A0A096LXC3_POEFO Loading...

FAM194 C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LXC3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 187 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
1E40.2Very low72.6Confident250 Ų250106.7 Ų106.7100%1.16859%0.594SS**  0128.20-62.3-176.8156.700108.1
2G49.9Very low73.4Confident63 Ų63100.3 Ų100.365%0.64957%0.57SS**  trans-76.8156.8-179.300000111.3V4G2-V4 PolarHBondContact O-N 3.03Å
3P56.8Low74.6Confident100 Ų10094 Ų9465%0.64954%0.536SS*.  trans-60.4125.6178.324.2-31.8000110.5F5P3-F5 PolarHBondContact O-N 3.43Å; P3-F5 VanDerWaalsContact O-N 3.15Å
4V60.6Low75.8Confident102 Ų10288 Ų8862%0.61851%0.505SS*.  trans-67.1110.1174.7178.50000108G2 L6 I7G2-V4 PolarHBondContact O-N 3.03Å; V4-L6 VanDerWaalsContact CG1-O 3.31Å; V4-L6 WeakPolarHBondContact CG1-O 3.47Å; V4-I7 HydrophobicContact CG1-CG1 4.18Å
5F78.8Confident76.9Confident46 Ų4682.7 Ų82.720%0.20248%0.478CS..  trans-98.3-10.1177.775.5-88000112.8P3 V16 L17 N138 V140P3-F5 PolarHBondContact O-N 3.43Å; P3-F5 VanDerWaalsContact O-N 3.15Å; F5-V16 HydrophobicContact CD2-CG1 4.31Å; F5-V16 CarbonylContact O-C 3.55Å; F5-V16 WeakPolarHBondContact O-CA 3.22Å; F5-V16 WeakPolarHBondContact O-CG1 3.22Å; F5-L17 PolarHBondContact O-N 2.78Å; F5-N138 HydrophobicContact CD1-CB 4.03Å; F5-N138 HydrophobicContact CD2-CB 4.44Å; F5-N138 HydrophobicContact CE1-CB 3.72Å; F5-N138 WeakPolarHBondContact CE1-OD1 3.42Å; F5-N138 HydrophobicContact CE2-CB 4.17Å; F5-N138 HydrophobicContact CG-CB 4.39Å; F5-N138 HydrophobicContact CZ-CB 3.81Å; F5-V140 HydrophobicContact CE2-CB 4.3Å; F5-V140 HydrophobicContact CE2-CG1 4.18Å
6L86.3Confident77.9Confident47 Ų4777.6 Ų77.625%0.24645%0.448CS..EExtended strand (participates in β ladder)trans-133.4123.9-179.317865.4000110V4 K8 G15 V16 V140 F142V4-L6 VanDerWaalsContact CG1-O 3.31Å; V4-L6 WeakPolarHBondContact CG1-O 3.47Å; L6-K8 HydrophobicContact CD1-CG 4.49Å; L6-K8 HydrophobicContact CG-CG 4.39Å; L6-G15 WeakPolarHBondContact CA-O 3.39Å; L6-V16 HydrophobicContact CD1-CG2 3.86Å; L6-V140 HydrophobicContact CD2-CG2 4.32Å; L6-F142 HydrophobicContact CD1-CZ 4.25Å
7I86.9Confident78.7Confident58 Ų5874.7 Ų74.730%0.29743%0.43SS..EExtended strand (participates in β ladder)trans-113.2133.1176.8-58.6172.7000107.6V4 Y9 G14 G15 L17V4-I7 HydrophobicContact CG1-CG1 4.18Å; I7-Y9 HydrophobicContact CG2-CD2 4.46Å; I7-Y9 HydrophobicContact CG2-CE1 4.31Å; I7-Y9 HydrophobicContact CG2-CE2 3.82Å; I7-G14 CarbonylContact O-C 3.57Å; I7-G14 WeakPolarHBondContact O-CA 3.1Å; I7-G15 PolarHBondContact N-O 2.87Å; I7-G15 PolarHBondContact O-N 2.95Å; I7-L17 HydrophobicContact CD1-CD1 3.89Å; I7-L17 HydrophobicContact CD1-CG 4.39Å
8K86.5Confident79.2Confident154 Ų15471.4 Ų71.467%0.6741%0.41SS*.EExtended strand (participates in β ladder)trans-134.5134.5174.2-66.7-174.8-178.8-179.90109.7L6L6-K8 HydrophobicContact CD1-CG 4.49Å; L6-K8 HydrophobicContact CG-CG 4.39Å
9Y86.3Confident79Confident143 Ų14369.1 Ų69.156%0.56140%0.397SS*.  trans-103.8166.4175.3-59.8-76.8000110.6I7 D11 G12 S13I7-Y9 HydrophobicContact CG2-CD2 4.46Å; I7-Y9 HydrophobicContact CG2-CE1 4.31Å; I7-Y9 HydrophobicContact CG2-CE2 3.82Å; Y9-D11 VanDerWaalsContact CB-OD1 3.29Å; Y9-D11 WeakPolarHBondContact CB-OD1 3.46Å; Y9-D11 PolarHBondContact O-N 3.46Å; Y9-G12 PolarHBondContact O-N 2.83Å; Y9-S13 WeakPolarHBondContact CB-OG 3.37Å; Y9-S13 WeakPolarHBondContact CD2-O 3.39Å; Y9-S13 WeakPolarHBondContact CD2-OG 3.48Å; Y9-S13 PolarHBondContact N-O 3.37Å
10A84.9Confident78.3Confident119 Ų11972.2 Ų72.298%0.98341%0.412SS*.THydrogen-bonded Turntrans-64.6-26.6-175.100000113.6G12A10-G12 PolarHBondContact O-N 3.28Å
11D81.7Confident77.2Confident92 Ų9276.8 Ų76.849%0.49242%0.423SS..THydrogen-bonded Turntrans-812.9175.266.9-12000113.2Y9 S13Y9-D11 VanDerWaalsContact CB-OD1 3.29Å; Y9-D11 WeakPolarHBondContact CB-OD1 3.46Å; Y9-D11 PolarHBondContact O-N 3.46Å; D11-S13 PolarHBondContact O-N 3.38Å; D11-S13 WeakPolarHBondContact OD1-CB 3.19Å; D11-S13 PolarHBondContact OD1-N 3.1Å; D11-S13 PolarHBondContact OD1-OG 3.02Å; D11-S13 PolarHBondContact OD2-OG 2.98Å
12G82Confident77.8Confident29 Ų2966.6 Ų66.630%0.29938%0.379SS..SBendtrans81.3-5.9-176.900000114.4Y9 A10 F39Y9-G12 PolarHBondContact O-N 2.83Å; A10-G12 PolarHBondContact O-N 3.28Å; G12-F39 VanDerWaalsContact C-CE1 3.48Å; G12-F39 WeakPolarHBondContact O-CE1 3.36Å
13S89.1Confident78.1Confident19 Ų1970.7 Ų70.713%0.13339%0.394CS..  trans-64.8163.5170.474.40000110.7Y9 D11 I31 P33Y9-S13 WeakPolarHBondContact CB-OG 3.37Å; Y9-S13 WeakPolarHBondContact CD2-O 3.39Å; Y9-S13 WeakPolarHBondContact CD2-OG 3.48Å; Y9-S13 PolarHBondContact N-O 3.37Å; D11-S13 PolarHBondContact O-N 3.38Å; D11-S13 WeakPolarHBondContact OD1-CB 3.19Å; D11-S13 PolarHBondContact OD1-N 3.1Å; D11-S13 PolarHBondContact OD1-OG 3.02Å; D11-S13 PolarHBondContact OD2-OG 2.98Å; S13-I31 WeakPolarHBondContact CA-O 2.96Å; S13-P33 VanDerWaalsContact CB-CD 3.49Å
14G91.7Very high78.3Confident10 Ų1070.4 Ų70.410%0.10340%0.395CS..EExtended strand (participates in β ladder)trans162.2-154.2179.400000113.3I7 I31I7-G14 CarbonylContact O-C 3.57Å; I7-G14 WeakPolarHBondContact O-CA 3.1Å; G14-I31 PolarHBondContact N-O 3.39Å; G14-I31 PolarHBondContact O-N 2.96Å
15G92.5Very high79.2Confident9 Ų966.3 Ų66.39%0.09337%0.373CS..EExtended strand (participates in β ladder)trans179.5169.5176.500000114.6L6 I7 I29L6-G15 WeakPolarHBondContact CA-O 3.39Å; I7-G15 PolarHBondContact N-O 2.87Å; I7-G15 PolarHBondContact O-N 2.95Å; G15-I29 CarbonylContact C-O 3.49Å; G15-I29 WeakPolarHBondContact CA-O 3.24Å
16V92.3Very high79.6Confident0 Ų064.7 Ų64.70%037%0.366CS..EExtended strand (participates in β ladder)trans-109.4138.9172.9-176.50000108.4F5 L6 A28 I29 F133 V140 F142F5-V16 HydrophobicContact CD2-CG1 4.31Å; F5-V16 CarbonylContact O-C 3.55Å; F5-V16 WeakPolarHBondContact O-CA 3.22Å; F5-V16 WeakPolarHBondContact O-CG1 3.22Å; L6-V16 HydrophobicContact CD1-CG2 3.86Å; V16-A28 HydrophobicContact CG1-CB 4.49Å; V16-A28 WeakPolarHBondContact O-CA 3.46Å; V16-A28 WeakPolarHBondContact O-CB 3.29Å; V16-A28 PolarHBondContact O-N 2.99Å; V16-I29 HydrophobicContact CB-CB 4.03Å; V16-I29 HydrophobicContact CB-CD1 4.39Å; V16-I29 HydrophobicContact CB-CG1 4.36Å; V16-I29 HydrophobicContact CG2-CB 4.18Å; V16-I29 HydrophobicContact CG2-CD1 4.25Å; V16-I29 PolarHBondContact N-O 3.01Å; V16-I29 PolarHBondContact O-N 3.42Å; V16-I29 VanDerWaalsContact O-N 3.16Å; V16-F133 HydrophobicContact CG1-CB 4.23Å; V16-F133 HydrophobicContact CG1-CD1 3.68Å; V16-F133 HydrophobicContact CG1-CD2 3.75Å; V16-F133 HydrophobicContact CG1-CE1 3.9Å; V16-F133 HydrophobicContact CG1-CE2 3.98Å; V16-F133 HydrophobicContact CG1-CG 3.62Å; V16-F133 HydrophobicContact CG1-CZ 4.05Å; V16-V140 HydrophobicContact CG1-CG1 4.32Å; V16-V140 HydrophobicContact CG2-CG1 3.8Å; V16-F142 HydrophobicContact CG2-CE2 3.65Å; V16-F142 HydrophobicContact CG2-CZ 3.53Å
17L90.7Very high79.9Confident29 Ų2964.6 Ų64.615%0.15237%0.368CS..EExtended strand (participates in β ladder)trans-108.9141.1179.2-58.4177.2000110.8F5 I7 S24 N26 P27F5-L17 PolarHBondContact O-N 2.78Å; I7-L17 HydrophobicContact CD1-CD1 3.89Å; I7-L17 HydrophobicContact CD1-CG 4.39Å; L17-S24 WeakPolarHBondContact CD1-O 3.17Å; L17-N26 CarbonylContact C-O 3.57Å; L17-N26 WeakPolarHBondContact CA-O 3.46Å; L17-P27 HydrophobicContact CD2-CB 4.31Å
18Y88.7Confident80.2Confident15 Ų1561.8 Ų61.86%0.05935%0.354CS..EExtended strand (participates in β ladder)trans-65.2131.8165.3-71.9-70000109.9N26 A28 L44 D46 C118 I119 F133Y18-N26 HydrophobicContact CD2-CB 4.17Å; Y18-N26 PolarHBondContact N-O 2.83Å; Y18-A28 HydrophobicContact CD1-CB 4.05Å; Y18-A28 HydrophobicContact CD2-CB 3.59Å; Y18-A28 HydrophobicContact CE1-CB 3.91Å; Y18-A28 HydrophobicContact CE2-CB 3.46Å; Y18-A28 VanDerWaalsContact CE2-CB 3.46Å; Y18-A28 HydrophobicContact CG-CB 3.89Å; Y18-L44 PolarHBondContact OH-O 2.82Å; Y18-L44 VanDerWaalsContact OH-O 3.07Å; Y18-D46 HydrophobicContact CD1-CB 4.2Å; Y18-D46 HydrophobicContact CD2-CB 3.59Å; Y18-D46 HydrophobicContact CE1-CB 4.15Å; Y18-D46 HydrophobicContact CE2-CB 3.51Å; Y18-D46 HydrophobicContact CG-CB 3.93Å; Y18-C118 HydrophobicContact CD1-CB 4.47Å; Y18-C118 HydrophobicContact CE1-CB 4.16Å; Y18-I119 HydrophobicContact CE1-CD1 4.35Å; Y18-I119 WeakPolarHBondContact OH-CD1 3.38Å; Y18-F133 AromaticContact CD1-CE2 3.9Å; Y18-F133 HydrophobicContact CD1-CE2 3.9Å; Y18-F133 HydrophobicContact CD1-CZ 4.27Å; Y18-F133 AromaticContact CE1-CE2 3.96Å; Y18-F133 HydrophobicContact CE1-CE2 3.96Å
19P75.7Confident80.6Confident27 Ų2754.5 Ų54.518%0.17532%0.322CS..SBendtrans-74.7142.9177.322.5-24.4000111.7Y135P19-Y135 HydrophobicContact CB-CD1 3.88Å; P19-Y135 HydrophobicContact CB-CE1 3.71Å; P19-Y135 HydrophobicContact CB-CG 4.41Å; P19-Y135 HydrophobicContact CG-CD1 3.15Å; P19-Y135 HydrophobicContact CG-CD2 3.53Å; P19-Y135 HydrophobicContact CG-CE1 3.33Å; P19-Y135 HydrophobicContact CG-CE2 3.72Å; P19-Y135 HydrophobicContact CG-CG 3.23Å
20L63.6Low81Confident131 Ų13150.1 Ų50.169%0.68631%0.31SS*.SBendtrans7422.5157.1-67.4154.2000119.4Y135L20-Y135 HydrophobicContact CD1-CE1 4.2Å; L20-Y135 WeakPolarHBondContact CD1-OH 3.12Å
21R56.6Low81.5Confident170 Ų17045 Ų4564%0.64227%0.266SS*.SBendtrans-114.5-19.8172.2-72.9-166.3171.9163.6-7.4117.1D46R21-D46 WeakPolarHBondContact CD-OD2 3.41Å; R21-D46 IonicContact CZ-OD2 3.27Å; R21-D46 IonicContact NE-OD2 3.59Å; R21-D46 IonicContact NH1-OD2 3.86Å; R21-D46 PolarHBondContact NH1-OD2 2.78Å
22S51.6Low82.1Confident35 Ų3543.7 Ų43.725%0.24526%0.262CS..SBendtrans-141.5161.6170.296.80000109.9S24 G25S22-S24 PolarHBondContact O-N 3.48Å; S22-S24 PolarHBondContact OG-N 3.24Å; S22-S24 VanDerWaalsContact OG-N 3.1Å; S22-S24 PolarHBondContact OG-OG 3.41Å; S22-G25 PolarHBondContact O-N 2.73Å; S22-G25 PolarHBondContact OG-N 3.21Å
23P57.6Low82.4Confident150 Ų15044.6 Ų44.697%0.97426%0.262SS*.THydrogen-bonded Turntrans-55.8-19.8173.8-22.832.3000113.9
24S61Low82.3Confident94 Ų9446.1 Ų46.166%0.65728%0.276SS*.THydrogen-bonded Turntrans-111.3-10.3-177.553.90000114.5L17 S22L17-S24 WeakPolarHBondContact CD1-O 3.17Å; S22-S24 PolarHBondContact O-N 3.48Å; S22-S24 PolarHBondContact OG-N 3.24Å; S22-S24 VanDerWaalsContact OG-N 3.1Å; S22-S24 PolarHBondContact OG-OG 3.41Å
25G77.9Confident81.9Confident15 Ų1552.9 Ų52.916%0.15531%0.305CS..  trans72.5137.7-174.100000113.3S22S22-G25 PolarHBondContact O-N 2.73Å; S22-G25 PolarHBondContact OG-N 3.21Å
26N88.8Confident80.9Confident13 Ų1362.2 Ų62.27%0.0734%0.339CS..EExtended strand (participates in β ladder)trans-77138.2171.7-69.1-28.6000109L17 Y18 A28 D46 D48L17-N26 CarbonylContact C-O 3.57Å; L17-N26 WeakPolarHBondContact CA-O 3.46Å; Y18-N26 HydrophobicContact CD2-CB 4.17Å; Y18-N26 PolarHBondContact N-O 2.83Å; N26-A28 PolarHBondContact O-N 3.48Å; N26-D46 PolarHBondContact ND2-OD1 3.16Å; N26-D48 PolarHBondContact ND2-OD1 2.87Å; N26-D48 PolarHBondContact OD1-OD1 2.96Å
27P91.2Very high80.2Confident44 Ų4465.3 Ų65.329%0.28636%0.359SS..EExtended strand (participates in β ladder)trans-65.6129.9176.828.8-34.9000110.3L17 V30 L44L17-P27 HydrophobicContact CD2-CB 4.31Å; P27-V30 HydrophobicContact CB-CG2 4.2Å; P27-L44 HydrophobicContact CB-CD1 3.91Å; P27-L44 HydrophobicContact CG-CD1 3.66Å; P27-L44 WeakPolarHBondContact O-CB 3.25Å
28A93.3Very high80Confident0 Ų066.2 Ų66.20%036%0.362CS..EExtended strand (participates in β ladder)trans-98.9-46.3176.400000111.2V16 Y18 N26 I43 L44 I119 F133V16-A28 HydrophobicContact CG1-CB 4.49Å; V16-A28 WeakPolarHBondContact O-CA 3.46Å; V16-A28 WeakPolarHBondContact O-CB 3.29Å; V16-A28 PolarHBondContact O-N 2.99Å; Y18-A28 HydrophobicContact CD1-CB 4.05Å; Y18-A28 HydrophobicContact CD2-CB 3.59Å; Y18-A28 HydrophobicContact CE1-CB 3.91Å; Y18-A28 HydrophobicContact CE2-CB 3.46Å; Y18-A28 VanDerWaalsContact CE2-CB 3.46Å; Y18-A28 HydrophobicContact CG-CB 3.89Å; N26-A28 PolarHBondContact O-N 3.48Å; A28-I43 WeakPolarHBondContact O-CA 3.38Å; A28-L44 PolarHBondContact O-N 3.24Å; A28-I119 HydrophobicContact CB-CD1 4.27Å; A28-F133 HydrophobicContact CB-CD2 3.99Å; A28-F133 HydrophobicContact CB-CE2 3.58Å
