A0A087XN01_POEFO Loading...

Y-box binding protein 2

AlphaFold DB , UniProt , Accession A0A087XN01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 327 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
1M56.4Low63.1Low242 Ų242132.2 Ų132.2100%1.19283%0.828SS**  0109.90-74.8167166.300105.7
2S56.6Low63.4Low120 Ų120131.8 Ų131.884%0.83983%0.828SS**  trans-85114.5-17239.60000110.2A4S2-A4 PolarHBondContact O-N 3.1Å
3D51Low63.5Low166 Ų166127.8 Ų127.889%0.88882%0.815SS**  trans-66.6117.7167.8-88.5-71.1000109.5E5D3-E5 PolarHBondContact O-N 3.06Å
4A61.2Low63.5Low96 Ų96127.7 Ų127.779%0.79382%0.816SS**  trans-84.899.6174.400000108.5S2 A6S2-A4 PolarHBondContact O-N 3.1Å; A4-A6 PolarHBondContact O-N 2.94Å; A4-A6 VanDerWaalsContact O-N 3.17Å
5E61.2Low63.5Low190 Ų190128.7 Ų128.789%0.88882%0.819SS**  trans-67.9106.1169.5-168.5152.5133.900109.1D3D3-E5 PolarHBondContact O-N 3.06Å
6A68.5Low62.9Low84 Ų84124.1 Ų124.169%0.69480%0.804SS**PPolyproline II helixtrans-67.6127.7175.100000109.6A4 S8A4-A6 PolarHBondContact O-N 2.94Å; A4-A6 VanDerWaalsContact O-N 3.17Å; A6-S8 PolarHBondContact O-N 3.15Å; A6-S8 VanDerWaalsContact O-N 3.15Å
7P62Low62.9Low127 Ų127126.6 Ų126.683%0.82581%0.809SS**PPolyproline II helixtrans-68.2118.3175.326.2-31.6000109.8A9P7-A9 PolarHBondContact O-N 3.1Å
8S63Low62.7Low118 Ų118129 Ų12983%0.82581%0.808SS**PPolyproline II helixtrans-51.6117.8170.3-171.50000110A6A6-S8 PolarHBondContact O-N 3.15Å; A6-S8 VanDerWaalsContact O-N 3.15Å
9A68.6Low62.5Low82 Ų82128.2 Ų128.268%0.67880%0.804SS**PPolyproline II helixtrans-60.5134.2173.200000109.7P7P7-A9 PolarHBondContact O-N 3.1Å
10P73.4Confident62.3Low112 Ų112129.6 Ų129.673%0.72780%0.8SS**PPolyproline II helixtrans-63.6148.6176.627.3-33.6000110.3
11P72.1Confident62.5Low117 Ų117127.7 Ų127.776%0.7679%0.79SS**PPolyproline II helixtrans-60.1145.8177.826.5-34.3000110.5A13P11-A13 PolarHBondContact O-N 3.15Å
12P67.2Low63.2Low128 Ų128125.5 Ų125.583%0.83178%0.777SS**PPolyproline II helixtrans-59.3127.1177.425.6-33.2000109.5
13A64.6Low64.4Low80 Ų80124.7 Ų124.766%0.66176%0.756SS**PPolyproline II helixtrans-51149.1175.400000111.2P11 V15P11-A13 PolarHBondContact O-N 3.15Å; A13-V15 PolarHBondContact O-N 3.1Å
14P62.9Low66.3Low126 Ų126124.1 Ų124.182%0.81875%0.745SS**PPolyproline II helixtrans-58.7118.5172.326.5-32.9000107.9G16P14-G16 PolarHBondContact O-N 3.49Å
15V64Low67.8Low142 Ų142123.3 Ų123.386%0.86173%0.73SS**  trans-53.9106.1169.7179.70000105.9A13 D17A13-V15 PolarHBondContact O-N 3.1Å; V15-D17 PolarHBondContact O-N 2.81Å
