-60.7176.7000110.9V135 V141 A142V135-I138 PolarHBondContact O-N 3.23Å; I138-V141 PolarHBondContact O-N 3.08Å; I138-A142 WeakPolarHBondContact O-CB 3.44Å; I138-A142 PolarHBondContact O-N 3.29Å
139V56.2Low53.7Low78 Ų78126.4 Ų126.447%0.47368%0.684SS.*Hα-helixtrans-68-39.5178.8179.90000111.7V135 I137 A142 L143V135-V139 PolarHBondContact O-N 3.05Å; I137-V139 PolarHBondContact O-N 3.11Å; V139-A142 PolarHBondContact O-N 2.77Å; V139-L143 HydrophobicContact CG1-CD1 3.98Å; V139-L143 WeakPolarHBondContact O-CG 3.42Å; V139-L143 PolarHBondContact O-N 3.01Å
140I57.9Low54.2Low99 Ų99128.4 Ų128.451%0.50868%0.682SS.*Hα-helixtrans-65.6-44.5177.5-66.6168.9000110.7S136 I137 A142 L143 Y144S136-I140 WeakPolarHBondContact O-CG1 3.22Å; S136-I140 PolarHBondContact O-N 3.19Å; I137-I140 PolarHBondContact O-N 3.47Å; I140-A142 VanDerWaalsContact C-N 3.34Å; I140-A142 PolarHBondContact O-N 3.27Å; I140-L143 PolarHBondContact O-N 3.24Å; I140-Y144 HydrophobicContact CG2-CD2 4.06Å; I140-Y144 HydrophobicContact CG2-CE2 4.22Å; I140-Y144 WeakPolarHBondContact O-CD2 3.13Å; I140-Y144 PolarHBondContact O-N 3.15Å; I140-Y144 VanDerWaalsContact O-N 3.1Å
141V59.1Low54.5Low86 Ų86127.6 Ų127.652%0.52168%0.678SS.*Hα-helixtrans-66.1-36.7178.3175.60000111.6I137 I138 K145I137-V141 HydrophobicContact CG2-CG2 4.4Å; I137-V141 WeakPolarHBondContact O-CG2 3.39Å; I137-V141 PolarHBondContact O-N 2.86Å; I137-V141 VanDerWaalsContact O-N 3.09Å; I138-V141 PolarHBondContact O-N 3.08Å; V141-K145 PolarHBondContact O-N 2.8Å
142A61.2Low54.9Low61 Ų61123.2 Ų123.250%0.50467%0.666SS.*Hα-helixtrans-67.8-38.1176.500000112.8I138 V139 I140I138-A142 WeakPolarHBondContact O-CB 3.44Å; I138-A142 PolarHBondContact O-N 3.29Å; V139-A142 PolarHBondContact O-N 2.77Å; I140-A142 VanDerWaalsContact C-N 3.34Å; I140-A142 PolarHBondContact O-N 3.27Å
143L57.8Low54.9Low110 Ų110125.5 Ų125.558%0.57666%0.663SS**Hα-helixtrans-68.9-36.9176.4-77.9166.2000112.4V139 I140 K145 R146V139-L143 HydrophobicContact CG1-CD1 3.98Å; V139-L143 WeakPolarHBondContact O-CG 3.42Å; V139-L143 PolarHBondContact O-N 3.01Å; I140-L143 PolarHBondContact O-N 3.24Å; L143-K145 VanDerWaalsContact C-N 3.35Å; L143-K145 PolarHBondContact O-N 3.14Å; L143-R146 PolarHBondContact O-N 3.06Å
144Y59.8Low55.5Low190 Ų190129.4 Ų129.475%0.74566%0.661SS**Hα-helixtrans-69.5-27.5178.2-95.1-93.6000114I140I140-Y144 HydrophobicContact CG2-CD2 4.06Å; I140-Y144 HydrophobicContact CG2-CE2 4.22Å; I140-Y144 WeakPolarHBondContact O-CD2 3.13Å; I140-Y144 PolarHBondContact O-N 3.15Å; I140-Y144 VanDerWaalsContact O-N 3.1Å
145K58.3Low55.9Low180 Ų180133.2 Ų133.278%0.78366%0.664SS**THydrogen-bonded Turntrans-81.3-9.8177.6-93.5-172.2174.9-171.80114.9V141 L143V141-K145 PolarHBondContact O-N 2.8Å; L143-K145 VanDerWaalsContact C-N 3.35Å; L143-K145 PolarHBondContact O-N 3.14Å
146R56.4Low56.4Low225 Ų225136 Ų13685%0.84967%0.67SS**THydrogen-bonded Turntrans-960.3179.9-106.2-81.7-173168.70.2113.8L143L143-R146 PolarHBondContact O-N 3.06Å
147L56.3Low56.9Low154 Ų154140.8 Ų140.881%0.80668%0.68SS**  trans-110.218.7-177.1-96.4138.8000113.7
148K49.4Very low57.2Low264 Ų264142.7 Ų142.7100%1.14869%0.686SS**  trans-139.70169.1-151.5175.7-170.3179.70111.3

Retrieved 148 of 148 residues in 31.5 ms (Link to these results)

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