29I95.1Very high80.1Confident1 Ų167.4 Ų67.41%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-133.6125.9179-56.7171.8000107.1G15 V16 I31 Y41 V42 I119 V131 F133 F142G15-I29 CarbonylContact C-O 3.49Å; G15-I29 WeakPolarHBondContact CA-O 3.24Å; V16-I29 HydrophobicContact CB-CB 4.03Å; V16-I29 HydrophobicContact CB-CD1 4.39Å; V16-I29 HydrophobicContact CB-CG1 4.36Å; V16-I29 HydrophobicContact CG2-CB 4.18Å; V16-I29 HydrophobicContact CG2-CD1 4.25Å; V16-I29 PolarHBondContact N-O 3.01Å; V16-I29 PolarHBondContact O-N 3.42Å; V16-I29 VanDerWaalsContact O-N 3.16Å; I29-I31 HydrophobicContact CG2-CG1 4.34Å; I29-Y41 HydrophobicContact CG2-CD1 4.32Å; I29-V42 CarbonylContact C-O 3.53Å; I29-V42 WeakPolarHBondContact CA-O 3.19Å; I29-I119 HydrophobicContact CG1-CD1 4.37Å; I29-V131 HydrophobicContact CD1-CG1 3.84Å; I29-F133 HydrophobicContact CD1-CB 4.05Å; I29-F142 HydrophobicContact CD1-CD2 4.02Å; I29-F142 HydrophobicContact CD1-CE2 3.73Å; I29-F142 HydrophobicContact CG2-CE2 4.38Å
30V95.7Very high81.1Confident50 Ų5068.6 Ų68.630%0.30337%0.372SS..EExtended strand (participates in β ladder)trans-105.8130.3171.8179.80000108P27 Y41 V42 L44P27-V30 HydrophobicContact CB-CG2 4.2Å; V30-Y41 WeakPolarHBondContact O-CA 3.44Å; V30-V42 HydrophobicContact CB-CB 4.34Å; V30-V42 PolarHBondContact N-O 2.63Å; V30-V42 PolarHBondContact O-N 2.9Å; V30-L44 HydrophobicContact CG2-CD1 3.75Å
31I95.3Very high82.6Confident11 Ų1163.7 Ų63.76%0.05635%0.345CS..EExtended strand (participates in β ladder)trans-110.6117.8-178.6-51.5170.6000107.2S13 G14 I29 F39 Y41 F142S13-I31 WeakPolarHBondContact CA-O 2.96Å; G14-I31 PolarHBondContact N-O 3.39Å; G14-I31 PolarHBondContact O-N 2.96Å; I29-I31 HydrophobicContact CG2-CG1 4.34Å; I31-F39 HydrophobicContact CG2-CB 3.89Å; I31-F39 HydrophobicContact CG2-CD1 3.84Å; I31-F39 HydrophobicContact CG2-CG 3.96Å; I31-Y41 HydrophobicContact CD1-CE1 4.31Å; I31-Y41 HydrophobicContact CG1-CD1 3.92Å; I31-Y41 HydrophobicContact CG1-CE1 4.02Å; I31-Y41 HydrophobicContact CG2-CD1 4.36Å; I31-Y41 HydrophobicContact CG2-CE1 4.01Å; I31-F142 HydrophobicContact CD1-CD1 4.18Å; I31-F142 HydrophobicContact CD1-CE1 3.43Å; I31-F142 VanDerWaalsContact CD1-CE1 3.43Å; I31-F142 HydrophobicContact CD1-CZ 3.82Å; I31-F142 HydrophobicContact CG1-CE1 4.47Å
32T93.2Very high84.6Confident66 Ų6657 Ų5741%0.40532%0.322SS..EExtended strand (participates in β ladder)trans-122.2128.5-178.7-53.90000109.5A34 F39 I40T32-A34 PolarHBondContact O-N 2.94Å; T32-F39 CarbonylContact O-C 3.57Å; T32-F39 WeakPolarHBondContact O-CA 3.31Å; T32-I40 PolarHBondContact N-O 2.82Å; T32-I40 PolarHBondContact O-N 3.28Å
33P89.5Confident86.7Confident47 Ų4755.3 Ų55.331%0.30531%0.311SS..EExtended strand (participates in β ladder)trans-59.4136.4173.1-2031.3000110.2S13 F39S13-P33 VanDerWaalsContact CB-CD 3.49Å; P33-F39 HydrophobicContact CB-CD1 4.31Å; P33-F39 HydrophobicContact CB-CE1 4.25Å; P33-F39 HydrophobicContact CG-CD1 4.32Å; P33-F39 HydrophobicContact CG-CE1 4.14Å
34A86.3Confident88.5Confident51 Ų5149.3 Ų49.342%0.42127%0.27SS..SBendtrans-103.7-71.6168.900000109.5T32 H38 I40 P59T32-A34 PolarHBondContact O-N 2.94Å; A34-H38 PolarHBondContact N-O 2.8Å; A34-I40 HydrophobicContact CB-CD1 4.07Å; A34-I40 HydrophobicContact CB-CG1 4.09Å; A34-P59 HydrophobicContact CB-CG 3.74Å
35E83.1Confident90Very high152 Ų15246.9 Ų46.971%0.7125%0.248SC*.SBendtrans-134.9126.6171.2-70.7175.1-168.300105.3H38E35-H38 VanDerWaalsContact O-CA 3.23Å; E35-H38 WeakPolarHBondContact O-CA 3.47Å; E35-H38 WeakPolarHBondContact O-CB 3.45Å; E35-H38 PolarHBondContact O-N 3.03Å; E35-H38 PolarHBondContact O-ND1 2.82Å
36Y71.8Confident90.5Very high206 Ų20648 Ų4881%0.80825%0.251SS*.THydrogen-bonded Turntrans-61.5132.4-178-179.7-88.5000110.7
37P77.3Confident90.5Very high65 Ų6551.4 Ų51.442%0.42227%0.265SS..THydrogen-bonded Turncis-96.317.99.939.3-37.1000115.1F39P37-F39 WeakPolarHBondContact O-CD2 3.44Å; P37-F39 WeakPolarHBondContact O-CE2 3.49Å
38H87.3Confident90.1Very high48 Ų4854.6 Ų54.622%0.22228%0.28CS..  trans-88.5143.6-175.5-44.5110.5000114.4A34 E35 P59 E147A34-H38 PolarHBondContact N-O 2.8Å; E35-H38 VanDerWaalsContact O-CA 3.23Å; E35-H38 WeakPolarHBondContact O-CA 3.47Å; E35-H38 WeakPolarHBondContact O-CB 3.45Å; E35-H38 PolarHBondContact O-N 3.03Å; E35-H38 PolarHBondContact O-ND1 2.82Å; H38-P59 HydrophobicContact CB-CB 3.58Å; H38-P59 HydrophobicContact CB-CG 3.61Å; H38-E147 IonicContact CD2-OE1 2.78Å; H38-E147 PolarHBondContact CD2-OE1 2.88Å; H38-E147 VanDerWaalsContact CD2-OE1 3.3Å; H38-E147 IonicContact CD2-OE2 3.77Å; H38-E147 IonicContact CE1-OE2 3.69Å; H38-E147 IonicContact NE2-OE1 2.72Å; H38-E147 PolarHBondContact NE2-OE1 2.84Å; H38-E147 IonicContact NE2-OE2 3.47Å; H38-E147 PolarHBondContact NE2-OE2 2.81Å
39F91.1Very high89.7Confident40 Ų4063.3 Ų63.318%0.17532%0.318CS..EExtended strand (participates in β ladder)trans-128.2149.8-177.1-58-84.3000111.4G12 I31 T32 P33 P37 Y41 P59G12-F39 VanDerWaalsContact C-CE1 3.48Å; G12-F39 WeakPolarHBondContact O-CE1 3.36Å; I31-F39 HydrophobicContact CG2-CB 3.89Å; I31-F39 HydrophobicContact CG2-CD1 3.84Å; I31-F39 HydrophobicContact CG2-CG 3.96Å; T32-F39 CarbonylContact O-C 3.57Å; T32-F39 WeakPolarHBondContact O-CA 3.31Å; P33-F39 HydrophobicContact CB-CD1 4.31Å; P33-F39 HydrophobicContact CB-CE1 4.25Å; P33-F39 HydrophobicContact CG-CD1 4.32Å; P33-F39 HydrophobicContact CG-CE1 4.14Å; P37-F39 WeakPolarHBondContact O-CD2 3.44Å; P37-F39 WeakPolarHBondContact O-CE2 3.49Å; F39-Y41 HydrophobicContact CB-CE2 3.9Å; F39-P59 WeakPolarHBondContact O-CD 3.35Å
40I95.2Very high89.3Confident51 Ų5172.6 Ų72.626%0.26236%0.358SS..EExtended strand (participates in β ladder)trans-94.6134.9164.3-65.5162.9000107.5T32 A34 V42 I56 F57 P59T32-I40 PolarHBondContact N-O 2.82Å; T32-I40 PolarHBondContact O-N 3.28Å; A34-I40 HydrophobicContact CB-CD1 4.07Å; A34-I40 HydrophobicContact CB-CG1 4.09Å; I40-V42 HydrophobicContact CG2-CG2 4.08Å; I40-I56 HydrophobicContact CG2-CD1 4.2Å; I40-I56 HydrophobicContact CG2-CG1 4.07Å; I40-F57 WeakPolarHBondContact CA-O 3.43Å; I40-P59 HydrophobicContact CG1-CG 4.47Å
41Y96.6Very high89Confident29 Ų2972.5 Ų72.511%0.11436%0.359CS..EExtended strand (participates in β ladder)trans-113120.1175.6-56.2-98.1000109.1I29 V30 I31 F39 I56 F57 F142 V144I29-Y41 HydrophobicContact CG2-CD1 4.32Å; V30-Y41 WeakPolarHBondContact O-CA 3.44Å; I31-Y41 HydrophobicContact CD1-CE1 4.31Å; I31-Y41 HydrophobicContact CG1-CD1 3.92Å; I31-Y41 HydrophobicContact CG1-CE1 4.02Å; I31-Y41 HydrophobicContact CG2-CD1 4.36Å; I31-Y41 HydrophobicContact CG2-CE1 4.01Å; F39-Y41 HydrophobicContact CB-CE2 3.9Å; Y41-I56 CarbonylContact O-C 3.46Å; Y41-I56 WeakPolarHBondContact O-CA 3.43Å; Y41-F57 HydrophobicContact CD2-CB 4.44Å; Y41-F57 PolarHBondContact N-O 3.06Å; Y41-F57 PolarHBondContact O-N 2.72Å; Y41-F142 HydrophobicContact CD1-CB 4.11Å; Y41-F142 HydrophobicContact CD1-CD1 4.25Å; Y41-F142 HydrophobicContact CD1-CG 4.07Å; Y41-F142 HydrophobicContact CE1-CB 3.68Å; Y41-F142 AromaticContact CE1-CD1 3.52Å; Y41-F142 HydrophobicContact CE1-CD1 3.52Å; Y41-F142 HydrophobicContact CE1-CE1 4.33Å; Y41-F142 AromaticContact CE1-CG 3.67Å; Y41-F142 HydrophobicContact CE1-CG 3.67Å; Y41-V144 HydrophobicContact CD2-CG1 3.55Å; Y41-V144 HydrophobicContact CE2-CG1 3.73Å; Y41-V144 HydrophobicContact CG-CG1 3.98Å
42V97.2Very high88.8Confident29 Ų2979 Ų7918%0.17638%0.382CS..EExtended strand (participates in β ladder)trans-108.6121.7176.7-178.50000108.5I29 V30 I40 L44 M53 I56I29-V42 CarbonylContact C-O 3.53Å; I29-V42 WeakPolarHBondContact CA-O 3.19Å; V30-V42 HydrophobicContact CB-CB 4.34Å; V30-V42 PolarHBondContact N-O 2.63Å; V30-V42 PolarHBondContact O-N 2.9Å; I40-V42 HydrophobicContact CG2-CG2 4.08Å; V42-L44 HydrophobicContact CG1-CD2 4.06Å; V42-L44 HydrophobicContact CG1-CG 4.43Å; V42-M53 HydrophobicContact CG1-CB 4.42Å; V42-M53 HydrophobicContact CG1-CG 3.74Å; V42-M53 HydrophobicContact CG1-SD 3.77Å; V42-I56 HydrophobicContact CG2-CD1 4.49Å; V42-I56 HydrophobicContact CG2-CG1 4.43Å
43I96.4Very high88.9Confident0 Ų079.6 Ų79.60%038%0.382CS..EExtended strand (participates in β ladder)trans-97.1128.7177.8-52-173.5000108.7A28 M53 I54 G55 F57 M115 I119 V131A28-I43 WeakPolarHBondContact O-CA 3.38Å; I43-M53 CarbonylContact O-C 3.37Å; I43-M53 WeakPolarHBondContact O-CA 3.34Å; I43-I54 HydrophobicContact CB-CG1 4.11Å; I43-I54 HydrophobicContact CG2-CD1 3.84Å; I43-I54 HydrophobicContact CG2-CG1 3.63Å; I43-I54 WeakPolarHBondContact O-CG1 3.32Å; I43-I54 PolarHBondContact O-N 2.79Å; I43-G55 PolarHBondContact N-O 2.91Å; I43-G55 PolarHBondContact O-N 2.99Å; I43-F57 HydrophobicContact CD1-CD2 4.21Å; I43-F57 HydrophobicContact CD1-CE2 3.44Å; I43-F57 VanDerWaalsContact CD1-CE2 3.44Å; I43-F57 HydrophobicContact CD1-CZ 4.24Å; I43-F57 HydrophobicContact CG1-CD2 4.43Å; I43-F57 HydrophobicContact CG1-CE2 4.06Å; I43-M115 HydrophobicContact CD1-CE 4.36Å; I43-M115 HydrophobicContact CD1-SD 3.44Å; I43-M115 WeakPolarHBondContact CD1-SD 3.46Å; I43-M115 HydrophobicContact CG2-SD 4.27Å; I43-I119 HydrophobicContact CD1-CG2 4.18Å; I43-I119 HydrophobicContact CG2-CD1 3.61Å; I43-I119 HydrophobicContact CG2-CG2 4.36Å; I43-V131 HydrophobicContact CD1-CG1 3.79Å; I43-V131 HydrophobicContact CD1-CG2 4.23Å
44L94.8Very high89.2Confident24 Ų2478.4 Ų78.413%0.12637%0.372CS..EExtended strand (participates in β ladder)trans-114.9147.4-176.2-64.5176.8000110.8Y18 P27 A28 V30 V42 P51 R52 M53Y18-L44 PolarHBondContact OH-O 2.82Å; Y18-L44 VanDerWaalsContact OH-O 3.07Å; P27-L44 HydrophobicContact CB-CD1 3.91Å; P27-L44 HydrophobicContact CG-CD1 3.66Å; P27-L44 WeakPolarHBondContact O-CB 3.25Å; A28-L44 PolarHBondContact O-N 3.24Å; V30-L44 HydrophobicContact CG2-CD1 3.75Å; V42-L44 HydrophobicContact CG1-CD2 4.06Å; V42-L44 HydrophobicContact CG1-CG 4.43Å; L44-P51 HydrophobicContact CB-CB 4.46Å; L44-R52 WeakPolarHBondContact CA-O 3.36Å; L44-M53 HydrophobicContact CD2-CB 4.33Å
45E92.4Very high89.7Confident42 Ų4276 Ų7620%0.19635%0.352CS..  trans-68145.1171.6-168.2-178.6-165.200111.2K47 P51 R52 I54E45-K47 VanDerWaalsContact C-N 3.31Å; E45-K47 HydrophobicContact CG-CD 4.34Å; E45-K47 HydrophobicContact CG-CG 4.14Å; E45-K47 PolarHBondContact O-N 2.93Å; E45-K47 WeakPolarHBondContact OE1-CE 3.33Å; E45-K47 IonicContact OE1-NZ 2.83Å; E45-K47 PolarHBondContact OE1-NZ 2.77Å; E45-K47 VanDerWaalsContact OE2-CD 3.24Å; E45-K47 WeakPolarHBondContact OE2-CD 3.13Å; E45-K47 WeakPolarHBondContact OE2-CE 3.49Å; E45-K47 IonicContact OE2-NZ 2.73Å; E45-K47 PolarHBondContact OE2-NZ 3.34Å; E45-P51 WeakPolarHBondContact O-CB 3.31Å; E45-R52 PolarHBondContact N-O 2.82Å; E45-I54 HydrophobicContact CB-CG2 4.03Å
46D89.9Confident90.4Very high39 Ų3971.1 Ų71.121%0.20933%0.33CS..SBendtrans-7283.3172.6-175.917.9000111.3Y18 R21 N26Y18-D46 HydrophobicContact CD1-CB 4.2Å; Y18-D46 HydrophobicContact CD2-CB 3.59Å; Y18-D46 HydrophobicContact CE1-CB 4.15Å; Y18-D46 HydrophobicContact CE2-CB 3.51Å; Y18-D46 HydrophobicContact CG-CB 3.93Å; R21-D46 WeakPolarHBondContact CD-OD2 3.41Å; R21-D46 IonicContact CZ-OD2 3.27Å; R21-D46 IonicContact NE-OD2 3.59Å; R21-D46 IonicContact NH1-OD2 3.86Å; R21-D46 PolarHBondContact NH1-OD2 2.78Å; N26-D46 PolarHBondContact ND2-OD1 3.16Å
47K87.6Confident91.6Very high85 Ų8561.4 Ų61.437%0.3729%0.292SS..  trans-141.2137.4176.7-77.4-172.6178.9150.10112.1E45 K49 P51E45-K47 VanDerWaalsContact C-N 3.31Å; E45-K47 HydrophobicContact CG-CD 4.34Å; E45-K47 HydrophobicContact CG-CG 4.14Å; E45-K47 PolarHBondContact O-N 2.93Å; E45-K47 WeakPolarHBondContact OE1-CE 3.33Å; E45-K47 IonicContact OE1-NZ 2.83Å; E45-K47 PolarHBondContact OE1-NZ 2.77Å; E45-K47 VanDerWaalsContact OE2-CD 3.24Å; E45-K47 WeakPolarHBondContact OE2-CD 3.13Å; E45-K47 WeakPolarHBondContact OE2-CE 3.49Å; E45-K47 IonicContact OE2-NZ 2.73Å; E45-K47 PolarHBondContact OE2-NZ 3.34Å; K47-K49 PolarHBondContact O-N 3.15Å; K47-P51 HydrophobicContact CB-CB 4.48Å
48D82.6Confident92.4Very high110 Ų11060.6 Ų60.659%0.58829%0.286SS*.SBendtrans-69.6-32.2-179.3-55.1-29.7000113.5N26N26-D48 PolarHBondContact ND2-OD1 2.87Å; N26-D48 PolarHBondContact OD1-OD1 2.96Å