16G54.2Low69.3Low56 Ų56118.7 Ų118.758%0.57771%0.71SS**  trans-53.9133.6178.300000108.6P14 E18P14-G16 PolarHBondContact O-N 3.49Å; G16-E18 PolarHBondContact O-N 3.13Å
17D62.4Low70.4Confident166 Ų166115.7 Ų115.789%0.88869%0.686SS**  trans-57.590.8162.9-74.6-52.9000106.9V15 P19V15-D17 PolarHBondContact O-N 2.81Å; D17-P19 VanDerWaalsContact O-N 3.11Å
18E60Low71.9Confident170 Ų170114.5 Ų114.579%0.79468%0.676SS**  trans-47.2120.5166.1-80.5-86.2142.400106.3G16 Q20G16-E18 PolarHBondContact O-N 3.13Å; E18-Q20 PolarHBondContact O-N 3.33Å
19P57.3Low73.3Confident114 Ų114112.2 Ų112.274%0.7466%0.664SS**  trans-59.6110.9-178.623.5-31.4000106.9D17 P21D17-P19 VanDerWaalsContact O-N 3.11Å; P19-P21 VanDerWaalsContact O-N 3.17Å
20Q60Low74.6Confident155 Ų155108.8 Ų108.872%0.72464%0.635SS**  trans-46.9128.7167.4-72.5-89-25.300105.9E18 E22E18-Q20 PolarHBondContact O-N 3.33Å; Q20-E22 PolarHBondContact O-N 3.34Å; Q20-E22 VanDerWaalsContact O-N 3.07Å
21P65.8Low75.6Confident90 Ų90107.8 Ų107.858%0.58462%0.621SS**  trans-52.3126.3-175.222-33.2000107.6P19 R23P19-P21 VanDerWaalsContact O-N 3.17Å; P21-R23 VanDerWaalsContact C-N 3.28Å; P21-R23 WeakPolarHBondContact O-CG 3.46Å; P21-R23 PolarHBondContact O-N 3.44Å
22E70.9Confident76.8Confident196 Ų196102.2 Ų102.292%0.91658%0.584SS**  trans-61.395.5178.2-68.4-175.1175.800108Q20Q20-E22 PolarHBondContact O-N 3.34Å; Q20-E22 VanDerWaalsContact O-N 3.07Å
23R82.4Confident78.2Confident104 Ų10498.6 Ų98.639%0.39256%0.56SS.*PPolyproline II helixtrans-81.5132.6-177.5-54.4-170.9-176.8173.5-5.5108.3P21 V25 I85 E92P21-R23 VanDerWaalsContact C-N 3.28Å; P21-R23 WeakPolarHBondContact O-CG 3.46Å; P21-R23 PolarHBondContact O-N 3.44Å; R23-V25 PolarHBondContact O-N 2.98Å; R23-I85 HydrophobicContact CB-CG2 3.14Å; R23-I85 HydrophobicContact CG-CG2 4.15Å; R23-E92 IonicContact CZ-OE2 3.43Å; R23-E92 VanDerWaalsContact NH1-CD 3.28Å; R23-E92 IonicContact NH1-OE1 2.69Å; R23-E92 IonicContact NH1-OE2 3.77Å; R23-E92 PolarHBondContact NH1-OE2 3.33Å
24K90.9Very high79.7Confident153 Ų15395 Ų9567%0.66553%0.53SS*.PPolyproline II helixtrans-66124.2-177.8-64.3178-177.3176.50110.2I85 E86K24-I85 CarbonylContact O-C 3.5Å; K24-I85 WeakPolarHBondContact O-CA 3.12Å; K24-E86 HydrophobicContact CB-CB 4.39Å; K24-E86 PolarHBondContact O-N 3.09Å
25V92.4Very high81.3Confident80 Ų8094 Ų9449%0.48551%0.513SS..EExtended strand (participates in β ladder)trans-82.7118.6174.5-175.30000108.3R23 A27 T28 D83 V84 I85R23-V25 PolarHBondContact O-N 2.98Å; V25-A27 WeakPolarHBondContact CG1-O 3.41Å; V25-T28 HydrophobicContact CG1-CG2 3.74Å; V25-D83 HydrophobicContact CG1-CB 4.41Å; V25-V84 CarbonylContact C-O 3.56Å; V25-I85 HydrophobicContact CG2-CD1 4.29Å; V25-I85 HydrophobicContact CG2-CG1 4.2Å
26I92.7Very high82.9Confident92 Ų9291.9 Ų91.947%0.47249%0.489SS..EExtended strand (participates in β ladder)trans-83.1-41.1179.5-58.6162.7000110.4V84 E86I26-V84 HydrophobicContact CB-CB 4.44Å; I26-V84 HydrophobicContact CB-CG1 4.33Å; I26-V84 HydrophobicContact CD1-CG1 4.18Å; I26-V84 PolarHBondContact N-O 3.47Å; I26-E86 HydrophobicContact CD1-CB 3.77Å; I26-E86 HydrophobicContact CD1-CG 4.31Å; I26-E86 HydrophobicContact CG1-CB 4.04Å
27A91.8Very high85Confident21 Ų2189.7 Ų89.717%0.17446%0.464CS..EExtended strand (participates in β ladder)trans-149.2148.1-179.700000110.6V25 V30 D83 V84V25-A27 WeakPolarHBondContact CG1-O 3.41Å; A27-V30 HydrophobicContact CB-CG2 3.61Å; A27-D83 CarbonylContact O-C 3.6Å; A27-D83 WeakPolarHBondContact O-CA 3.47Å; A27-V84 HydrophobicContact CB-CB 4.17Å; A27-V84 HydrophobicContact CB-CG2 4.18Å; A27-V84 PolarHBondContact N-O 3.46Å; A27-V84 PolarHBondContact O-N 2.92Å
28T93.4Very high86.6Confident102 Ų10284.5 Ų84.563%0.62644%0.436SS*.EExtended strand (participates in β ladder)trans-114147.8-179.850.90000111V25 V30 D83V25-T28 HydrophobicContact CG1-CG2 3.74Å; T28-V30 VanDerWaalsContact C-N 3.26Å; T28-V30 PolarHBondContact O-N 2.93Å; T28-V30 VanDerWaalsContact O-N 3.15Å; T28-D83 WeakPolarHBondContact CA-OD1 3.46Å
29A92.4Very high88.3Confident70 Ų7077.5 Ų77.558%0.57941%0.405SS*.EExtended strand (participates in β ladder)trans5040.2173.300000115F82 D83A29-F82 PolarHBondContact N-O 3.23Å; A29-D83 PolarHBondContact N-OD1 3.34Å
30V94.9Very high90.1Very high10 Ų1083.1 Ų83.16%0.06141%0.411CS..EExtended strand (participates in β ladder)trans-78.3139.9178.8177.70000110.3A27 T28 R48 D50 E81 F82 V84A27-V30 HydrophobicContact CB-CG2 3.61Å; T28-V30 VanDerWaalsContact C-N 3.26Å; T28-V30 PolarHBondContact O-N 2.93Å; T28-V30 VanDerWaalsContact O-N 3.15Å; V30-R48 HydrophobicContact CG1-CG 4.14Å; V30-D50 WeakPolarHBondContact CG1-OD2 3.41Å; V30-E81 CarbonylContact O-C 3.6Å; V30-E81 WeakPolarHBondContact O-CA 3.32Å; V30-F82 HydrophobicContact CG1-CZ 4.43Å; V30-F82 PolarHBondContact N-O 2.8Å; V30-F82 WeakPolarHBondContact O-CD1 3.28Å; V30-F82 PolarHBondContact O-N 3.34Å; V30-V84 HydrophobicContact CB-CG2 4.5Å; V30-V84 HydrophobicContact CG2-CG2 4.24Å
31Q95.7Very high91.8Very high91 Ų9179.3 Ų79.343%0.42540%0.396SS..EExtended strand (participates in β ladder)trans-91.3139.7172.8-71.7-175.6-8.700111.9N49 V80 E81Q31-N49 PolarHBondContact O-N 2.79Å; Q31-N49 VanDerWaalsContact O-N 3.15Å; Q31-V80 WeakPolarHBondContact CA-O 3.2Å; Q31-E81 HydrophobicContact CG-CG 3.61Å; Q31-E81 PolarHBondContact NE2-OE1 3.11Å