49K85.2Confident92.5Very high184 Ų18459.9 Ų59.980%0.829%0.286SS*.SBendtrans-123.4123.2-176.2-66.8-176.1-178.2177.80110.4K47K47-K49 PolarHBondContact O-N 3.15Å
50K86.2Confident92.2Very high196 Ų19665.7 Ų65.785%0.85231%0.311SS*.SBendtrans50.561176.9-59.7-177.9177.9-177.60111.7R52K50-R52 PolarHBondContact O-N 3.25Å
51P90Very high91.9Very high48 Ų4863.6 Ų63.631%0.31230%0.302SS..PPolyproline II helixtrans-59.3137.2177.227.5-34.7000109.7L44 E45 K47L44-P51 HydrophobicContact CB-CB 4.46Å; E45-P51 WeakPolarHBondContact O-CB 3.31Å; K47-P51 HydrophobicContact CB-CB 4.48Å
52R92.4Very high91.8Very high146 Ų14664.2 Ų64.255%0.55131%0.311SS*.PPolyproline II helixtrans-83144.8176.2-65.8-179.2-178-179.7-0.7109.4L44 E45 K50 I54 S68L44-R52 WeakPolarHBondContact CA-O 3.36Å; E45-R52 PolarHBondContact N-O 2.82Å; K50-R52 PolarHBondContact O-N 3.25Å; R52-I54 PolarHBondContact O-N 3.07Å; R52-S68 PolarHBondContact NH1-O 2.82Å
53M94.6Very high91.8Very high80 Ų8063 Ų6339%0.39430%0.304SS..EExtended strand (participates in β ladder)trans-70.5119.6164.6-179.7176.47000109V42 I43 L44 G55 I56 Y66V42-M53 HydrophobicContact CG1-CB 4.42Å; V42-M53 HydrophobicContact CG1-CG 3.74Å; V42-M53 HydrophobicContact CG1-SD 3.77Å; I43-M53 CarbonylContact O-C 3.37Å; I43-M53 WeakPolarHBondContact O-CA 3.34Å; L44-M53 HydrophobicContact CD2-CB 4.33Å; M53-G55 WeakPolarHBondContact CG-O 3.35Å; M53-I56 HydrophobicContact SD-CB 3.98Å; M53-I56 HydrophobicContact SD-CD1 4.33Å; M53-Y66 HydrophobicContact CE-CE2 4.14Å
54I95.9Very high91.8Very high22 Ų2264.3 Ų64.311%0.11331%0.311CS..EExtended strand (participates in β ladder)trans-107-8178.161.3172000112.1I43 E45 R52 C65 Y66 M115I43-I54 HydrophobicContact CB-CG1 4.11Å; I43-I54 HydrophobicContact CG2-CD1 3.84Å; I43-I54 HydrophobicContact CG2-CG1 3.63Å; I43-I54 WeakPolarHBondContact O-CG1 3.32Å; I43-I54 PolarHBondContact O-N 2.79Å; E45-I54 HydrophobicContact CB-CG2 4.03Å; R52-I54 PolarHBondContact O-N 3.07Å; I54-C65 CarbonylContact O-C 3.53Å; I54-C65 VanDerWaalsContact O-CA 3.25Å; I54-C65 WeakPolarHBondContact O-CA 3.2Å; I54-C65 WeakPolarHBondContact O-CB 3.23Å; I54-Y66 PolarHBondContact O-N 2.87Å; I54-M115 HydrophobicContact CB-CE 4.4Å; I54-M115 HydrophobicContact CD1-CE 4.38Å; I54-M115 HydrophobicContact CG1-CE 4.15Å; I54-M115 WeakPolarHBondContact O-CE 2.98Å
55G97Very high92Very high0 Ų063.1 Ų63.10%031%0.305CS..EExtended strand (participates in β ladder)trans-161.8149.8173.300000112.6I43 M53 T64I43-G55 PolarHBondContact N-O 2.91Å; I43-G55 PolarHBondContact O-N 2.99Å; M53-G55 WeakPolarHBondContact CG-O 3.35Å; G55-T64 CarbonylContact C-O 3.57Å; G55-T64 WeakPolarHBondContact CA-O 3.5Å
56I97.5Very high92.1Very high49 Ų4964.5 Ų64.525%0.25131%0.309SS..EExtended strand (participates in β ladder)trans-138.7136.1169.6-172.4166.4000109.4I40 Y41 V42 M53 A63 T64I40-I56 HydrophobicContact CG2-CD1 4.2Å; I40-I56 HydrophobicContact CG2-CG1 4.07Å; Y41-I56 CarbonylContact O-C 3.46Å; Y41-I56 WeakPolarHBondContact O-CA 3.43Å; V42-I56 HydrophobicContact CG2-CD1 4.49Å; V42-I56 HydrophobicContact CG2-CG1 4.43Å; M53-I56 HydrophobicContact SD-CB 3.98Å; M53-I56 HydrophobicContact SD-CD1 4.33Å; I56-A63 CarbonylContact O-C 3.6Å; I56-A63 WeakPolarHBondContact O-CA 3.48Å; I56-A63 WeakPolarHBondContact O-CB 3.36Å; I56-T64 PolarHBondContact N-O 2.97Å; I56-T64 PolarHBondContact O-N 3.21Å
57F96.8Very high92.2Very high2 Ų265.5 Ų65.51%0.00931%0.31CS..EExtended strand (participates in β ladder)trans-127.4133.3177-60.2-104.4000108.6I40 Y41 I43 A63 I121 V131 V144I40-F57 WeakPolarHBondContact CA-O 3.43Å; Y41-F57 HydrophobicContact CD2-CB 4.44Å; Y41-F57 PolarHBondContact N-O 3.06Å; Y41-F57 PolarHBondContact O-N 2.72Å; I43-F57 HydrophobicContact CD1-CD2 4.21Å; I43-F57 HydrophobicContact CD1-CE2 3.44Å; I43-F57 VanDerWaalsContact CD1-CE2 3.44Å; I43-F57 HydrophobicContact CD1-CZ 4.24Å; I43-F57 HydrophobicContact CG1-CD2 4.43Å; I43-F57 HydrophobicContact CG1-CE2 4.06Å; F57-A63 HydrophobicContact CB-CB 4.46Å; F57-A63 HydrophobicContact CD1-CB 3.28Å; F57-A63 HydrophobicContact CE1-CB 3.45Å; F57-A63 VanDerWaalsContact CE1-CB 3.45Å; F57-A63 HydrophobicContact CG-CB 3.9Å; F57-A63 HydrophobicContact CZ-CB 4.16Å; F57-I121 HydrophobicContact CE1-CD1 4.47Å; F57-I121 HydrophobicContact CE1-CG2 4.32Å; F57-I121 HydrophobicContact CZ-CD1 3.67Å; F57-I121 HydrophobicContact CZ-CG1 3.92Å; F57-I121 HydrophobicContact CZ-CG2 4.44Å; F57-V131 HydrophobicContact CD1-CG2 4.19Å; F57-V131 HydrophobicContact CD2-CG2 4.01Å; F57-V131 HydrophobicContact CE1-CG2 3.89Å; F57-V131 HydrophobicContact CE2-CG2 3.76Å; F57-V131 HydrophobicContact CG-CG2 4.25Å; F57-V131 HydrophobicContact CZ-CG2 3.68Å; F57-V144 HydrophobicContact CB-CB 4.06Å; F57-V144 HydrophobicContact CB-CG1 4.2Å; F57-V144 HydrophobicContact CD1-CB 3.87Å; F57-V144 HydrophobicContact CD1-CG1 4.42Å; F57-V144 HydrophobicContact CD1-CG2 3.47Å; F57-V144 VanDerWaalsContact CD1-CG2 3.47Å; F57-V144 HydrophobicContact CE1-CG2 3.93Å; F57-V144 HydrophobicContact CG-CB 4.19Å; F57-V144 HydrophobicContact CG-CG1 4.34Å; F57-V144 HydrophobicContact CG-CG2 4.2Å
58T94Very high92.2Very high48 Ų4866 Ų6629%0.29432%0.324SS..  trans-108157-177660000110.6K60 G61 C62T58-K60 PolarHBondContact O-N 3.42Å; T58-G61 PolarHBondContact O-N 2.86Å; T58-G61 VanDerWaalsContact O-N 3.15Å; T58-C62 PolarHBondContact N-O 2.97Å; T58-C62 WeakPolarHBondContact OG1-CB 3.47Å; T58-C62 PolarHBondContact OG1-N 3.33Å; T58-C62 PolarHBondContact OG1-O 2.63Å
59P88.5Confident92.5Very high34 Ų3465 Ų6522%0.22132%0.319CS..THydrogen-bonded Turntrans-45.6-33.2173.4-38.541.3000116.4A34 H38 F39 I40 G61A34-P59 HydrophobicContact CB-CG 3.74Å; H38-P59 HydrophobicContact CB-CB 3.58Å; H38-P59 HydrophobicContact CB-CG 3.61Å; F39-P59 WeakPolarHBondContact O-CD 3.35Å; I40-P59 HydrophobicContact CG1-CG 4.47Å; P59-G61 PolarHBondContact O-N 2.94Å
60K86.1Confident92.8Very high162 Ų16258.3 Ų58.370%0.70430%0.303SS*.THydrogen-bonded Turntrans-84.616.5-174.2-59.7-171.6176.3-172.30113.6T58 C62T58-K60 PolarHBondContact O-N 3.42Å; K60-C62 PolarHBondContact O-N 2.95Å
61G88.8Confident93.3Very high7 Ų752.4 Ų52.47%0.07228%0.28CS..SBendtrans71.54.9-175.800000114.9T58 P59 I76T58-G61 PolarHBondContact O-N 2.86Å; T58-G61 VanDerWaalsContact O-N 3.15Å; P59-G61 PolarHBondContact O-N 2.94Å; G61-I76 WeakPolarHBondContact O-CG2 3.17Å
62C94.1Very high93.5Very high42 Ų4253.6 Ų53.628%0.28428%0.283SS..  trans-81.3139.7174.8-610000110.3T58 K60 I76T58-C62 PolarHBondContact N-O 2.97Å; T58-C62 WeakPolarHBondContact OG1-CB 3.47Å; T58-C62 PolarHBondContact OG1-N 3.33Å; T58-C62 PolarHBondContact OG1-O 2.63Å; K60-C62 PolarHBondContact O-N 2.95Å; C62-I76 VanDerWaalsContact CA-O 3.28Å; C62-I76 WeakPolarHBondContact CA-O 3.42Å
63A96.7Very high93.7Very high4 Ų448.5 Ų48.53%0.03326%0.264CS..EExtended strand (participates in β ladder)trans-145.2150.1179.200000112.2I56 F57 N75 I76I56-A63 CarbonylContact O-C 3.6Å; I56-A63 WeakPolarHBondContact O-CA 3.48Å; I56-A63 WeakPolarHBondContact O-CB 3.36Å; F57-A63 HydrophobicContact CB-CB 4.46Å; F57-A63 HydrophobicContact CD1-CB 3.28Å; F57-A63 HydrophobicContact CE1-CB 3.45Å; F57-A63 VanDerWaalsContact CE1-CB 3.45Å; F57-A63 HydrophobicContact CG-CB 3.9Å; F57-A63 HydrophobicContact CZ-CB 4.16Å; A63-N75 CarbonylContact O-C 3.54Å; A63-N75 WeakPolarHBondContact O-CA 3.34Å; A63-N75 PolarHBondContact O-ND2 3.36Å; A63-I76 HydrophobicContact CB-CB 3.96Å; A63-I76 HydrophobicContact CB-CD1 4.01Å; A63-I76 HydrophobicContact CB-CG1 4.07Å; A63-I76 PolarHBondContact N-O 3.27Å; A63-I76 PolarHBondContact O-N 2.86Å
64T97.8Very high93.8Very high26 Ų2644.7 Ų44.716%0.1625%0.245CC..EExtended strand (participates in β ladder)trans-137.3129.2168.5-59.80000109.3G55 I56 Y66 I72 L74 N75G55-T64 CarbonylContact C-O 3.57Å; G55-T64 WeakPolarHBondContact CA-O 3.5Å; I56-T64 PolarHBondContact N-O 2.97Å; I56-T64 PolarHBondContact O-N 3.21Å; T64-Y66 HydrophobicContact CG2-CE1 3.93Å; T64-Y66 HydrophobicContact CG2-CE2 4.1Å; T64-I72 HydrophobicContact CG2-CD1 4.41Å; T64-I72 HydrophobicContact CG2-CG1 4.19Å; T64-I72 HydrophobicContact CG2-CG2 4.17Å; T64-L74 CarbonylContact C-O 3.6Å; T64-L74 WeakPolarHBondContact CA-O 3.38Å; T64-N75 PolarHBondContact OG1-ND2 2.78Å
65C97.3Very high93.8Very high0 Ų045.5 Ų45.50%025%0.249CC..EExtended strand (participates in β ladder)trans-123149.3175.7-55.60000110.8I54 W73 L74 M115 I121I54-C65 CarbonylContact O-C 3.53Å; I54-C65 VanDerWaalsContact O-CA 3.25Å; I54-C65 WeakPolarHBondContact O-CA 3.2Å; I54-C65 WeakPolarHBondContact O-CB 3.23Å; C65-W73 HydrophobicContact CB-CE3 4.45Å; C65-W73 PolarHBondContact O-N 3Å; C65-L74 HydrophobicContact CB-CB 4.1Å; C65-L74 PolarHBondContact N-O 3.43Å; C65-L74 PolarHBondContact O-N 2.81Å; C65-M115 HydrophobicContact CB-CE 3.61Å; C65-I121 WeakPolarHBondContact SG-CD1 3.33Å
66Y95.7Very high93.7Very high70 Ų7045.6 Ų45.628%0.27525%0.25SC..EExtended strand (participates in β ladder)trans-120.1149.6-172.6-53.5-85.5000110.4M53 I54 T64 L71 I72M53-Y66 HydrophobicContact CE-CE2 4.14Å; I54-Y66 PolarHBondContact O-N 2.87Å; T64-Y66 HydrophobicContact CG2-CE1 3.93Å; T64-Y66 HydrophobicContact CG2-CE2 4.1Å; Y66-L71 CarbonylContact C-O 3.48Å; Y66-L71 VanDerWaalsContact CA-O 3.32Å; Y66-L71 WeakPolarHBondContact CA-O 3.38Å; Y66-I72 HydrophobicContact CD1-CG1 4.21Å; Y66-I72 HydrophobicContact CE1-CG1 3.98Å
67R91.3Very high93.4Very high60 Ų6044.9 Ų44.923%0.22625%0.248CC..  trans-79.9171.4165.9-61.2-165.6-179.3-126.50110.5N69 G70 L71 W73 F84 G85 E86R67-N69 WeakPolarHBondContact CB-OD1 3.44Å; R67-N69 PolarHBondContact O-N 3.35Å; R67-G70 PolarHBondContact O-N 2.82Å; R67-L71 PolarHBondContact N-O 3.27Å; R67-W73 HydrophobicContact CG-CB 3.73Å; R67-W73 HydrophobicContact CG-CG 4.13Å; R67-F84 PolarHBondContact NH2-O 2.85Å; R67-G85 VanDerWaalsContact CZ-O 3.31Å; R67-G85 PolarHBondContact NE-O 2.85Å; R67-G85 VanDerWaalsContact NH2-CA 3.27Å; R67-G85 PolarHBondContact NH2-O 2.92Å; R67-E86 IonicContact NH1-OE1 3.3Å
68S87.7Confident92.8Very high96 Ų9648.2 Ų48.267%0.67127%0.271SS*.THydrogen-bonded Turntrans-57.4-29.5172.855.40000113.6R52 G70R52-S68 PolarHBondContact NH1-O 2.82Å; S68-G70 PolarHBondContact O-N 2.86Å
69N89.9Confident92.3Very high88 Ų8847.9 Ų47.947%0.47127%0.271SS..THydrogen-bonded Turntrans-78.2-2174.970.65.9000113.9R67 L71 E86R67-N69 WeakPolarHBondContact CB-OD1 3.44Å; R67-N69 PolarHBondContact O-N 3.35Å; N69-L71 VanDerWaalsContact C-N 3.31Å; N69-L71 PolarHBondContact O-N 2.79Å; N69-L71 VanDerWaalsContact OD1-CB 3.31Å; N69-L71 WeakPolarHBondContact OD1-CB 3.4Å; N69-L71 WeakPolarHBondContact OD1-CG 3.34Å; N69-L71 PolarHBondContact OD1-N 2.99Å; N69-E86 PolarHBondContact ND2-O 3.32Å
70G90.9Very high92.3Very high45 Ų4546.2 Ų46.246%0.46426%0.261SS..SBendtrans84.6-5.9178.900000115R67 S68R67-G70 PolarHBondContact O-N 2.82Å; S68-G70 PolarHBondContact O-N 2.86Å
71L95.3Very high92.6Very high71 Ų7138.6 Ų38.637%0.37223%0.227SC..  trans-71.5147.9174.1-62.4179.4000110.8Y66 R67 N69 W73Y66-L71 CarbonylContact C-O 3.48Å; Y66-L71 VanDerWaalsContact CA-O 3.32Å; Y66-L71 WeakPolarHBondContact CA-O 3.38Å; R67-L71 PolarHBondContact N-O 3.27Å; N69-L71 VanDerWaalsContact C-N 3.31Å; N69-L71 PolarHBondContact O-N 2.79Å; N69-L71 VanDerWaalsContact OD1-CB 3.31Å; N69-L71 WeakPolarHBondContact OD1-CB 3.4Å; N69-L71 WeakPolarHBondContact OD1-CG 3.34Å; N69-L71 PolarHBondContact OD1-N 2.99Å; L71-W73 PolarHBondContact O-N 3.29Å
72I95.9Very high92.8Very high74 Ų7440.9 Ų40.938%0.37924%0.236SC..EExtended strand (participates in β ladder)trans-62.5130173.2-61.7173.5000108.1T64 Y66 N75 F84T64-I72 HydrophobicContact CG2-CD1 4.41Å; T64-I72 HydrophobicContact CG2-CG1 4.19Å; T64-I72 HydrophobicContact CG2-CG2 4.17Å; Y66-I72 HydrophobicContact CD1-CG1 4.21Å; Y66-I72 HydrophobicContact CE1-CG1 3.98Å; I72-N75 HydrophobicContact CG2-CB 4.21Å; I72-F84 HydrophobicContact CB-CD2 4.4Å; I72-F84 HydrophobicContact CG2-CD2 3.85Å; I72-F84 HydrophobicContact CG2-CE2 3.85Å; I72-F84 VanDerWaalsContact O-CB 3.29Å; I72-F84 WeakPolarHBondContact O-CB 3.22Å