32G96.4Very high93.3Very high0 Ų075 Ų750%037%0.368CS..EExtended strand (participates in β ladder)trans-154.8167.2175.700000113.3N47 V79 V80G32-N47 CarbonylContact C-O 3.53Å; G32-N47 WeakPolarHBondContact CA-O 3.48Å; G32-V79 CarbonylContact O-C 3.54Å; G32-V79 WeakPolarHBondContact O-CA 3.4Å; G32-V80 PolarHBondContact N-O 3.14Å; G32-V80 PolarHBondContact O-N 2.76Å
33T96.8Very high94.5Very high53 Ų5369.6 Ų69.633%0.32534%0.34SS..EExtended strand (participates in β ladder)trans-106.6129.3177.549.20000109.9K35 I46 N47 V79T33-K35 PolarHBondContact O-N 3.46Å; T33-I46 CarbonylContact O-C 3.53Å; T33-N47 PolarHBondContact N-O 2.8Å; T33-N47 PolarHBondContact O-N 2.78Å; T33-V79 HydrophobicContact CG2-CG2 4.09Å
34V97.3Very high95.2Very high3 Ų364.7 Ų64.72%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-70.1118-179.6177.40000108.8F37 I46 V74 G75 G77 E78 V80V34-F37 HydrophobicContact CG1-CB 4.42Å; V34-I46 HydrophobicContact CG2-CG1 4.03Å; V34-V74 HydrophobicContact CB-CG1 4.32Å; V34-V74 HydrophobicContact CG1-CB 4.43Å; V34-V74 HydrophobicContact CG1-CG1 4.36Å; V34-V74 HydrophobicContact CG2-CB 4.2Å; V34-V74 HydrophobicContact CG2-CG1 3.36Å; V34-G75 VanDerWaalsContact CB-O 3.29Å; V34-G75 WeakPolarHBondContact CB-O 3.46Å; V34-G75 WeakPolarHBondContact CG1-O 3.42Å; V34-G77 WeakPolarHBondContact O-CA 3.15Å; V34-G77 PolarHBondContact O-N 2.69Å; V34-E78 HydrophobicContact CG2-CB 4.4Å; V34-E78 WeakPolarHBondContact CG2-O 3.29Å; V34-E78 PolarHBondContact N-O 3.49Å; V34-V80 HydrophobicContact CG2-CG1 4.04Å; V34-V80 HydrophobicContact CG2-CG2 3.81Å
35K96.6Very high95.5Very high106 Ų10660.2 Ų60.246%0.46130%0.302SS..EExtended strand (participates in β ladder)trans-69.8-51.6179.5-163.7-173.7-167.91640110T33 F45 D54T33-K35 PolarHBondContact O-N 3.46Å; K35-F45 HydrophobicContact CB-CB 4.44Å; K35-F45 WeakPolarHBondContact CB-O 3.33Å; K35-F45 PolarHBondContact N-O 3.19Å; K35-D54 IonicContact NZ-OD1 3.53Å; K35-D54 PolarHBondContact NZ-OD1 3.49Å; K35-D54 IonicContact NZ-OD2 2.66Å; K35-D54 PolarHBondContact NZ-OD2 2.76Å
36W97.1Very high95.7Very high98 Ų9856.4 Ų56.437%0.37128%0.279SS..EExtended strand (participates in β ladder)trans-164.7153.1175.554.5-95000110.2N38 Y43 G44 F45 D76W36-N38 HydrophobicContact CZ3-CB 4.33Å; W36-Y43 AromaticContact CH2-CD2 3.9Å; W36-Y43 HydrophobicContact CH2-CD2 3.9Å; W36-Y43 AromaticContact CH2-CE2 3.67Å; W36-Y43 HydrophobicContact CH2-CE2 3.67Å; W36-Y43 AromaticContact CZ3-CD2 3.83Å; W36-Y43 HydrophobicContact CZ3-CD2 3.83Å; W36-Y43 AromaticContact CZ3-CE2 3.78Å; W36-Y43 HydrophobicContact CZ3-CE2 3.78Å; W36-G44 CarbonylContact O-C 3.51Å; W36-G44 WeakPolarHBondContact O-CA 3.23Å; W36-F45 AromaticContact CE2-CD2 3.68Å; W36-F45 AromaticContact CH2-CD2 3.54Å; W36-F45 HydrophobicContact CH2-CD2 3.54Å; W36-F45 AromaticContact CH2-CE2 3.68Å; W36-F45 HydrophobicContact CH2-CE2 3.68Å; W36-F45 AromaticContact CZ2-CD2 3.15Å; W36-F45 HydrophobicContact CZ2-CD2 3.15Å; W36-F45 AromaticContact CZ2-CE2 3.48Å; W36-F45 HydrophobicContact CZ2-CE2 3.48Å; W36-F45 VanDerWaalsContact CZ2-CE2 3.48Å; W36-F45 HydrophobicContact CZ2-CG 4.3Å; W36-F45 HydrophobicContact CZ3-CD2 4.4Å; W36-F45 PolarHBondContact N-O 2.79Å; W36-F45 PolarHBondContact O-N 3.28Å; W36-D76 WeakPolarHBondContact CA-OD1 3.27Å
37F97.5Very high95.9Very high9 Ų954 Ų544%0.03927%0.267CS..EExtended strand (participates in β ladder)trans-136.1121.3173.1-173.4-91.6000111.7V34 V39 V57 Q59 I62 S73 V74 D76V34-F37 HydrophobicContact CG1-CB 4.42Å; F37-V39 HydrophobicContact CD1-CG2 4.05Å; F37-V39 HydrophobicContact CE1-CG2 4.29Å; F37-V39 PolarHBondContact O-N 2.75Å; F37-V57 HydrophobicContact CD2-CG1 4.37Å; F37-Q59 HydrophobicContact CZ-CB 4.36Å; F37-I62 HydrophobicContact CE2-CD1 4.44Å; F37-I62 HydrophobicContact CZ-CD1 4.41Å; F37-S73 VanDerWaalsContact CE1-CA 3.49Å; F37-S73 VanDerWaalsContact CE1-CB 3.49Å; F37-V74 HydrophobicContact CD2-CG2 4.45Å; F37-D76 PolarHBondContact N-OD1 3.43Å
38N97.2Very high96.1Very high57 Ų5754.3 Ų54.331%0.30526%0.264SS..EExtended strand (participates in β ladder)trans-87.9105.8175.4-173.1-23.7000110.5W36 R40 N41 G42 Y43W36-N38 HydrophobicContact CZ3-CB 4.33Å; N38-R40 VanDerWaalsContact C-N 3.27Å; N38-R40 PolarHBondContact O-N 3.17Å; N38-R40 WeakPolarHBondContact OD1-CB 3.4Å; N38-R40 PolarHBondContact OD1-N 2.89Å; N38-N41 HydrophobicContact CB-CB 4.43Å; N38-N41 PolarHBondContact ND2-ND2 3.27Å; N38-N41 PolarHBondContact O-N 3.34Å; N38-N41 PolarHBondContact OD1-N 2.84Å; N38-G42 WeakPolarHBondContact O-CA 3.38Å; N38-G42 PolarHBondContact O-N 2.94Å; N38-Y43 PolarHBondContact N-O 3.43Å; N38-Y43 PolarHBondContact O-N 3.48Å
39V95.8Very high96Very high23 Ų2353.1 Ų53.114%0.13925%0.254CS..THydrogen-bonded Turntrans-64.2-29.8-179.7-176.70000113.3F37 L71 S107 A110F37-V39 HydrophobicContact CD1-CG2 4.05Å; F37-V39 HydrophobicContact CE1-CG2 4.29Å; F37-V39 PolarHBondContact O-N 2.75Å; V39-L71 HydrophobicContact CG1-CD1 3.68Å; V39-S107 VanDerWaalsContact CG2-OG 3.31Å; V39-S107 WeakPolarHBondContact CG2-OG 3.29Å; V39-A110 HydrophobicContact CG1-CB 4.1Å