73W95.7Very high92.7Very high39 Ų3939.1 Ų39.115%0.14822%0.224CC..EExtended strand (participates in β ladder)trans-103-41.5175.1177.731.8000112C65 R67 L71 C83 F84 F113 A114 M115C65-W73 HydrophobicContact CB-CE3 4.45Å; C65-W73 PolarHBondContact O-N 3Å; R67-W73 HydrophobicContact CG-CB 3.73Å; R67-W73 HydrophobicContact CG-CG 4.13Å; L71-W73 PolarHBondContact O-N 3.29Å; W73-C83 CarbonylContact O-C 3.54Å; W73-C83 VanDerWaalsContact O-CA 3.29Å; W73-C83 WeakPolarHBondContact O-CA 3.27Å; W73-F84 VanDerWaalsContact CD1-O 3.3Å; W73-F84 PolarHBondContact O-N 3.29Å; W73-F113 HydrophobicContact CH2-CB 3.49Å; W73-F113 VanDerWaalsContact CH2-CB 3.49Å; W73-F113 HydrophobicContact CH2-CD1 4.38Å; W73-F113 HydrophobicContact CH2-CG 4.38Å; W73-F113 HydrophobicContact CZ2-CB 3.74Å; W73-F113 AromaticContact CZ2-CD1 3.74Å; W73-F113 HydrophobicContact CZ2-CD1 3.74Å; W73-F113 HydrophobicContact CZ2-CG 4.19Å; W73-F113 HydrophobicContact CZ3-CB 4.28Å; W73-A114 WeakPolarHBondContact CH2-O 3.31Å; W73-M115 HydrophobicContact CZ3-CB 4.11Å; W73-M115 HydrophobicContact CZ3-CG 3.82Å
74L96.4Very high92.6Very high0 Ų041.1 Ų41.10%023%0.232CC..EExtended strand (participates in β ladder)trans-140.6132.5-175.2173.569.2000108.2T64 C65 I76 F82 W94 F113 I121 I123T64-L74 CarbonylContact C-O 3.6Å; T64-L74 WeakPolarHBondContact CA-O 3.38Å; C65-L74 HydrophobicContact CB-CB 4.1Å; C65-L74 PolarHBondContact N-O 3.43Å; C65-L74 PolarHBondContact O-N 2.81Å; L74-I76 HydrophobicContact CD1-CG1 4.18Å; L74-I76 HydrophobicContact CD2-CD1 4.23Å; L74-I76 HydrophobicContact CD2-CG1 4.43Å; L74-I76 HydrophobicContact CG-CD1 4.46Å; L74-I76 HydrophobicContact CG-CG1 4.12Å; L74-F82 WeakPolarHBondContact CA-O 3.4Å; L74-W94 HydrophobicContact CD1-CH2 3.6Å; L74-W94 HydrophobicContact CD1-CZ3 4.41Å; L74-F113 HydrophobicContact CD1-CD2 4.37Å; L74-F113 HydrophobicContact CD1-CE2 4.08Å; L74-F113 HydrophobicContact CD1-CZ 4.4Å; L74-F113 HydrophobicContact CD2-CD2 4.17Å; L74-I121 HydrophobicContact CD2-CD1 3.47Å; L74-I121 VanDerWaalsContact CD2-CD1 3.47Å; L74-I121 HydrophobicContact CD2-CG2 4.27Å; L74-I123 HydrophobicContact CD1-CD1 4.16Å; L74-I123 HydrophobicContact CD2-CD1 4.47Å
75N96.5Very high92.4Very high38 Ų3840 Ų4020%0.20323%0.225CC..EExtended strand (participates in β ladder)trans-133.2128.3172.7-178.7-104.8000109A63 T64 I72 T77 G81 F82 F84A63-N75 CarbonylContact O-C 3.54Å; A63-N75 WeakPolarHBondContact O-CA 3.34Å; A63-N75 PolarHBondContact O-ND2 3.36Å; T64-N75 PolarHBondContact OG1-ND2 2.78Å; I72-N75 HydrophobicContact CG2-CB 4.21Å; N75-T77 WeakPolarHBondContact OD1-CG2 3.29Å; N75-G81 CarbonylContact O-C 3.57Å; N75-G81 WeakPolarHBondContact O-CA 3.43Å; N75-F82 PolarHBondContact N-O 2.92Å; N75-F82 PolarHBondContact O-N 3.02Å; N75-F84 HydrophobicContact CB-CE2 4.48Å
76I94.7Very high92.1Very high2 Ų246.6 Ų46.61%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-120.7134.2-178.5-51.7-176.7000107.8G61 C62 A63 L74 W94 W96 I123 V129G61-I76 WeakPolarHBondContact O-CG2 3.17Å; C62-I76 VanDerWaalsContact CA-O 3.28Å; C62-I76 WeakPolarHBondContact CA-O 3.42Å; A63-I76 HydrophobicContact CB-CB 3.96Å; A63-I76 HydrophobicContact CB-CD1 4.01Å; A63-I76 HydrophobicContact CB-CG1 4.07Å; A63-I76 PolarHBondContact N-O 3.27Å; A63-I76 PolarHBondContact O-N 2.86Å; L74-I76 HydrophobicContact CD1-CG1 4.18Å; L74-I76 HydrophobicContact CD2-CD1 4.23Å; L74-I76 HydrophobicContact CD2-CG1 4.43Å; L74-I76 HydrophobicContact CG-CD1 4.46Å; L74-I76 HydrophobicContact CG-CG1 4.12Å; I76-W94 HydrophobicContact CG1-CZ2 4.41Å; I76-W96 HydrophobicContact CG2-CH2 4.22Å; I76-W96 HydrophobicContact CG2-CZ2 3.54Å; I76-I123 HydrophobicContact CD1-CD1 3.65Å; I76-I123 HydrophobicContact CD1-CG1 4.35Å; I76-I123 HydrophobicContact CG1-CD1 4.31Å; I76-V129 HydrophobicContact CD1-CG1 4.1Å
77T91.1Very high92.1Very high34 Ų3448.9 Ų48.921%0.20928%0.277CS..  trans-137.4175.7-176.563.90000110N75 S79 G80 W96N75-T77 WeakPolarHBondContact OD1-CG2 3.29Å; T77-S79 PolarHBondContact O-N 3.21Å; T77-S79 PolarHBondContact OG1-N 3.2Å; T77-S79 PolarHBondContact OG1-OG 2.87Å; T77-G80 PolarHBondContact N-O 3.3Å; T77-G80 PolarHBondContact O-N 2.99Å; T77-G80 VanDerWaalsContact O-O 3.09Å; T77-G80 PolarHBondContact OG1-N 2.88Å; T77-G80 PolarHBondContact OG1-O 3.15Å; T77-G80 VanDerWaalsContact OG1-O 3.09Å; T77-W96 PolarHBondContact O-NE1 3.46Å
78S85.1Confident92.1Very high72 Ų7247.5 Ų47.550%0.50328%0.282SS..SBendtrans-67.9-14.6175.1550000114.8W96 Q126S78-W96 VanDerWaalsContact O-CD1 3.27Å; S78-Q126 PolarHBondContact O-NE2 3.46Å
79S82.8Confident92.4Very high41 Ų4145.7 Ų45.729%0.28726%0.263SS..SBendtrans-97-22.6177.858.20000113.4T77 N95 W96T77-S79 PolarHBondContact O-N 3.21Å; T77-S79 PolarHBondContact OG1-N 3.2Å; T77-S79 PolarHBondContact OG1-OG 2.87Å; S79-N95 VanDerWaalsContact O-CA 3.31Å; S79-N95 WeakPolarHBondContact O-CA 3.32Å; S79-W96 PolarHBondContact O-N 3.03Å
80G88.4Confident92.5Very high0 Ų045.6 Ų45.60%026%0.262CS..EExtended strand (participates in β ladder)trans160.8-142.5-174.400000111.9T77 W94 W96T77-G80 PolarHBondContact N-O 3.3Å; T77-G80 PolarHBondContact O-N 2.99Å; T77-G80 VanDerWaalsContact O-O 3.09Å; T77-G80 PolarHBondContact OG1-N 2.88Å; T77-G80 PolarHBondContact OG1-O 3.15Å; T77-G80 VanDerWaalsContact OG1-O 3.09Å; G80-W94 VanDerWaalsContact CA-O 3.26Å; G80-W94 WeakPolarHBondContact CA-O 3.21Å; G80-W96 VanDerWaalsContact CA-NE1 3.33Å; G80-W96 VanDerWaalsContact N-NE1 3.13Å
81G91.7Very high92.6Very high1 Ų151.9 Ų51.91%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-165175.6172.600000115.2N75 R93 W94N75-G81 CarbonylContact O-C 3.57Å; N75-G81 WeakPolarHBondContact O-CA 3.43Å; G81-R93 WeakPolarHBondContact O-CA 3.41Å; G81-W94 VanDerWaalsContact C-CE3 3.46Å; G81-W94 VanDerWaalsContact C-CH2 3.46Å; G81-W94 VanDerWaalsContact CA-CZ2 3.4Å; G81-W94 PolarHBondContact N-O 2.98Å; G81-W94 WeakPolarHBondContact O-CZ3 3.28Å; G81-W94 PolarHBondContact O-N 2.86Å
82F93.1Very high92.3Very high55 Ų5555.1 Ų55.124%0.24128%0.279CS..EExtended strand (participates in β ladder)trans-134.2140.8-173.4-53.7-95.9000109.9L74 N75 F84 L90 R92 R93L74-F82 WeakPolarHBondContact CA-O 3.4Å; N75-F82 PolarHBondContact N-O 2.92Å; N75-F82 PolarHBondContact O-N 3.02Å; F82-F84 HydrophobicContact CB-CD2 4.5Å; F82-F84 HydrophobicContact CB-CE2 3.61Å; F82-F84 HydrophobicContact CB-CZ 3.69Å; F82-F84 HydrophobicContact CG-CZ 4.36Å; F82-L90 HydrophobicContact CB-CD1 4.04Å; F82-L90 HydrophobicContact CD1-CD1 3.85Å; F82-L90 HydrophobicContact CG-CD1 4.45Å; F82-R92 CarbonylContact C-O 3.57Å; F82-R92 WeakPolarHBondContact CA-O 3.41Å; F82-R93 HydrophobicContact CD1-CB 4.31Å; F82-R93 HydrophobicContact CD1-CG 3.99Å; F82-R93 HydrophobicContact CE1-CG 3.86Å; F82-R93 VanDerWaalsContact CE1-NE 3.25Å
83C93.3Very high92Very high6 Ų657.9 Ų57.94%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-121.6139.5167.1-55.10000110.1W73 R91 R92 W94 F113W73-C83 CarbonylContact O-C 3.54Å; W73-C83 VanDerWaalsContact O-CA 3.29Å; W73-C83 WeakPolarHBondContact O-CA 3.27Å; C83-R91 PolarHBondContact O-N 2.95Å; C83-R92 HydrophobicContact CB-CB 4.16Å; C83-R92 PolarHBondContact N-O 2.85Å; C83-R92 PolarHBondContact O-N 2.8Å; C83-R92 VanDerWaalsContact O-N 3.15Å; C83-W94 WeakPolarHBondContact SG-CZ3 3.4Å; C83-F113 HydrophobicContact CB-CE1 4.28Å; C83-F113 WeakPolarHBondContact SG-CE1 3.09Å; C83-F113 WeakPolarHBondContact SG-CZ 3.42Å
84F94.6Very high91.6Very high46 Ų4657 Ų5720%0.20228%0.281CS..EExtended strand (participates in β ladder)trans-118.1151.3-176.6-56.6-88.8000111.1R67 I72 W73 N75 F82 G88 E89 L90R67-F84 PolarHBondContact NH2-O 2.85Å; I72-F84 HydrophobicContact CB-CD2 4.4Å; I72-F84 HydrophobicContact CG2-CD2 3.85Å; I72-F84 HydrophobicContact CG2-CE2 3.85Å; I72-F84 VanDerWaalsContact O-CB 3.29Å; I72-F84 WeakPolarHBondContact O-CB 3.22Å; W73-F84 VanDerWaalsContact CD1-O 3.3Å; W73-F84 PolarHBondContact O-N 3.29Å; N75-F84 HydrophobicContact CB-CE2 4.48Å; F82-F84 HydrophobicContact CB-CD2 4.5Å; F82-F84 HydrophobicContact CB-CE2 3.61Å; F82-F84 HydrophobicContact CB-CZ 3.69Å; F82-F84 HydrophobicContact CG-CZ 4.36Å; F84-G88 WeakPolarHBondContact CD1-O 3.34Å; F84-E89 CarbonylContact C-O 3.57Å; F84-E89 WeakPolarHBondContact CA-O 3.34Å; F84-L90 HydrophobicContact CD1-CB 4.47Å; F84-L90 HydrophobicContact CD1-CD1 4.3Å; F84-L90 HydrophobicContact CE1-CB 4.47Å; F84-L90 HydrophobicContact CE1-CD1 3.97Å; F84-L90 HydrophobicContact CZ-CD1 4.37Å
85G93.1Very high91Very high2 Ų260.6 Ų60.62%0.02130%0.301CS..  trans-80.9-165.2176.500000112.5R67 T87 E89 R91R67-G85 VanDerWaalsContact CZ-O 3.31Å; R67-G85 PolarHBondContact NE-O 2.85Å; R67-G85 VanDerWaalsContact NH2-CA 3.27Å; R67-G85 PolarHBondContact NH2-O 2.92Å; G85-T87 VanDerWaalsContact C-N 3.31Å; G85-E89 VanDerWaalsContact CA-CD 3.44Å; G85-E89 WeakPolarHBondContact CA-OE1 3.37Å; G85-E89 WeakPolarHBondContact CA-OE2 3.29Å; G85-E89 PolarHBondContact N-O 3.48Å; G85-R91 VanDerWaalsContact N-CG 3.35Å
86E91.9Very high90.2Very high138 Ų13860 Ų6065%0.64530%0.296SS*.THydrogen-bonded Turntrans-70.5-29.9-176.3-77.8-178.9-178.100112.9R67 N69 E89R67-E86 IonicContact NH1-OE1 3.3Å; N69-E86 PolarHBondContact ND2-O 3.32Å; E86-E89 PolarHBondContact N-OE2 2.82Å
87T94.4Very high89.1Confident118 Ų11863.7 Ų63.772%0.72432%0.315SS*.THydrogen-bonded Turntrans-998.4-17862.60000112.3G85 E89G85-T87 VanDerWaalsContact C-N 3.31Å; T87-E89 VanDerWaalsContact C-N 3.34Å; T87-E89 PolarHBondContact N-OE2 2.85Å; T87-E89 PolarHBondContact OG1-OE2 2.79Å
88G91.3Very high87.7Confident32 Ų3268.7 Ų68.733%0.3333%0.331SS..SBendtrans84.57.3-179.900000113.9F84F84-G88 WeakPolarHBondContact CD1-O 3.34Å
89E95Very high86.1Confident58 Ų5874.1 Ų74.127%0.27135%0.346SS..  trans-69.8139.7175.678.6-72.1-167.200111.5F84 G85 E86 T87 R91F84-E89 CarbonylContact C-O 3.57Å; F84-E89 WeakPolarHBondContact CA-O 3.34Å; G85-E89 VanDerWaalsContact CA-CD 3.44Å; G85-E89 WeakPolarHBondContact CA-OE1 3.37Å; G85-E89 WeakPolarHBondContact CA-OE2 3.29Å; G85-E89 PolarHBondContact N-O 3.48Å; E86-E89 PolarHBondContact N-OE2 2.82Å; T87-E89 VanDerWaalsContact C-N 3.34Å; T87-E89 PolarHBondContact N-OE2 2.85Å; T87-E89 PolarHBondContact OG1-OE2 2.79Å; E89-R91 PolarHBondContact O-N 2.97Å; E89-R91 IonicContact OE1-CZ 3.09Å; E89-R91 IonicContact OE1-NE 2.76Å; E89-R91 PolarHBondContact OE1-NE 2.99Å; E89-R91 IonicContact OE1-NH2 2.65Å; E89-R91 PolarHBondContact OE1-NH2 3.36Å
90L91.9Very high84.4Confident85 Ų8574.7 Ų74.745%0.44535%0.346SS..EExtended strand (participates in β ladder)trans-67.5119.5178.2-178.266.7000110.3F82 F84 R92F82-L90 HydrophobicContact CB-CD1 4.04Å; F82-L90 HydrophobicContact CD1-CD1 3.85Å; F82-L90 HydrophobicContact CG-CD1 4.45Å; F84-L90 HydrophobicContact CD1-CB 4.47Å; F84-L90 HydrophobicContact CD1-CD1 4.3Å; F84-L90 HydrophobicContact CE1-CB 4.47Å; F84-L90 HydrophobicContact CE1-CD1 3.97Å; F84-L90 HydrophobicContact CZ-CD1 4.37Å; L90-R92 WeakPolarHBondContact CD1-O 3.41Å
91R91.9Very high82.4Confident178 Ų17880 Ų8067%0.67238%0.38SS*.EExtended strand (participates in β ladder)trans-100.8-35.9179.6-70.3-69.5-174.4158.2-0.8113C83 G85 E89C83-R91 PolarHBondContact O-N 2.95Å; G85-R91 VanDerWaalsContact N-CG 3.35Å; E89-R91 PolarHBondContact O-N 2.97Å; E89-R91 IonicContact OE1-CZ 3.09Å; E89-R91 IonicContact OE1-NE 2.76Å; E89-R91 PolarHBondContact OE1-NE 2.99Å; E89-R91 IonicContact OE1-NH2 2.65Å; E89-R91 PolarHBondContact OE1-NH2 3.36Å
92R89.6Confident80.5Confident139 Ų13987.9 Ų87.953%0.52542%0.416SS..EExtended strand (participates in β ladder)trans-150144.4-180-178.9171.3-90.7167.6-8110F82 C83 L90 W94F82-R92 CarbonylContact C-O 3.57Å; F82-R92 WeakPolarHBondContact CA-O 3.41Å; C83-R92 HydrophobicContact CB-CB 4.16Å; C83-R92 PolarHBondContact N-O 2.85Å; C83-R92 PolarHBondContact O-N 2.8Å; C83-R92 VanDerWaalsContact O-N 3.15Å; L90-R92 WeakPolarHBondContact CD1-O 3.41Å; R92-W94 HydrophobicContact CG-CE3 4.3Å
93R89.3Confident78.2Confident132 Ų13288.7 Ų88.750%0.49843%0.426SS..EExtended strand (participates in β ladder)trans-132.3142168.8-179.5-172.6-66.1-163.8-7.1107.7G81 F82G81-R93 WeakPolarHBondContact O-CA 3.41Å; F82-R93 HydrophobicContact CD1-CB 4.31Å; F82-R93 HydrophobicContact CD1-CG 3.99Å; F82-R93 HydrophobicContact CE1-CG 3.86Å; F82-R93 VanDerWaalsContact CE1-NE 3.25Å