40R94.6Very high95.8Very high233 Ų23355.1 Ų55.188%0.87926%0.255SS*.THydrogen-bonded Turntrans-72.2-43-179.1-175.8179-179.1-172.3-1110.9N38N38-R40 VanDerWaalsContact C-N 3.27Å; N38-R40 PolarHBondContact O-N 3.17Å; N38-R40 WeakPolarHBondContact OD1-CB 3.4Å; N38-R40 PolarHBondContact OD1-N 2.89Å
41N95.9Very high95.5Very high74 Ų7457.8 Ų57.840%0.39627%0.271SS..THydrogen-bonded Turntrans-89.3-17.9-178.3-57.9-3.8000112.5N38 Y43N38-N41 HydrophobicContact CB-CB 4.43Å; N38-N41 PolarHBondContact ND2-ND2 3.27Å; N38-N41 PolarHBondContact O-N 3.34Å; N38-N41 PolarHBondContact OD1-N 2.84Å; N41-Y43 HydrophobicContact CB-CD1 3.44Å; N41-Y43 VanDerWaalsContact CB-CD1 3.44Å; N41-Y43 HydrophobicContact CB-CE1 3.13Å; N41-Y43 HydrophobicContact CB-CG 4.41Å; N41-Y43 WeakPolarHBondContact ND2-CE1 3.25Å; N41-Y43 PolarHBondContact ND2-OH 2.9Å
42G95.9Very high95.3Very high1 Ų161.5 Ų61.51%0.0129%0.286CS..THydrogen-bonded Turntrans76.522.6178.400000114.2N38 H58 Q59N38-G42 WeakPolarHBondContact O-CA 3.38Å; N38-G42 PolarHBondContact O-N 2.94Å; G42-H58 CarbonylContact O-C 3.56Å; G42-H58 PolarHBondContact O-CD2 3.14Å; G42-Q59 WeakPolarHBondContact O-CB 3.04Å; G42-Q59 PolarHBondContact O-N 2.91Å
43Y96.5Very high95.1Very high82 Ų8266 Ų6632%0.32231%0.307SS..EExtended strand (participates in β ladder)trans-136.6161.7177.766.5-103.2000112.5W36 N38 N41 F56 V57W36-Y43 AromaticContact CH2-CD2 3.9Å; W36-Y43 HydrophobicContact CH2-CD2 3.9Å; W36-Y43 AromaticContact CH2-CE2 3.67Å; W36-Y43 HydrophobicContact CH2-CE2 3.67Å; W36-Y43 AromaticContact CZ3-CD2 3.83Å; W36-Y43 HydrophobicContact CZ3-CD2 3.83Å; W36-Y43 AromaticContact CZ3-CE2 3.78Å; W36-Y43 HydrophobicContact CZ3-CE2 3.78Å; N38-Y43 PolarHBondContact N-O 3.43Å; N38-Y43 PolarHBondContact O-N 3.48Å; N41-Y43 HydrophobicContact CB-CD1 3.44Å; N41-Y43 VanDerWaalsContact CB-CD1 3.44Å; N41-Y43 HydrophobicContact CB-CE1 3.13Å; N41-Y43 HydrophobicContact CB-CG 4.41Å; N41-Y43 WeakPolarHBondContact ND2-CE1 3.25Å; N41-Y43 PolarHBondContact ND2-OH 2.9Å; Y43-F56 HydrophobicContact CD2-CE2 4.24Å; Y43-F56 HydrophobicContact CG-CE2 4.18Å; Y43-V57 CarbonylContact C-O 3.52Å; Y43-V57 VanDerWaalsContact CA-O 3.24Å; Y43-V57 WeakPolarHBondContact CA-O 3.35Å
44G96.8Very high95Very high0 Ų066.8 Ų66.80%031%0.309CS..EExtended strand (participates in β ladder)trans-163-169.3179.500000112.4W36 V57W36-G44 CarbonylContact O-C 3.51Å; W36-G44 WeakPolarHBondContact O-CA 3.23Å; G44-V57 PolarHBondContact N-O 2.83Å; G44-V57 WeakPolarHBondContact O-CG1 3.33Å; G44-V57 PolarHBondContact O-N 3.24Å