94W87Confident75.8Confident19 Ų1997.8 Ų97.87%0.07247%0.467CS..EExtended strand (participates in β ladder)trans-138.7157.9169.367.897.2000109.8L74 I76 G80 G81 C83 R92 W96 L111 I123L74-W94 HydrophobicContact CD1-CH2 3.6Å; L74-W94 HydrophobicContact CD1-CZ3 4.41Å; I76-W94 HydrophobicContact CG1-CZ2 4.41Å; G80-W94 VanDerWaalsContact CA-O 3.26Å; G80-W94 WeakPolarHBondContact CA-O 3.21Å; G81-W94 VanDerWaalsContact C-CE3 3.46Å; G81-W94 VanDerWaalsContact C-CH2 3.46Å; G81-W94 VanDerWaalsContact CA-CZ2 3.4Å; G81-W94 PolarHBondContact N-O 2.98Å; G81-W94 WeakPolarHBondContact O-CZ3 3.28Å; G81-W94 PolarHBondContact O-N 2.86Å; C83-W94 WeakPolarHBondContact SG-CZ3 3.4Å; R92-W94 HydrophobicContact CG-CE3 4.3Å; W94-W96 AromaticContact CD1-CE3 3.65Å; W94-W96 AromaticContact CD1-CZ3 3.56Å; W94-W96 AromaticContact CE2-CH2 3.96Å; W94-W96 HydrophobicContact CZ2-CH2 4.24Å; W94-W96 AromaticContact NE1-CE2 3.99Å; W94-W96 AromaticContact NE1-CE3 3.51Å; W94-W96 AromaticContact NE1-CH2 3.08Å; W94-W96 AromaticContact NE1-CZ2 3.6Å; W94-W96 AromaticContact NE1-CZ3 3.02Å; W94-L111 HydrophobicContact CD2-CD1 3.98Å; W94-L111 HydrophobicContact CE3-CD1 3.86Å; W94-L111 HydrophobicContact CH2-CD1 4.36Å; W94-L111 HydrophobicContact CZ2-CD1 4.43Å; W94-L111 HydrophobicContact CZ3-CD1 4.09Å; W94-I123 HydrophobicContact CH2-CD1 4.02Å; W94-I123 HydrophobicContact CZ2-CD1 3.71Å
95N84.7Confident73.3Confident76 Ų76101.6 Ų101.641%0.40649%0.49SS..EExtended strand (participates in β ladder)trans-118.7143172-65.5-57.9000108.6S79S79-N95 VanDerWaalsContact O-CA 3.31Å; S79-N95 WeakPolarHBondContact O-CA 3.32Å
96W80.2Confident70.9Confident26 Ų26108.7 Ų108.710%0.09853%0.526CS..THydrogen-bonded Turntrans-71.4-37177.9-53.6132000112.4I76 T77 S78 S79 G80 W94 Y98 F108 I123 Q126I76-W96 HydrophobicContact CG2-CH2 4.22Å; I76-W96 HydrophobicContact CG2-CZ2 3.54Å; T77-W96 PolarHBondContact O-NE1 3.46Å; S78-W96 VanDerWaalsContact O-CD1 3.27Å; S79-W96 PolarHBondContact O-N 3.03Å; G80-W96 VanDerWaalsContact CA-NE1 3.33Å; G80-W96 VanDerWaalsContact N-NE1 3.13Å; W94-W96 AromaticContact CD1-CE3 3.65Å; W94-W96 AromaticContact CD1-CZ3 3.56Å; W94-W96 AromaticContact CE2-CH2 3.96Å; W94-W96 HydrophobicContact CZ2-CH2 4.24Å; W94-W96 AromaticContact NE1-CE2 3.99Å; W94-W96 AromaticContact NE1-CE3 3.51Å; W94-W96 AromaticContact NE1-CH2 3.08Å; W94-W96 AromaticContact NE1-CZ2 3.6Å; W94-W96 AromaticContact NE1-CZ3 3.02Å; W96-Y98 VanDerWaalsContact C-N 3.31Å; W96-Y98 PolarHBondContact O-N 2.83Å; W96-F108 HydrophobicContact CE3-CE1 4.2Å; W96-F108 HydrophobicContact CE3-CZ 4.13Å; W96-F108 HydrophobicContact CZ3-CE1 4.26Å; W96-F108 AromaticContact CZ3-CZ 3.75Å; W96-F108 HydrophobicContact CZ3-CZ 3.75Å; W96-I123 HydrophobicContact CH2-CG2 3.5Å; W96-I123 HydrophobicContact CZ3-CG2 3.71Å; W96-Q126 HydrophobicContact CB-CB 4.22Å; W96-Q126 VanDerWaalsContact CD1-CD 3.48Å; W96-Q126 HydrophobicContact CD2-CB 3.73Å; W96-Q126 HydrophobicContact CD2-CG 4.27Å; W96-Q126 HydrophobicContact CE3-CB 4.19Å; W96-Q126 HydrophobicContact CG-CB 3.76Å; W96-Q126 HydrophobicContact CG-CG 4.1Å; W96-Q126 HydrophobicContact CZ2-CB 4.48Å
97L70.6Confident69Low79 Ų79105.2 Ų105.241%0.41452%0.516SS..THydrogen-bonded Turntrans-85.95.3-174.1-60175.9000114F99L97-F99 VanDerWaalsContact C-N 3.32Å; L97-F99 PolarHBondContact O-N 3.37Å
98Y61.2Low67.4Low140 Ų140101.4 Ų101.455%0.54949%0.489SS..  trans-73.689.6179-165.7-92.7000109.9W96 D100 P107W96-Y98 VanDerWaalsContact C-N 3.31Å; W96-Y98 PolarHBondContact O-N 2.83Å; Y98-D100 HydrophobicContact CE1-CB 3.98Å; Y98-P107 WeakPolarHBondContact O-CB 3.21Å; Y98-P107 VanDerWaalsContact O-CG 3.3Å; Y98-P107 WeakPolarHBondContact O-CG 3.14Å
99F51Low66.5Low185 Ų185108.8 Ų108.881%0.81151%0.512SS*.  trans-84.6112.3163.3-109.9-94.8000107.8L97 P101L97-F99 VanDerWaalsContact C-N 3.32Å; L97-F99 PolarHBondContact O-N 3.37Å; F99-P101 WeakPolarHBondContact O-CD 3.22Å
100D48.3Very low65.9Low54 Ų54109.4 Ų109.429%0.28952%0.521SS..  trans-83112.4162.4-172.6-29.3000107.5Y98 H102 V103Y98-D100 HydrophobicContact CE1-CB 3.98Å; D100-H102 PolarHBondContact O-N 2.88Å; D100-H102 PolarHBondContact OD1-N 2.7Å; D100-V103 HydrophobicContact CB-CB 4.06Å; D100-V103 HydrophobicContact CB-CG2 3.99Å; D100-V103 PolarHBondContact O-N 3.24Å; D100-V103 WeakPolarHBondContact OD2-CG2 3.42Å
101P45.8Very low65.8Low111 Ų111105.9 Ų105.972%0.72150%0.503SS*.THydrogen-bonded Turntrans-65.3-8.8-177.426.2-32.7000113.6F99F99-P101 WeakPolarHBondContact O-CD 3.22Å
102H51.5Low65.8Low166 Ų166102.5 Ų102.577%0.76950%0.497SS*.THydrogen-bonded Turntrans-104.40.2178.9-60.6-58.8000114D100D100-H102 PolarHBondContact O-N 2.88Å; D100-H102 PolarHBondContact OD1-N 2.7Å
103V45.1Very low66Low73 Ų7397 Ų9744%0.44248%0.477SS..  trans-120107-177.5-177.20000110D100 N105D100-V103 HydrophobicContact CB-CB 4.06Å; D100-V103 HydrophobicContact CB-CG2 3.99Å; D100-V103 PolarHBondContact O-N 3.24Å; D100-V103 WeakPolarHBondContact OD2-CG2 3.42Å; V103-N105 HydrophobicContact CG1-CB 4.01Å; V103-N105 PolarHBondContact O-N 2.78Å
104H43Very low66.1Low197 Ų19794.1 Ų94.191%0.91248%0.481SS*.  trans-70.510175.5-74-64.7000114.8
105N42Very low66.2Low125 Ų12594.7 Ų94.767%0.66849%0.485SS*.SBendtrans-113.9137.7-179.8-65.4-37.9000109.3V103V103-N105 HydrophobicContact CG1-CB 4.01Å; V103-N105 PolarHBondContact O-N 2.78Å
106L42.6Very low66.3Low151 Ų15192.6 Ų92.679%0.79148%0.482SS*.  trans-39.1133.3171.8-71.4159.5000110.7F108L106-F108 PolarHBondContact O-N 2.87Å
107P52.4Low66.6Low65 Ų6597.7 Ų97.742%0.42252%0.518SS..SBendtrans-66.8-2.3-16223.1-32.9000115.4Y98Y98-P107 WeakPolarHBondContact O-CB 3.21Å; Y98-P107 VanDerWaalsContact O-CG 3.3Å; Y98-P107 WeakPolarHBondContact O-CG 3.14Å
108F61.7Low67.6Low39 Ų3994.7 Ų94.717%0.17150%0.504CS..SBendtrans-150.7142.3171.660-81.4000112.7W96 L106 L111 I123 H124W96-F108 HydrophobicContact CE3-CE1 4.2Å; W96-F108 HydrophobicContact CE3-CZ 4.13Å; W96-F108 HydrophobicContact CZ3-CE1 4.26Å; W96-F108 AromaticContact CZ3-CZ 3.75Å; W96-F108 HydrophobicContact CZ3-CZ 3.75Å; L106-F108 PolarHBondContact O-N 2.87Å; F108-L111 HydrophobicContact CD2-CG 4.16Å; F108-I123 HydrophobicContact CE2-CG2 4.18Å; F108-I123 HydrophobicContact CZ-CG2 4.47Å; F108-H124 VanDerWaalsContact CE2-O 3.28Å; F108-H124 WeakPolarHBondContact CE2-O 3.15Å; F108-H124 WeakPolarHBondContact CZ-O 3.36Å
109K71.8Confident69.2Low187 Ų18788.2 Ų88.281%0.81348%0.478SS*.PPolyproline II helixtrans-58.9140163.5-69.9-179.3178.6-179.70108.6L111K109-L111 PolarHBondContact O-N 3.15Å
110P82.8Confident71.3Confident71 Ų7180.6 Ų80.646%0.46145%0.448SS..PPolyproline II helixtrans-49.1130.3177.9-28.735000111.6I123P110-I123 CarbonylContact C-O 3.48Å; P110-I123 VanDerWaalsContact CA-O 3.32Å; P110-I123 WeakPolarHBondContact CA-O 3.47Å
111L89.6Confident73.6Confident11 Ų1178 Ų786%0.05844%0.435CS..EExtended strand (participates in β ladder)trans-91.7123.6178.9-52.1179.4000108.8W94 F108 K109 F113 H122 I123W94-L111 HydrophobicContact CD2-CD1 3.98Å; W94-L111 HydrophobicContact CE3-CD1 3.86Å; W94-L111 HydrophobicContact CH2-CD1 4.36Å; W94-L111 HydrophobicContact CZ2-CD1 4.43Å; W94-L111 HydrophobicContact CZ3-CD1 4.09Å; F108-L111 HydrophobicContact CD2-CG 4.16Å; K109-L111 PolarHBondContact O-N 3.15Å; L111-F113 HydrophobicContact CB-CD2 4.25Å; L111-F113 HydrophobicContact CB-CE2 3.39Å; L111-F113 HydrophobicContact CB-CZ 3.78Å; L111-F113 HydrophobicContact CD1-CE2 4.12Å; L111-F113 HydrophobicContact CD1-CZ 4.11Å; L111-F113 HydrophobicContact CG-CE2 4.37Å; L111-F113 HydrophobicContact CG-CZ 4.47Å; L111-H122 CarbonylContact O-C 3.55Å; L111-H122 WeakPolarHBondContact O-CA 3.41Å; L111-I123 HydrophobicContact CB-CB 4.1Å; L111-I123 HydrophobicContact CB-CG1 4.49Å; L111-I123 PolarHBondContact N-O 3.43Å; L111-I123 PolarHBondContact O-N 2.75Å
112I92.2Very high75.9Confident106 Ų10674.6 Ų74.654%0.54441%0.409SS..EExtended strand (participates in β ladder)trans-116.3124.5178-58.3175.6000108.5I121I112-I121 CarbonylContact C-O 3.57Å; I112-I121 WeakPolarHBondContact CA-O 3.41Å
113F92.3Very high77.8Confident23 Ų2366.7 Ų66.710%0.10137%0.372CS..EExtended strand (participates in β ladder)trans-123.4110.2-177.7-63.1-74.5000109.5W73 L74 C83 L111 M115 S120 I121 I123W73-F113 HydrophobicContact CH2-CB 3.49Å; W73-F113 VanDerWaalsContact CH2-CB 3.49Å; W73-F113 HydrophobicContact CH2-CD1 4.38Å; W73-F113 HydrophobicContact CH2-CG 4.38Å; W73-F113 HydrophobicContact CZ2-CB 3.74Å; W73-F113 AromaticContact CZ2-CD1 3.74Å; W73-F113 HydrophobicContact CZ2-CD1 3.74Å; W73-F113 HydrophobicContact CZ2-CG 4.19Å; W73-F113 HydrophobicContact CZ3-CB 4.28Å; L74-F113 HydrophobicContact CD1-CD2 4.37Å; L74-F113 HydrophobicContact CD1-CE2 4.08Å; L74-F113 HydrophobicContact CD1-CZ 4.4Å; L74-F113 HydrophobicContact CD2-CD2 4.17Å; C83-F113 HydrophobicContact CB-CE1 4.28Å; C83-F113 WeakPolarHBondContact SG-CE1 3.09Å; C83-F113 WeakPolarHBondContact SG-CZ 3.42Å; L111-F113 HydrophobicContact CB-CD2 4.25Å; L111-F113 HydrophobicContact CB-CE2 3.39Å; L111-F113 HydrophobicContact CB-CZ 3.78Å; L111-F113 HydrophobicContact CD1-CE2 4.12Å; L111-F113 HydrophobicContact CD1-CZ 4.11Å; L111-F113 HydrophobicContact CG-CE2 4.37Å; L111-F113 HydrophobicContact CG-CZ 4.47Å; F113-M115 PolarHBondContact O-N 2.79Å; F113-S120 CarbonylContact O-C 3.55Å; F113-S120 VanDerWaalsContact O-CA 3.22Å; F113-S120 WeakPolarHBondContact O-CA 3.41Å; F113-I121 HydrophobicContact CB-CB 4.27Å; F113-I121 PolarHBondContact N-O 3.2Å; F113-I121 PolarHBondContact O-N 3.01Å; F113-I123 HydrophobicContact CD2-CD1 4.09Å; F113-I123 HydrophobicContact CD2-CG1 4.38Å; F113-I123 HydrophobicContact CE2-CD1 3.69Å; F113-I123 HydrophobicContact CE2-CG1 4.25Å
114A92.6Very high79.9Confident72 Ų7266.8 Ų66.860%0.59537%0.368SS*.EExtended strand (participates in β ladder)trans-81.9113.6174.400000110.5W73 G116W73-A114 WeakPolarHBondContact CH2-O 3.31Å; A114-G116 VanDerWaalsContact C-N 3.29Å
115M88.1Confident81.9Confident31 Ų3158.7 Ų58.715%0.15333%0.333CS..  trans-82.3-11.1177.8-44.4-164.560.700112.9I43 I54 C65 W73 F113 I119 I121I43-M115 HydrophobicContact CD1-CE 4.36Å; I43-M115 HydrophobicContact CD1-SD 3.44Å; I43-M115 WeakPolarHBondContact CD1-SD 3.46Å; I43-M115 HydrophobicContact CG2-SD 4.27Å; I54-M115 HydrophobicContact CB-CE 4.4Å; I54-M115 HydrophobicContact CD1-CE 4.38Å; I54-M115 HydrophobicContact CG1-CE 4.15Å; I54-M115 WeakPolarHBondContact O-CE 2.98Å; C65-M115 HydrophobicContact CB-CE 3.61Å; W73-M115 HydrophobicContact CZ3-CB 4.11Å; W73-M115 HydrophobicContact CZ3-CG 3.82Å; F113-M115 PolarHBondContact O-N 2.79Å; M115-I119 HydrophobicContact CB-CB 4.3Å; M115-I119 HydrophobicContact CB-CG2 4.19Å; M115-I119 HydrophobicContact CG-CG2 4.03Å; M115-I119 PolarHBondContact N-O 2.99Å; M115-I119 HydrophobicContact SD-CG2 3.99Å; M115-I121 HydrophobicContact CE-CD1 4.4Å; M115-I121 HydrophobicContact CG-CD1 3.86Å; M115-I121 HydrophobicContact CG-CG1 3.99Å; M115-I121 HydrophobicContact SD-CD1 3.52Å; M115-I121 VanDerWaalsContact SD-CD1 3.52Å; M115-I121 HydrophobicContact SD-CG1 3.82Å
116G86.7Confident84.1Confident33 Ų3354.7 Ų54.734%0.3431%0.311SS..SBendtrans171.4-171.3-176.700000110.1A114 C118 I119A114-G116 VanDerWaalsContact C-N 3.29Å; G116-C118 VanDerWaalsContact C-N 3.25Å; G116-C118 PolarHBondContact O-N 2.65Å; G116-I119 PolarHBondContact N-O 3.39Å
117P87.6Confident86.2Confident132 Ų13250.8 Ų50.886%0.85729%0.288SS*.SBendtrans-67.8-25.2-17525.1-32.6000113.5
118C91.4Very high88Confident16 Ų1649.8 Ų49.811%0.10828%0.282CS..SBendtrans-112.5-10.6-175.6-54.80000113.7Y18 G116 F133 M134Y18-C118 HydrophobicContact CD1-CB 4.47Å; Y18-C118 HydrophobicContact CE1-CB 4.16Å; G116-C118 VanDerWaalsContact C-N 3.25Å; G116-C118 PolarHBondContact O-N 2.65Å; C118-F133 HydrophobicContact CB-CD2 4.16Å; C118-F133 HydrophobicContact CB-CE2 3.71Å; C118-F133 HydrophobicContact CB-CZ 3.95Å; C118-F133 CarbonylContact O-C 3.5Å; C118-F133 WeakPolarHBondContact O-CA 3.35Å; C118-M134 VanDerWaalsContact CA-O 3.32Å; C118-M134 WeakPolarHBondContact CA-O 3.33Å; C118-M134 PolarHBondContact O-N 2.76Å