45F97.1Very high95Very high60 Ų6066.6 Ų66.626%0.26331%0.308SS..EExtended strand (participates in β ladder)trans-132.7145.4173.5-73.1-97000110.9K35 W36 D54 V55 F56K35-F45 HydrophobicContact CB-CB 4.44Å; K35-F45 WeakPolarHBondContact CB-O 3.33Å; K35-F45 PolarHBondContact N-O 3.19Å; W36-F45 AromaticContact CE2-CD2 3.68Å; W36-F45 AromaticContact CH2-CD2 3.54Å; W36-F45 HydrophobicContact CH2-CD2 3.54Å; W36-F45 AromaticContact CH2-CE2 3.68Å; W36-F45 HydrophobicContact CH2-CE2 3.68Å; W36-F45 AromaticContact CZ2-CD2 3.15Å; W36-F45 HydrophobicContact CZ2-CD2 3.15Å; W36-F45 AromaticContact CZ2-CE2 3.48Å; W36-F45 HydrophobicContact CZ2-CE2 3.48Å; W36-F45 VanDerWaalsContact CZ2-CE2 3.48Å; W36-F45 HydrophobicContact CZ2-CG 4.3Å; W36-F45 HydrophobicContact CZ3-CD2 4.4Å; W36-F45 PolarHBondContact N-O 2.79Å; W36-F45 PolarHBondContact O-N 3.28Å; F45-D54 HydrophobicContact CD1-CB 4.08Å; F45-V55 CarbonylContact C-O 3.6Å; F45-V55 WeakPolarHBondContact CA-O 3.33Å; F45-F56 HydrophobicContact CE1-CB 4.14Å; F45-F56 HydrophobicContact CE1-CD2 4.25Å; F45-F56 HydrophobicContact CE2-CD2 4.26Å; F45-F56 AromaticContact CZ-CD2 3.97Å; F45-F56 HydrophobicContact CZ-CD2 3.97Å
46I97.2Very high95Very high0 Ų064.2 Ų64.20%030%0.298CS..EExtended strand (participates in β ladder)trans-118.1128.7175.9-56.3165.9000107.4T33 V34 V55 V57 V80 F82 A93 V96T33-I46 CarbonylContact O-C 3.53Å; V34-I46 HydrophobicContact CG2-CG1 4.03Å; I46-V55 PolarHBondContact N-O 3.37Å; I46-V55 PolarHBondContact O-N 2.86Å; I46-V57 HydrophobicContact CD1-CB 3.8Å; I46-V57 HydrophobicContact CD1-CG1 3.96Å; I46-V57 HydrophobicContact CD1-CG2 4.08Å; I46-V57 HydrophobicContact CG1-CB 4.16Å; I46-V57 HydrophobicContact CG1-CG1 3.8Å; I46-V80 HydrophobicContact CD1-CG2 3.86Å; I46-V80 HydrophobicContact CG1-CG2 4.32Å; I46-V80 HydrophobicContact CG2-CG2 3.94Å; I46-F82 HydrophobicContact CB-CE1 4.3Å; I46-F82 HydrophobicContact CB-CZ 4.25Å; I46-F82 HydrophobicContact CD1-CD1 4.22Å; I46-F82 HydrophobicContact CD1-CE1 4.36Å; I46-F82 HydrophobicContact CD1-CG 4.46Å; I46-F82 HydrophobicContact CG2-CD1 4.27Å; I46-F82 HydrophobicContact CG2-CE1 3.46Å; I46-F82 VanDerWaalsContact CG2-CE1 3.46Å; I46-F82 HydrophobicContact CG2-CZ 3.76Å; I46-A93 HydrophobicContact CD1-CB 4.22Å; I46-V96 HydrophobicContact CD1-CG1 4.37Å; I46-V96 HydrophobicContact CD1-CG2 4.45Å