119I94.1Very high89.5Confident4 Ų448 Ų482%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-126.4129.4-168.9-56.7-176.6000110.7Y18 A28 I29 I43 M115 G116 V131 N132 F133Y18-I119 HydrophobicContact CE1-CD1 4.35Å; Y18-I119 WeakPolarHBondContact OH-CD1 3.38Å; A28-I119 HydrophobicContact CB-CD1 4.27Å; I29-I119 HydrophobicContact CG1-CD1 4.37Å; I43-I119 HydrophobicContact CD1-CG2 4.18Å; I43-I119 HydrophobicContact CG2-CD1 3.61Å; I43-I119 HydrophobicContact CG2-CG2 4.36Å; M115-I119 HydrophobicContact CB-CB 4.3Å; M115-I119 HydrophobicContact CB-CG2 4.19Å; M115-I119 HydrophobicContact CG-CG2 4.03Å; M115-I119 PolarHBondContact N-O 2.99Å; M115-I119 HydrophobicContact SD-CG2 3.99Å; G116-I119 PolarHBondContact N-O 3.39Å; I119-V131 HydrophobicContact CG2-CG1 4.25Å; I119-N132 WeakPolarHBondContact CA-O 3.31Å; I119-F133 HydrophobicContact CD1-CD2 4.21Å; I119-F133 HydrophobicContact CG1-CD2 3.75Å; I119-F133 HydrophobicContact CG1-CE2 4.32Å
120S95.4Very high90.7Very high26 Ų2641.7 Ų41.718%0.18225%0.246CC..EExtended strand (participates in β ladder)trans-136.3148.6172.465.10000112.6F113 H122 N132F113-S120 CarbonylContact O-C 3.55Å; F113-S120 VanDerWaalsContact O-CA 3.22Å; F113-S120 WeakPolarHBondContact O-CA 3.41Å; S120-H122 PolarHBondContact OG-CD2 2.91Å; S120-H122 PolarHBondContact OG-NE2 3.46Å; S120-N132 PolarHBondContact N-O 2.98Å; S120-N132 PolarHBondContact O-N 2.97Å
121I95.9Very high91.3Very high0 Ų038.3 Ų38.30%022%0.224CC..EExtended strand (participates in β ladder)trans-107.3129.5174.1-53.3162.7000108F57 C65 L74 I112 F113 M115 I123 V129 Y130F57-I121 HydrophobicContact CE1-CD1 4.47Å; F57-I121 HydrophobicContact CE1-CG2 4.32Å; F57-I121 HydrophobicContact CZ-CD1 3.67Å; F57-I121 HydrophobicContact CZ-CG1 3.92Å; F57-I121 HydrophobicContact CZ-CG2 4.44Å; C65-I121 WeakPolarHBondContact SG-CD1 3.33Å; L74-I121 HydrophobicContact CD2-CD1 3.47Å; L74-I121 VanDerWaalsContact CD2-CD1 3.47Å; L74-I121 HydrophobicContact CD2-CG2 4.27Å; I112-I121 CarbonylContact C-O 3.57Å; I112-I121 WeakPolarHBondContact CA-O 3.41Å; F113-I121 HydrophobicContact CB-CB 4.27Å; F113-I121 PolarHBondContact N-O 3.2Å; F113-I121 PolarHBondContact O-N 3.01Å; M115-I121 HydrophobicContact CE-CD1 4.4Å; M115-I121 HydrophobicContact CG-CD1 3.86Å; M115-I121 HydrophobicContact CG-CG1 3.99Å; M115-I121 HydrophobicContact SD-CD1 3.52Å; M115-I121 VanDerWaalsContact SD-CD1 3.52Å; M115-I121 HydrophobicContact SD-CG1 3.82Å; I121-I123 HydrophobicContact CG2-CG1 4.11Å; I121-V129 HydrophobicContact CG2-CG1 4.26Å; I121-Y130 CarbonylContact C-O 3.52Å; I121-Y130 WeakPolarHBondContact CA-O 3.26Å
122H94.8Very high91.6Very high38 Ų3838 Ų3818%0.17622%0.223CC..EExtended strand (participates in β ladder)trans-118.2120.3178.8-68.3-142000108.8L111 S120 V129 Y130 N132L111-H122 CarbonylContact O-C 3.55Å; L111-H122 WeakPolarHBondContact O-CA 3.41Å; S120-H122 PolarHBondContact OG-CD2 2.91Å; S120-H122 PolarHBondContact OG-NE2 3.46Å; H122-V129 CarbonylContact O-C 3.59Å; H122-V129 WeakPolarHBondContact O-CA 3.4Å; H122-Y130 PolarHBondContact N-O 3.37Å; H122-Y130 PolarHBondContact O-N 3.47Å; H122-N132 PolarHBondContact CD2-ND2 3.47Å; H122-N132 VanDerWaalsContact CD2-ND2 3.26Å
123I92.3Very high91.6Very high0 Ų033 Ų330%020%0.197CC..EExtended strand (participates in β ladder)trans-113.9116.5-178.9-47.5-174.4000108.3L74 I76 W94 W96 F108 P110 L111 F113 I121 V129L74-I123 HydrophobicContact CD1-CD1 4.16Å; L74-I123 HydrophobicContact CD2-CD1 4.47Å; I76-I123 HydrophobicContact CD1-CD1 3.65Å; I76-I123 HydrophobicContact CD1-CG1 4.35Å; I76-I123 HydrophobicContact CG1-CD1 4.31Å; W94-I123 HydrophobicContact CH2-CD1 4.02Å; W94-I123 HydrophobicContact CZ2-CD1 3.71Å; W96-I123 HydrophobicContact CH2-CG2 3.5Å; W96-I123 HydrophobicContact CZ3-CG2 3.71Å; F108-I123 HydrophobicContact CE2-CG2 4.18Å; F108-I123 HydrophobicContact CZ-CG2 4.47Å; P110-I123 CarbonylContact C-O 3.48Å; P110-I123 VanDerWaalsContact CA-O 3.32Å; P110-I123 WeakPolarHBondContact CA-O 3.47Å; L111-I123 HydrophobicContact CB-CB 4.1Å; L111-I123 HydrophobicContact CB-CG1 4.49Å; L111-I123 PolarHBondContact N-O 3.43Å; L111-I123 PolarHBondContact O-N 2.75Å; F113-I123 HydrophobicContact CD2-CD1 4.09Å; F113-I123 HydrophobicContact CD2-CG1 4.38Å; F113-I123 HydrophobicContact CE2-CD1 3.69Å; F113-I123 HydrophobicContact CE2-CG1 4.25Å; I121-I123 HydrophobicContact CG2-CG1 4.11Å; I123-V129 HydrophobicContact CG1-CG1 4.29Å; I123-V129 HydrophobicContact CG2-CG2 4.23Å
124H88.1Confident91.6Very high75 Ų7537.6 Ų37.635%0.34722%0.22SC..SBendtrans-115-37.2177.7-56.178.3000112.8F108 C128 Y130F108-H124 VanDerWaalsContact CE2-O 3.28Å; F108-H124 WeakPolarHBondContact CE2-O 3.15Å; F108-H124 WeakPolarHBondContact CZ-O 3.36Å; H124-C128 HydrophobicContact CB-CB 3.8Å; H124-C128 PolarHBondContact N-O 2.73Å; H124-C128 PolarHBondContact ND1-O 3.35Å; H124-Y130 AromaticContact CE1-CD2 3.96Å; H124-Y130 AromaticContact ND1-CD2 3.78Å; H124-Y130 AromaticContact ND1-CE2 3.77Å
125S86.3Confident91.3Very high28 Ų2837.2 Ų37.220%0.19620%0.204CC..SBendtrans-151.6-177.9172.375.20000108.2E127 C128 V129S125-E127 WeakPolarHBondContact CB-OE2 3.35Å; S125-E127 PolarHBondContact O-N 3.29Å; S125-E127 PolarHBondContact OG-N 3.09Å; S125-E127 PolarHBondContact OG-OE2 3.25Å; S125-C128 PolarHBondContact O-N 3.45Å; S125-C128 WeakPolarHBondContact OG-CB 3.26Å; S125-C128 PolarHBondContact OG-N 3.33Å; S125-V129 VanDerWaalsContact O-CG2 3.31Å; S125-V129 WeakPolarHBondContact O-CG2 3.49Å
126Q87.1Confident91.1Very high40 Ų4043.5 Ų43.519%0.18723%0.23CC..SBendtrans-61-35.9174.9-176.9172.9-4.400112.1S78 W96 G145 S146S78-Q126 PolarHBondContact O-NE2 3.46Å; W96-Q126 HydrophobicContact CB-CB 4.22Å; W96-Q126 VanDerWaalsContact CD1-CD 3.48Å; W96-Q126 HydrophobicContact CD2-CB 3.73Å; W96-Q126 HydrophobicContact CD2-CG 4.27Å; W96-Q126 HydrophobicContact CE3-CB 4.19Å; W96-Q126 HydrophobicContact CG-CB 3.76Å; W96-Q126 HydrophobicContact CG-CG 4.1Å; W96-Q126 HydrophobicContact CZ2-CB 4.48Å; Q126-G145 WeakPolarHBondContact O-CA 3.42Å; Q126-S146 PolarHBondContact O-N 3.02Å
127E87.1Confident90.9Very high69 Ų6951 Ų5132%0.32226%0.257SS..SBendtrans-90.7-28.1-178.3-46.779.1-170.900111.6S125 V129 S146 L148S125-E127 WeakPolarHBondContact CB-OE2 3.35Å; S125-E127 PolarHBondContact O-N 3.29Å; S125-E127 PolarHBondContact OG-N 3.09Å; S125-E127 PolarHBondContact OG-OE2 3.25Å; E127-V129 PolarHBondContact O-N 2.96Å; E127-S146 VanDerWaalsContact CA-O 3.31Å; E127-S146 WeakPolarHBondContact CA-O 3.3Å; E127-S146 WeakPolarHBondContact CB-O 3.33Å; E127-L148 HydrophobicContact CG-CB 4.4Å; E127-L148 HydrophobicContact CG-CD1 4.15Å; E127-L148 HydrophobicContact CG-CG 4.43Å
128C90.6Very high90.5Very high44 Ų4447.8 Ų47.830%0.29723%0.232SC..  trans-97.961.5-178.9-63.40000111.8H124 S125 Y130H124-C128 HydrophobicContact CB-CB 3.8Å; H124-C128 PolarHBondContact N-O 2.73Å; H124-C128 PolarHBondContact ND1-O 3.35Å; S125-C128 PolarHBondContact O-N 3.45Å; S125-C128 WeakPolarHBondContact OG-CB 3.26Å; S125-C128 PolarHBondContact OG-N 3.33Å; C128-Y130 HydrophobicContact CB-CE2 4.02Å
129V93.4Very high90.4Very high2 Ų251.4 Ų51.41%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-108130.2171.4-170.70000109.8I76 I121 H122 I123 S125 E127 V144 G145I76-V129 HydrophobicContact CD1-CG1 4.1Å; I121-V129 HydrophobicContact CG2-CG1 4.26Å; H122-V129 CarbonylContact O-C 3.59Å; H122-V129 WeakPolarHBondContact O-CA 3.4Å; I123-V129 HydrophobicContact CG1-CG1 4.29Å; I123-V129 HydrophobicContact CG2-CG2 4.23Å; S125-V129 VanDerWaalsContact O-CG2 3.31Å; S125-V129 WeakPolarHBondContact O-CG2 3.49Å; E127-V129 PolarHBondContact O-N 2.96Å; V129-V144 HydrophobicContact CB-CG2 4.04Å; V129-V144 HydrophobicContact CG1-CG2 3.69Å; V129-V144 WeakPolarHBondContact O-CG2 3.37Å; V129-V144 PolarHBondContact O-N 3.32Å; V129-G145 PolarHBondContact O-N 2.93Å
130Y95.3Very high90.2Very high55 Ų5552.2 Ų52.222%0.21625%0.252CS..EExtended strand (participates in β ladder)trans-130.2133.4-175.2-53.7-77.1000112.7I121 H122 H124 C128 R141 F142I121-Y130 CarbonylContact C-O 3.52Å; I121-Y130 WeakPolarHBondContact CA-O 3.26Å; H122-Y130 PolarHBondContact N-O 3.37Å; H122-Y130 PolarHBondContact O-N 3.47Å; H124-Y130 AromaticContact CE1-CD2 3.96Å; H124-Y130 AromaticContact ND1-CD2 3.78Å; H124-Y130 AromaticContact ND1-CE2 3.77Å; C128-Y130 HydrophobicContact CB-CE2 4.02Å; Y130-R141 HydrophobicContact CD1-CG 3.89Å; Y130-R141 HydrophobicContact CG-CG 4.18Å; Y130-F142 VanDerWaalsContact CA-O 3.27Å; Y130-F142 WeakPolarHBondContact CA-O 3.37Å
131V96.2Very high90.1Very high0 Ų057.5 Ų57.50%027%0.268CS..EExtended strand (participates in β ladder)trans-93.8121.6162.1179.80000107.9I29 I43 F57 I119 R141 F142 V144I29-V131 HydrophobicContact CD1-CG1 3.84Å; I43-V131 HydrophobicContact CD1-CG1 3.79Å; I43-V131 HydrophobicContact CD1-CG2 4.23Å; F57-V131 HydrophobicContact CD1-CG2 4.19Å; F57-V131 HydrophobicContact CD2-CG2 4.01Å; F57-V131 HydrophobicContact CE1-CG2 3.89Å; F57-V131 HydrophobicContact CE2-CG2 3.76Å; F57-V131 HydrophobicContact CG-CG2 4.25Å; F57-V131 HydrophobicContact CZ-CG2 3.68Å; I119-V131 HydrophobicContact CG2-CG1 4.25Å; V131-R141 WeakPolarHBondContact O-CA 3.28Å; V131-F142 HydrophobicContact CB-CB 4.49Å; V131-F142 PolarHBondContact N-O 2.96Å; V131-F142 PolarHBondContact O-N 3.48Å; V131-V144 HydrophobicContact CG2-CG1 3.96Å; V131-V144 HydrophobicContact CG2-CG2 3.92Å
132N95.3Very high90Very high5 Ų558.3 Ų58.33%0.02727%0.272CS..EExtended strand (participates in β ladder)trans-109.6133.2177.4-63.1-93.7000108.9I119 S120 H122 H139 R141I119-N132 WeakPolarHBondContact CA-O 3.31Å; S120-N132 PolarHBondContact N-O 2.98Å; S120-N132 PolarHBondContact O-N 2.97Å; H122-N132 PolarHBondContact CD2-ND2 3.47Å; H122-N132 VanDerWaalsContact CD2-ND2 3.26Å; N132-H139 PolarHBondContact OD1-NE2 2.81Å; N132-R141 PolarHBondContact OD1-NE 3.22Å
133F93.5Very high89.9Confident1 Ų159.9 Ų59.90%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-112.8128.4165-177.5-81.3000108.7V16 Y18 A28 I29 C118 I119 H139 V140V16-F133 HydrophobicContact CG1-CB 4.23Å; V16-F133 HydrophobicContact CG1-CD1 3.68Å; V16-F133 HydrophobicContact CG1-CD2 3.75Å; V16-F133 HydrophobicContact CG1-CE1 3.9Å; V16-F133 HydrophobicContact CG1-CE2 3.98Å; V16-F133 HydrophobicContact CG1-CG 3.62Å; V16-F133 HydrophobicContact CG1-CZ 4.05Å; Y18-F133 AromaticContact CD1-CE2 3.9Å; Y18-F133 HydrophobicContact CD1-CE2 3.9Å; Y18-F133 HydrophobicContact CD1-CZ 4.27Å; Y18-F133 AromaticContact CE1-CE2 3.96Å; Y18-F133 HydrophobicContact CE1-CE2 3.96Å; A28-F133 HydrophobicContact CB-CD2 3.99Å; A28-F133 HydrophobicContact CB-CE2 3.58Å; I29-F133 HydrophobicContact CD1-CB 4.05Å; C118-F133 HydrophobicContact CB-CD2 4.16Å; C118-F133 HydrophobicContact CB-CE2 3.71Å; C118-F133 HydrophobicContact CB-CZ 3.95Å; C118-F133 CarbonylContact O-C 3.5Å; C118-F133 WeakPolarHBondContact O-CA 3.35Å; I119-F133 HydrophobicContact CD1-CD2 4.21Å; I119-F133 HydrophobicContact CG1-CD2 3.75Å; I119-F133 HydrophobicContact CG1-CE2 4.32Å; F133-H139 WeakPolarHBondContact O-CA 3.41Å; F133-H139 PolarHBondContact O-CD2 2.85Å; F133-V140 HydrophobicContact CB-CG1 3.75Å; F133-V140 HydrophobicContact CD1-CG1 4.44Å; F133-V140 HydrophobicContact CG-CG1 4.46Å; F133-V140 PolarHBondContact N-O 2.9Å; F133-V140 PolarHBondContact O-N 3.26Å
134M91Very high89.9Confident118 Ų11860.2 Ų60.258%0.58129%0.289SS*.EExtended strand (participates in β ladder)trans-137.5127.3-179.2-169.117565.700110.4C118 N138C118-M134 VanDerWaalsContact CA-O 3.32Å; C118-M134 WeakPolarHBondContact CA-O 3.33Å; C118-M134 PolarHBondContact O-N 2.76Å; M134-N138 WeakPolarHBondContact CA-O 3.47Å
135Y86.6Confident89.8Confident65 Ų6557.1 Ų57.126%0.25528%0.277SS..EExtended strand (participates in β ladder)trans-148117.1171.8-177.9-92.2000110.6P19 L20 E137 N138P19-Y135 HydrophobicContact CB-CD1 3.88Å; P19-Y135 HydrophobicContact CB-CE1 3.71Å; P19-Y135 HydrophobicContact CB-CG 4.41Å; P19-Y135 HydrophobicContact CG-CD1 3.15Å; P19-Y135 HydrophobicContact CG-CD2 3.53Å; P19-Y135 HydrophobicContact CG-CE1 3.33Å; P19-Y135 HydrophobicContact CG-CE2 3.72Å; P19-Y135 HydrophobicContact CG-CG 3.23Å; L20-Y135 HydrophobicContact CD1-CE1 4.2Å; L20-Y135 WeakPolarHBondContact CD1-OH 3.12Å; Y135-E137 PolarHBondContact O-N 3.27Å; Y135-N138 PolarHBondContact N-O 3Å; Y135-N138 WeakPolarHBondContact O-CB 3.37Å; Y135-N138 PolarHBondContact O-N 3.01Å
136K84.6Confident89.7Confident162 Ų16256.9 Ų56.970%0.70428%0.276SS*.THydrogen-bonded Turntrans52-123.6-171.3-60179.9179.1-178.40109.9N138K136-N138 VanDerWaalsContact C-N 3.34Å
137E82.4Confident89.1Confident192 Ų19260.2 Ų60.290%0.89729%0.291SS*.THydrogen-bonded Turntrans-84.7-8.8179.6-61.2179.1176.400113.1Y135Y135-E137 PolarHBondContact O-N 3.27Å
138N79.9Confident87.6Confident64 Ų6462.6 Ų62.634%0.34231%0.306SS..EExtended strand (participates in β ladder)trans-85.9127.2179.6-64.2-44.2000110.4F5 M134 Y135 K136F5-N138 HydrophobicContact CD1-CB 4.03Å; F5-N138 HydrophobicContact CD2-CB 4.44Å; F5-N138 HydrophobicContact CE1-CB 3.72Å; F5-N138 WeakPolarHBondContact CE1-OD1 3.42Å; F5-N138 HydrophobicContact CE2-CB 4.17Å; F5-N138 HydrophobicContact CG-CB 4.39Å; F5-N138 HydrophobicContact CZ-CB 3.81Å; M134-N138 WeakPolarHBondContact CA-O 3.47Å; Y135-N138 PolarHBondContact N-O 3Å; Y135-N138 WeakPolarHBondContact O-CB 3.37Å; Y135-N138 PolarHBondContact O-N 3.01Å; K136-N138 VanDerWaalsContact C-N 3.34Å
139H88.1Confident85.5Confident92 Ų9267.8 Ų67.843%0.42633%0.325SS..EExtended strand (participates in β ladder)trans-137.5137.4175.6175.5-103.6000110.1N132 F133N132-H139 PolarHBondContact OD1-NE2 2.81Å; F133-H139 WeakPolarHBondContact O-CA 3.41Å; F133-H139 PolarHBondContact O-CD2 2.85Å
140V91.1Very high82.7Confident20 Ų2075.2 Ų75.212%0.12136%0.364CS..EExtended strand (participates in β ladder)trans-138.8142169.162.20000109.4F5 L6 V16 F133 F142F5-V140 HydrophobicContact CE2-CB 4.3Å; F5-V140 HydrophobicContact CE2-CG1 4.18Å; L6-V140 HydrophobicContact CD2-CG2 4.32Å; V16-V140 HydrophobicContact CG1-CG1 4.32Å; V16-V140 HydrophobicContact CG2-CG1 3.8Å; F133-V140 HydrophobicContact CB-CG1 3.75Å; F133-V140 HydrophobicContact CD1-CG1 4.44Å; F133-V140 HydrophobicContact CG-CG1 4.46Å; F133-V140 PolarHBondContact N-O 2.9Å; F133-V140 PolarHBondContact O-N 3.26Å; V140-F142 HydrophobicContact CG1-CE2 3.9Å; V140-F142 HydrophobicContact CG1-CZ 4.13Å; V140-F142 HydrophobicContact CG2-CE1 4.08Å; V140-F142 HydrophobicContact CG2-CE2 3.94Å; V140-F142 HydrophobicContact CG2-CZ 3.6Å
141R93.5Very high79.8Confident137 Ų13775.5 Ų75.552%0.51737%0.372SS..EExtended strand (participates in β ladder)trans-125.6134.2179.9-179.2-177.1-69.4175.13109.7Y130 V131 N132Y130-R141 HydrophobicContact CD1-CG 3.89Å; Y130-R141 HydrophobicContact CG-CG 4.18Å; V131-R141 WeakPolarHBondContact O-CA 3.28Å; N132-R141 PolarHBondContact OD1-NE 3.22Å
142F92.4Very high77Confident17 Ų1779.4 Ų79.48%0.07540%0.398CS..EExtended strand (participates in β ladder)trans-113.2129.7173.3-56.8-76.5000109.5L6 V16 I29 I31 Y41 Y130 V131 V140 V144L6-F142 HydrophobicContact CD1-CZ 4.25Å; V16-F142 HydrophobicContact CG2-CE2 3.65Å; V16-F142 HydrophobicContact CG2-CZ 3.53Å; I29-F142 HydrophobicContact CD1-CD2 4.02Å; I29-F142 HydrophobicContact CD1-CE2 3.73Å; I29-F142 HydrophobicContact CG2-CE2 4.38Å; I31-F142 HydrophobicContact CD1-CD1 4.18Å; I31-F142 HydrophobicContact CD1-CE1 3.43Å; I31-F142 VanDerWaalsContact CD1-CE1 3.43Å; I31-F142 HydrophobicContact CD1-CZ 3.82Å; I31-F142 HydrophobicContact CG1-CE1 4.47Å; Y41-F142 HydrophobicContact CD1-CB 4.11Å; Y41-F142 HydrophobicContact CD1-CD1 4.25Å; Y41-F142 HydrophobicContact CD1-CG 4.07Å; Y41-F142 HydrophobicContact CE1-CB 3.68Å; Y41-F142 AromaticContact CE1-CD1 3.52Å; Y41-F142 HydrophobicContact CE1-CD1 3.52Å; Y41-F142 HydrophobicContact CE1-CE1 4.33Å; Y41-F142 AromaticContact CE1-CG 3.67Å; Y41-F142 HydrophobicContact CE1-CG 3.67Å; Y130-F142 VanDerWaalsContact CA-O 3.27Å; Y130-F142 WeakPolarHBondContact CA-O 3.37Å; V131-F142 HydrophobicContact CB-CB 4.49Å; V131-F142 PolarHBondContact N-O 2.96Å; V131-F142 PolarHBondContact O-N 3.48Å; V140-F142 HydrophobicContact CG1-CE2 3.9Å; V140-F142 HydrophobicContact CG1-CZ 4.13Å; V140-F142 HydrophobicContact CG2-CE1 4.08Å; V140-F142 HydrophobicContact CG2-CE2 3.94Å; V140-F142 HydrophobicContact CG2-CZ 3.6Å; F142-V144 HydrophobicContact CB-CG1 4.21Å
143S92.3Very high74.4Confident71 Ų7184.5 Ų84.550%0.49743%0.432SS..EExtended strand (participates in β ladder)trans-78.9123.2168.3-165.60000108.5
144V93Very high72Confident7 Ų791.8 Ų91.84%0.04247%0.466CS..  trans-132.210.2-175.9-58.90000111.9Y41 F57 V129 V131 F142Y41-V144 HydrophobicContact CD2-CG1 3.55Å; Y41-V144 HydrophobicContact CE2-CG1 3.73Å; Y41-V144 HydrophobicContact CG-CG1 3.98Å; F57-V144 HydrophobicContact CB-CB 4.06Å; F57-V144 HydrophobicContact CB-CG1 4.2Å; F57-V144 HydrophobicContact CD1-CB 3.87Å; F57-V144 HydrophobicContact CD1-CG1 4.42Å; F57-V144 HydrophobicContact CD1-CG2 3.47Å; F57-V144 VanDerWaalsContact CD1-CG2 3.47Å; F57-V144 HydrophobicContact CE1-CG2 3.93Å; F57-V144 HydrophobicContact CG-CB 4.19Å; F57-V144 HydrophobicContact CG-CG1 4.34Å; F57-V144 HydrophobicContact CG-CG2 4.2Å; V129-V144 HydrophobicContact CB-CG2 4.04Å; V129-V144 HydrophobicContact CG1-CG2 3.69Å; V129-V144 WeakPolarHBondContact O-CG2 3.37Å; V129-V144 PolarHBondContact O-N 3.32Å; V131-V144 HydrophobicContact CG2-CG1 3.96Å; V131-V144 HydrophobicContact CG2-CG2 3.92Å; F142-V144 HydrophobicContact CB-CG1 4.21Å
145G87.2Confident69.6Low10 Ų1088.1 Ų88.110%0.10345%0.452CS..SBendtrans-70.3170.8173.500000111.7Q126 V129Q126-G145 WeakPolarHBondContact O-CA 3.42Å; V129-G145 PolarHBondContact O-N 2.93Å
146S82.8Confident67.5Low24 Ų2488.4 Ų88.417%0.16846%0.456CS..PPolyproline II helixtrans-64136.5171.9-168.60000109.5Q126 E127Q126-S146 PolarHBondContact O-N 3.02Å; E127-S146 VanDerWaalsContact CA-O 3.31Å; E127-S146 WeakPolarHBondContact CA-O 3.3Å; E127-S146 WeakPolarHBondContact CB-O 3.33Å
147E74.3Confident65.6Low110 Ų11083.3 Ų83.351%0.51444%0.443SS..PPolyproline II helixtrans-63.9145.3157.7-72.7-175178.500108.9H38 E149H38-E147 IonicContact CD2-OE1 2.78Å; H38-E147 PolarHBondContact CD2-OE1 2.88Å; H38-E147 VanDerWaalsContact CD2-OE1 3.3Å; H38-E147 IonicContact CD2-OE2 3.77Å; H38-E147 IonicContact CE1-OE2 3.69Å; H38-E147 IonicContact NE2-OE1 2.72Å; H38-E147 PolarHBondContact NE2-OE1 2.84Å; H38-E147 IonicContact NE2-OE2 3.47Å; H38-E147 PolarHBondContact NE2-OE2 2.81Å; E147-E149 PolarHBondContact O-N 3.47Å
148L56.6Low63.8Low119 Ų11980.3 Ų80.362%0.62343%0.429SS*.  trans-75.992.4-175.8-154.9146.7000107.6E127 L150E127-L148 HydrophobicContact CG-CB 4.4Å; E127-L148 HydrophobicContact CG-CD1 4.15Å; E127-L148 HydrophobicContact CG-CG 4.43Å; L148-L150 HydrophobicContact CD2-CD2 3.61Å; L148-L150 HydrophobicContact CD2-CG 3.91Å; L148-L150 PolarHBondContact O-N 3.44Å; L148-L150 VanDerWaalsContact O-N 3.16Å
149E45.5Very low62.1Low152 Ų15281.1 Ų81.171%0.7143%0.433SS*.  trans-67.7110.6162.7-75.3-171.7173.700106.5E147 T151E147-E149 PolarHBondContact O-N 3.47Å; E149-T151 PolarHBondContact O-N 3.42Å; E149-T151 PolarHBondContact O-OG1 3.05Å
150L35.1Very low60.4Low158 Ų15878.1 Ų78.183%0.82743%0.427SS*.  trans-67.869.2167.4-73.2168.2000108.5L148L148-L150 HydrophobicContact CD2-CD2 3.61Å; L148-L150 HydrophobicContact CD2-CG 3.91Å; L148-L150 PolarHBondContact O-N 3.44Å; L148-L150 VanDerWaalsContact O-N 3.16Å
151T35.5Very low58.6Low61 Ų6182.4 Ų82.437%0.37445%0.446SS..  trans-70.7127.5163.821.40000107.3E149 S155 H156E149-T151 PolarHBondContact O-N 3.42Å; E149-T151 PolarHBondContact O-OG1 3.05Å; T151-S155 WeakPolarHBondContact CB-OG 3.43Å; T151-H156 WeakPolarHBondContact CB-NE2 3.46Å; T151-H156 PolarHBondContact O-CD2 3.41Å; T151-H156 PolarHBondContact O-NE2 3.24Å; T151-H156 PolarHBondContact OG1-CE1 2.92Å; T151-H156 PolarHBondContact OG1-NE2 2.95Å
152C36.2Very low56.8Low82 Ų8278.3 Ų78.355%0.55444%0.438SS*.  trans-47.9145.9-179.2-70.40000111.1E154 S155C152-E154 PolarHBondContact O-N 3.18Å; C152-S155 PolarHBondContact N-OG 3.42Å; C152-S155 PolarHBondContact O-N 2.84Å; C152-S155 PolarHBondContact O-OG 3.28Å
153P41.6Very low55.2Low113 Ų11380.4 Ų80.473%0.73445%0.45SS*.Hα-helixtrans-50.1-30.6179.2-26.132.4000113.6H156 A157P153-H156 PolarHBondContact O-N 3.5Å; P153-A157 PolarHBondContact O-N 3.27Å; P153-A157 VanDerWaalsContact O-N 3.12Å
154E41.4Very low53.9Low153 Ų15382.1 Ų82.172%0.71545%0.453SS*.Hα-helixtrans-63.9-37.6177.8-65.2172.3171.700113.3C152 Q158C152-E154 PolarHBondContact O-N 3.18Å; E154-Q158 WeakPolarHBondContact O-CG 3.29Å; E154-Q158 PolarHBondContact O-N 3.03Å
155S40.6Very low52.8Low42 Ų4287.8 Ų87.829%0.29448%0.479SS..Hα-helixtrans-74.9-28.4176.849.70000113.5T151 C152 Q158 L159T151-S155 WeakPolarHBondContact CB-OG 3.43Å; C152-S155 PolarHBondContact N-OG 3.42Å; C152-S155 PolarHBondContact O-N 2.84Å; C152-S155 PolarHBondContact O-OG 3.28Å; S155-Q158 PolarHBondContact O-N 2.92Å; S155-L159 PolarHBondContact O-N 3.26Å
156H43.3Very low51.6Low71 Ų7196.4 Ų96.433%0.32951%0.508SS..Hα-helixtrans-73.4-35.4173.7-72.3-81.3000112.2T151 P153 Q158 L159 G160T151-H156 WeakPolarHBondContact CB-NE2 3.46Å; T151-H156 PolarHBondContact O-CD2 3.41Å; T151-H156 PolarHBondContact O-NE2 3.24Å; T151-H156 PolarHBondContact OG1-CE1 2.92Å; T151-H156 PolarHBondContact OG1-NE2 2.95Å; P153-H156 PolarHBondContact O-N 3.5Å; H156-Q158 VanDerWaalsContact C-N 3.3Å; H156-L159 PolarHBondContact O-N 2.98Å; H156-G160 PolarHBondContact O-N 3.41Å
157A45.6Very low51Low54 Ų5498.9 Ų98.945%0.44652%0.517SS..Hα-helixtrans-61.1-41.5171.100000111P153 Q161P153-A157 PolarHBondContact O-N 3.27Å; P153-A157 VanDerWaalsContact O-N 3.12Å; A157-Q161 VanDerWaalsContact O-CB 3.27Å; A157-Q161 WeakPolarHBondContact O-CB 3.22Å; A157-Q161 VanDerWaalsContact O-CG 3.22Å; A157-Q161 WeakPolarHBondContact O-CG 3.31Å; A157-Q161 PolarHBondContact O-N 3.36Å
158Q43.9Very low51.4Low130 Ų13098.3 Ų98.361%0.60752%0.517SS*.Hα-helixtrans-68.4-41.2176.4-71.7174.10.700113E154 S155 H156 Q161 S162E154-Q158 WeakPolarHBondContact O-CG 3.29Å; E154-Q158 PolarHBondContact O-N 3.03Å; S155-Q158 PolarHBondContact O-N 2.92Å; H156-Q158 VanDerWaalsContact C-N 3.3Å; Q158-Q161 PolarHBondContact O-N 3.23Å; Q158-S162 WeakPolarHBondContact O-CB 3.34Å; Q158-S162 PolarHBondContact O-N 3.39Å
159L43.6Very low52.1Low81 Ų8197.7 Ų97.742%0.42451%0.511SS..Hα-helixtrans-66.5-43.3175.6-174.165.1000111.3S155 H156 S162 I163S155-L159 PolarHBondContact O-N 3.26Å; H156-L159 PolarHBondContact O-N 2.98Å; L159-S162 PolarHBondContact O-N 3.43Å; L159-S162 PolarHBondContact O-OG 3.42Å; L159-I163 HydrophobicContact CG-CD1 4.25Å; L159-I163 WeakPolarHBondContact O-CG1 3.37Å; L159-I163 PolarHBondContact O-N 2.86Å
160G52.6Low53.3Low29 Ų2995.6 Ų95.630%0.29950%0.502SS..Hα-helixtrans-61.9-40.917400000112.7H156 I163 L164H156-G160 PolarHBondContact O-N 3.41Å; G160-I163 PolarHBondContact O-N 3.43Å; G160-L164 VanDerWaalsContact O-CB 3.29Å; G160-L164 WeakPolarHBondContact O-CB 3.38Å; G160-L164 PolarHBondContact O-N 2.74Å
161Q52.8Low55.5Low109 Ų10992.6 Ų92.651%0.50948%0.484SS..Hα-helixtrans-60.6-45.9171.1-82.4170.3-18.200111.3A157 Q158 I163 L164 E165A157-Q161 VanDerWaalsContact O-CB 3.27Å; A157-Q161 WeakPolarHBondContact O-CB 3.22Å; A157-Q161 VanDerWaalsContact O-CG 3.22Å; A157-Q161 WeakPolarHBondContact O-CG 3.31Å; A157-Q161 PolarHBondContact O-N 3.36Å; Q158-Q161 PolarHBondContact O-N 3.23Å; Q161-I163 VanDerWaalsContact C-N 3.34Å; Q161-I163 PolarHBondContact O-N 3.45Å; Q161-L164 PolarHBondContact O-N 2.77Å; Q161-E165 VanDerWaalsContact O-CB 3.31Å; Q161-E165 WeakPolarHBondContact O-CB 3.31Å; Q161-E165 VanDerWaalsContact O-CG 3.22Å; Q161-E165 WeakPolarHBondContact O-CG 3.34Å; Q161-E165 PolarHBondContact O-N 3.16Å
162S57.3Low57.7Low52 Ų5294.5 Ų94.536%0.36449%0.487SS..Hα-helixtrans-64.3-36.3-179.476.90000113.2Q158 L159 R166Q158-S162 WeakPolarHBondContact O-CB 3.34Å; Q158-S162 PolarHBondContact O-N 3.39Å; L159-S162 PolarHBondContact O-N 3.43Å; L159-S162 PolarHBondContact O-OG 3.42Å; S162-R166 WeakPolarHBondContact O-CB 3.47Å; S162-R166 PolarHBondContact O-N 2.95Å; S162-R166 VanDerWaalsContact O-N 3.08Å
163I59.1Low59.6Low60 Ų6094.1 Ų94.131%0.30848%0.482SS..Hα-helixtrans-70.4-44.6175.9-66.1168000109.8L159 G160 Q161 R166 E167L159-I163 HydrophobicContact CG-CD1 4.25Å; L159-I163 WeakPolarHBondContact O-CG1 3.37Å; L159-I163 PolarHBondContact O-N 2.86Å; G160-I163 PolarHBondContact O-N 3.43Å; Q161-I163 VanDerWaalsContact C-N 3.34Å; Q161-I163 PolarHBondContact O-N 3.45Å; I163-R166 PolarHBondContact O-N 3.17Å; I163-E167 PolarHBondContact O-N 2.78Å
164L64.9Low61.4Low107 Ų10796.8 Ų96.856%0.5648%0.478SS*.Hα-helixtrans-63.8-43.4177.9-178.761.6000111.9G160 Q161 R166 E167 I168G160-L164 VanDerWaalsContact O-CB 3.29Å; G160-L164 WeakPolarHBondContact O-CB 3.38Å; G160-L164 PolarHBondContact O-N 2.74Å; Q161-L164 PolarHBondContact O-N 2.77Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 3.19Å; L164-E167 PolarHBondContact O-N 3.24Å; L164-I168 HydrophobicContact CD1-CD1 4.28Å; L164-I168 HydrophobicContact CD1-CG1 4.46Å; L164-I168 HydrophobicContact CG-CD1 3.97Å; L164-I168 WeakPolarHBondContact O-CB 3.17Å; L164-I168 VanDerWaalsContact O-CG1 3.27Å; L164-I168 WeakPolarHBondContact O-CG1 3.27Å; L164-I168 PolarHBondContact O-N 3.37Å
165E68.4Low63.7Low127 Ų12794 Ų9459%0.59347%0.467SS*.Hα-helixtrans-60.1-41.7174.8-77174.4172.600111.5Q161 I168 Q169Q161-E165 VanDerWaalsContact O-CB 3.31Å; Q161-E165 WeakPolarHBondContact O-CB 3.31Å; Q161-E165 VanDerWaalsContact O-CG 3.22Å; Q161-E165 WeakPolarHBondContact O-CG 3.34Å; Q161-E165 PolarHBondContact O-N 3.16Å; E165-I168 PolarHBondContact O-N 2.73Å; E165-Q169 WeakPolarHBondContact O-CB 3.29Å; E165-Q169 PolarHBondContact O-N 3.47Å
166R62.9Low65.7Low191 Ų19198.9 Ų98.972%0.72148%0.479SS*.Hα-helixtrans-65.1-40.8176-166.6179.6-169.5-170.53.9112.1S162 I163 L164 Q169 M170S162-R166 WeakPolarHBondContact O-CB 3.47Å; S162-R166 PolarHBondContact O-N 2.95Å; S162-R166 VanDerWaalsContact O-N 3.08Å; I163-R166 PolarHBondContact O-N 3.17Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 3.19Å; R166-Q169 PolarHBondContact O-N 3.36Å; R166-M170 PolarHBondContact O-N 3.08Å
167E68.9Low67.3Low76 Ų7698.9 Ų98.936%0.35549%0.487SS..Hα-helixtrans-65.2-45.4175.8-158.782.6-150.600110.6I163 L164 Q169 M170 Q171I163-E167 PolarHBondContact O-N 2.78Å; L164-E167 PolarHBondContact O-N 3.24Å; E167-Q169 VanDerWaalsContact C-N 3.34Å; E167-Q169 PolarHBondContact O-N 3.01Å; E167-M170 PolarHBondContact O-N 2.71Å; E167-Q171 WeakPolarHBondContact O-CG 2.97Å; E167-Q171 PolarHBondContact O-N 2.89Å
168I82.8Confident69.4Low98 Ų98100.6 Ų100.650%0.50349%0.488SS..Hα-helixtrans-59.1-45.3175.5-71.3168000110.6L164 E165 M170 Q171 K172L164-I168 HydrophobicContact CD1-CD1 4.28Å; L164-I168 HydrophobicContact CD1-CG1 4.46Å; L164-I168 HydrophobicContact CG-CD1 3.97Å; L164-I168 WeakPolarHBondContact O-CB 3.17Å; L164-I168 VanDerWaalsContact O-CG1 3.27Å; L164-I168 WeakPolarHBondContact O-CG1 3.27Å; L164-I168 PolarHBondContact O-N 3.37Å; E165-I168 PolarHBondContact O-N 2.73Å; I168-M170 VanDerWaalsContact C-N 3.35Å; I168-M170 PolarHBondContact O-N 3.22Å; I168-Q171 PolarHBondContact O-N 2.69Å; I168-K172 VanDerWaalsContact O-CB 3.29Å; I168-K172 WeakPolarHBondContact O-CB 3.28Å; I168-K172 PolarHBondContact O-N 3.41Å
169Q71.6Confident71.5Confident106 Ų10698.5 Ų98.550%0.49548%0.481SS..Hα-helixtrans-65.9-38.1-179.8-171.361.816.500111.9E165 R166 E167 T173E165-Q169 WeakPolarHBondContact O-CB 3.29Å; E165-Q169 PolarHBondContact O-N 3.47Å; R166-Q169 PolarHBondContact O-N 3.36Å; E167-Q169 VanDerWaalsContact C-N 3.34Å; E167-Q169 PolarHBondContact O-N 3.01Å; Q169-T173 WeakPolarHBondContact O-CB 3.32Å; Q169-T173 PolarHBondContact O-N 3.45Å; Q169-T173 PolarHBondContact O-OG1 3.47Å
170M71.1Confident73.5Confident107 Ų10799.2 Ų99.253%0.52749%0.485SS..Hα-helixtrans-61.6-47.6172.2-99.6-165.2-67.400111.9R166 E167 I168 T173 R174R166-M170 PolarHBondContact O-N 3.08Å; E167-M170 PolarHBondContact O-N 2.71Å; I168-M170 VanDerWaalsContact C-N 3.35Å; I168-M170 PolarHBondContact O-N 3.22Å; M170-T173 PolarHBondContact O-N 3.31Å; M170-R174 WeakPolarHBondContact O-CB 3.37Å; M170-R174 PolarHBondContact O-N 2.98Å
171Q81.4Confident74.9Confident95 Ų95103.2 Ų103.244%0.44450%0.496SS..Hα-helixtrans-64.3-42.5179.2-66.5-62.1-18.700111.6E167 I168 T173 R174 I175E167-Q171 WeakPolarHBondContact O-CG 2.97Å; E167-Q171 PolarHBondContact O-N 2.89Å; I168-Q171 PolarHBondContact O-N 2.69Å; Q171-T173 PolarHBondContact O-N 3Å; Q171-R174 WeakPolarHBondContact O-CB 3.48Å; Q171-R174 PolarHBondContact O-N 2.87Å; Q171-I175 WeakPolarHBondContact O-CG1 3.38Å; Q171-I175 PolarHBondContact O-N 3.44Å
172K82.3Confident76.4Confident102 Ų102103.7 Ų103.744%0.44350%0.499SS..Hα-helixtrans-57.5-49175-176176.2179-179.40111.3I168 R174 I175 Y176I168-K172 VanDerWaalsContact O-CB 3.29Å; I168-K172 WeakPolarHBondContact O-CB 3.28Å; I168-K172 PolarHBondContact O-N 3.41Å; K172-R174 VanDerWaalsContact C-N 3.29Å; K172-R174 PolarHBondContact O-N 2.86Å; K172-I175 PolarHBondContact O-N 3.24Å; K172-Y176 HydrophobicContact CD-CE2 4.2Å; K172-Y176 HydrophobicContact CG-CD2 3.82Å; K172-Y176 HydrophobicContact CG-CE2 3.54Å; K172-Y176 WeakPolarHBondContact O-CD2 3.42Å; K172-Y176 PolarHBondContact O-N 2.97Å
173T75.1Confident77.5Confident74 Ų74107.2 Ų107.245%0.45451%0.51SS..Hα-helixtrans-59.9-41.6177.7-540000111.3Q169 M170 Q171 Y176 C177Q169-T173 WeakPolarHBondContact O-CB 3.32Å; Q169-T173 PolarHBondContact O-N 3.45Å; Q169-T173 PolarHBondContact O-OG1 3.47Å; M170-T173 PolarHBondContact O-N 3.31Å; Q171-T173 PolarHBondContact O-N 3Å; T173-Y176 PolarHBondContact O-N 3.41Å; T173-C177 PolarHBondContact O-N 3.33Å
174R79.9Confident78.2Confident169 Ų169108.6 Ų108.664%0.63852%0.522SS*.Hα-helixtrans-64.1-42.4177.7-169.3167.9179.2163-2112.4M170 Q171 K172 C177 L178M170-R174 WeakPolarHBondContact O-CB 3.37Å; M170-R174 PolarHBondContact O-N 2.98Å; Q171-R174 WeakPolarHBondContact O-CB 3.48Å; Q171-R174 PolarHBondContact O-N 2.87Å; K172-R174 VanDerWaalsContact C-N 3.29Å; K172-R174 PolarHBondContact O-N 2.86Å; R174-C177 PolarHBondContact O-N 3.25Å; R174-L178 HydrophobicContact CG-CD1 4.37Å; R174-L178 VanDerWaalsContact O-CG 3.28Å; R174-L178 WeakPolarHBondContact O-CG 3.4Å; R174-L178 PolarHBondContact O-N 2.84Å
175I89.8Confident78.5Confident95 Ų95108.9 Ų108.949%0.48753%0.531SS..Hα-helixtrans-61.3-46.9175.1-69.2166.6000110.7Q171 K172 C177 L178 L179Q171-I175 WeakPolarHBondContact O-CG1 3.38Å; Q171-I175 PolarHBondContact O-N 3.44Å; K172-I175 PolarHBondContact O-N 3.24Å; I175-C177 PolarHBondContact O-N 3.01Å; I175-L178 PolarHBondContact O-N 2.93Å; I175-L179 HydrophobicContact CG2-CD1 3.86Å; I175-L179 HydrophobicContact CG2-CG 4.38Å; I175-L179 WeakPolarHBondContact O-CG 3.13Å; I175-L179 PolarHBondContact O-N 3.2Å
176Y82.1Confident77.9Confident143 Ų143110.2 Ų110.256%0.56154%0.539SS*.Hα-helixtrans-63.6-40.5178.8-79.4-66.2000112.8K172 T173 L178 L179 D180K172-Y176 HydrophobicContact CD-CE2 4.2Å; K172-Y176 HydrophobicContact CG-CD2 3.82Å; K172-Y176 HydrophobicContact CG-CE2 3.54Å; K172-Y176 WeakPolarHBondContact O-CD2 3.42Å; K172-Y176 PolarHBondContact O-N 2.97Å; T173-Y176 PolarHBondContact O-N 3.41Å; Y176-L178 VanDerWaalsContact C-N 3.31Å; Y176-L178 PolarHBondContact O-N 3.03Å; Y176-L179 HydrophobicContact CD1-CD1 4.48Å; Y176-L179 PolarHBondContact O-N 3.27Å; Y176-D180 WeakPolarHBondContact O-CB 3.35Å; Y176-D180 PolarHBondContact O-N 3.44Å
177C78Confident77.3Confident72 Ų72108.6 Ų108.649%0.48656%0.557SS.*Hα-helixtrans-59.3-42.4173.1-109.30000112.1T173 R174 I175 D180 Q181T173-C177 PolarHBondContact O-N 3.33Å; R174-C177 PolarHBondContact O-N 3.25Å; I175-C177 PolarHBondContact O-N 3.01Å; C177-D180 PolarHBondContact O-N 2.95Å; C177-Q181 WeakPolarHBondContact O-CB 3.22Å; C177-Q181 VanDerWaalsContact O-CG 3.26Å; C177-Q181 WeakPolarHBondContact O-CG 3.27Å; C177-Q181 PolarHBondContact O-N 3.39Å
178L88.1Confident77.8Confident90 Ų90110.3 Ų110.347%0.47157%0.567SS.*Hα-helixtrans-66.9-40.6178.8-71.3167.1000111.8R174 I175 Y176 Q181 M182R174-L178 HydrophobicContact CG-CD1 4.37Å; R174-L178 VanDerWaalsContact O-CG 3.28Å; R174-L178 WeakPolarHBondContact O-CG 3.4Å; R174-L178 PolarHBondContact O-N 2.84Å; I175-L178 PolarHBondContact O-N 2.93Å; Y176-L178 VanDerWaalsContact C-N 3.31Å; Y176-L178 PolarHBondContact O-N 3.03Å; L178-Q181 PolarHBondContact O-N 3.26Å; L178-M182 VanDerWaalsContact O-CG 3.3Å; L178-M182 WeakPolarHBondContact O-CG 3.3Å; L178-M182 PolarHBondContact O-N 3.24Å
179L88.1Confident77.5Confident86 Ų86110.9 Ų110.945%0.4557%0.571SS.*Hα-helixtrans-63.7-42.5176.5-73.3168.7000111.8I175 Y176 M182 Q183I175-L179 HydrophobicContact CG2-CD1 3.86Å; I175-L179 HydrophobicContact CG2-CG 4.38Å; I175-L179 WeakPolarHBondContact O-CG 3.13Å; I175-L179 PolarHBondContact O-N 3.2Å; Y176-L179 HydrophobicContact CD1-CD1 4.48Å; Y176-L179 PolarHBondContact O-N 3.27Å; L179-M182 PolarHBondContact O-N 2.97Å; L179-Q183 PolarHBondContact O-N 3.35Å
180D85.5Confident77.8Confident96 Ų96111.2 Ų111.251%0.51358%0.575SS.*Hα-helixtrans-62.7-44.3176.4-172.861.5000111.5Y176 C177 M182 Q183 T184Y176-D180 WeakPolarHBondContact O-CB 3.35Å; Y176-D180 PolarHBondContact O-N 3.44Å; C177-D180 PolarHBondContact O-N 2.95Å; D180-M182 VanDerWaalsContact C-N 3.32Å; D180-M182 PolarHBondContact O-N 2.86Å; D180-Q183 PolarHBondContact O-N 3.1Å; D180-T184 PolarHBondContact O-N 2.93Å; D180-T184 PolarHBondContact O-OG1 3.03Å
181Q83.1Confident78.2Confident113 Ų113111.4 Ų111.453%0.52858%0.578SS.*Hα-helixtrans-60.4-40.6174-74.3174.7-15.400112.3C177 L178 T184 C185C177-Q181 WeakPolarHBondContact O-CB 3.22Å; C177-Q181 VanDerWaalsContact O-CG 3.26Å; C177-Q181 WeakPolarHBondContact O-CG 3.27Å; C177-Q181 PolarHBondContact O-N 3.39Å; L178-Q181 PolarHBondContact O-N 3.26Å; Q181-T184 PolarHBondContact O-N 3.05Å; Q181-C185 PolarHBondContact O-N 2.9Å; Q181-C185 PolarHBondContact O-SG 2.94Å
182M84.7Confident78Confident118 Ų118112.4 Ų112.458%0.58159%0.586SS**Hα-helixtrans-66.8-40.5176.5-72176.568.600112.2L178 L179 D180 T184 C185 M186L178-M182 VanDerWaalsContact O-CG 3.3Å; L178-M182 WeakPolarHBondContact O-CG 3.3Å; L178-M182 PolarHBondContact O-N 3.24Å; L179-M182 PolarHBondContact O-N 2.97Å; D180-M182 VanDerWaalsContact C-N 3.32Å; D180-M182 PolarHBondContact O-N 2.86Å; M182-T184 VanDerWaalsContact C-N 3.32Å; M182-C185 PolarHBondContact O-N 2.85Å; M182-M186 WeakPolarHBondContact O-CG 3.48Å; M182-M186 PolarHBondContact O-N 3.12Å
183Q79.3Confident77.7Confident126 Ų126113.1 Ų113.159%0.58960%0.596SS**Hα-helixtrans-64.2-38.9175.2-79.5-179.6-48.900112L179 D180 C185 M186 S187L179-Q183 PolarHBondContact O-N 3.35Å; D180-Q183 PolarHBondContact O-N 3.1Å; Q183-C185 VanDerWaalsContact C-N 3.34Å; Q183-C185 PolarHBondContact O-N 2.87Å; Q183-M186 PolarHBondContact O-N 3.42Å; Q183-S187 PolarHBondContact O-N 2.86Å; Q183-S187 PolarHBondContact O-OG 3.17Å
184T74.9Confident77.9Confident90 Ų90115.9 Ų115.955%0.55261%0.606SS**Hα-helixtrans-68.8-32.9178.2-42.70000112.1D180 Q181 M182 M186D180-T184 PolarHBondContact O-N 2.93Å; D180-T184 PolarHBondContact O-OG1 3.03Å; Q181-T184 PolarHBondContact O-N 3.05Å; M182-T184 VanDerWaalsContact C-N 3.32Å; T184-M186 VanDerWaalsContact C-N 3.33Å
185C69.6Low77.8Confident112 Ų112111.8 Ų111.876%0.75760%0.603SS**Hα-helixtrans-77.6-13175.7-69.30000114.5Q181 M182 Q183Q181-C185 PolarHBondContact O-N 2.9Å; Q181-C185 PolarHBondContact O-SG 2.94Å; M182-C185 PolarHBondContact O-N 2.85Å; Q183-C185 VanDerWaalsContact C-N 3.34Å; Q183-C185 PolarHBondContact O-N 2.87Å
186M56.7Low76.8Confident155 Ų155113.3 Ų113.376%0.76461%0.613SS**THydrogen-bonded Turntrans-101.72.5177.1-66.7-170.4-4400113.3M182 Q183 T184M182-M186 WeakPolarHBondContact O-CG 3.48Å; M182-M186 PolarHBondContact O-N 3.12Å; Q183-M186 PolarHBondContact O-N 3.42Å; T184-M186 VanDerWaalsContact C-N 3.33Å
187S51.2Low76.3Confident158 Ų158110.5 Ų110.5100%1.10562%0.618SS**  trans-100.60175-52.50000110.2Q183Q183-S187 PolarHBondContact O-N 2.86Å; Q183-S187 PolarHBondContact O-OG 3.17Å

Retrieved 187 of 187 residues in 1353.1 ms (Link to these results)

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