47N96.6Very high95Very high41 Ų4159.5 Ų59.522%0.21928%0.28CS..EExtended strand (participates in β ladder)trans-80.9122.6168.5-95.7-78.5000109.3G32 T33 D54G32-N47 CarbonylContact C-O 3.53Å; G32-N47 WeakPolarHBondContact CA-O 3.48Å; T33-N47 PolarHBondContact N-O 2.8Å; T33-N47 PolarHBondContact O-N 2.78Å; N47-D54 PolarHBondContact ND2-OD1 3.01Å; N47-D54 PolarHBondContact OD1-OD1 3.5Å
48R95.6Very high95Very high27 Ų2761.7 Ų61.710%0.10229%0.29CS..EExtended strand (participates in β ladder)trans-67.1133.6168.8-73.1178.869.4179.46109.5V30 D50 T51 K52 E53 V55 F82V30-R48 HydrophobicContact CG1-CG 4.14Å; R48-D50 VanDerWaalsContact C-N 3.27Å; R48-D50 PolarHBondContact O-N 3.14Å; R48-T51 PolarHBondContact NE-OG1 2.74Å; R48-K52 WeakPolarHBondContact O-CA 3.33Å; R48-K52 PolarHBondContact O-N 2.75Å; R48-K52 VanDerWaalsContact O-N 3.1Å; R48-E53 PolarHBondContact N-O 3.17Å; R48-E53 IonicContact NH1-OE2 3.48Å; R48-E53 PolarHBondContact NH1-OE2 2.88Å; R48-V55 HydrophobicContact CG-CG2 3.65Å; R48-F82 HydrophobicContact CG-CE2 4.27Å; R48-F82 HydrophobicContact CG-CZ 3.78Å
49N91.3Very high94.9Very high78 Ų7862.5 Ų62.542%0.41729%0.292SS..THydrogen-bonded Turntrans-72.3-26.7176.1-66-19.2000111.7Q31Q31-N49 PolarHBondContact O-N 2.79Å; Q31-N49 VanDerWaalsContact O-N 3.15Å
50D88.7Confident94.9Very high111 Ų11166.2 Ų66.259%0.59432%0.315SS*.THydrogen-bonded Turntrans-76.3-62.6-177.6-50.8-32.1000112.4V30 R48V30-D50 WeakPolarHBondContact CG1-OD2 3.41Å; R48-D50 VanDerWaalsContact C-N 3.27Å; R48-D50 PolarHBondContact O-N 3.14Å
51T89.6Confident94.9Very high67 Ų6755.8 Ų55.841%0.41128%0.279SS..THydrogen-bonded Turntrans-95.1-6.8-173.854.10000113.6R48 E53R48-T51 PolarHBondContact NE-OG1 2.74Å; T51-E53 WeakPolarHBondContact CB-OE2 3.37Å; T51-E53 PolarHBondContact O-N 2.73Å; T51-E53 VanDerWaalsContact O-N 3.13Å; T51-E53 PolarHBondContact OG1-OE2 3.33Å
52K91.6Very high94.9Very high169 Ų16952.3 Ų52.374%0.73526%0.26SS*.  trans55.222.6-172.5-58.3176.2-177.1170.60113.7R48R48-K52 WeakPolarHBondContact O-CA 3.33Å; R48-K52 PolarHBondContact O-N 2.75Å; R48-K52 VanDerWaalsContact O-N 3.1Å
53E92.4Very high94.8Very high95 Ų9558.4 Ų58.444%0.44429%0.286SS..PPolyproline II helixtrans-83.6141.9175.1-67.1166.7156.100110.3R48 T51 V55R48-E53 PolarHBondContact N-O 3.17Å; R48-E53 IonicContact NH1-OE2 3.48Å; R48-E53 PolarHBondContact NH1-OE2 2.88Å; T51-E53 WeakPolarHBondContact CB-OE2 3.37Å; T51-E53 PolarHBondContact O-N 2.73Å; T51-E53 VanDerWaalsContact O-N 3.13Å; T51-E53 PolarHBondContact OG1-OE2 3.33Å; E53-V55 PolarHBondContact O-N 3.14Å
54D94.8Very high94.7Very high68 Ų6859.5 Ų59.536%0.36429%0.293SS..EExtended strand (participates in β ladder)trans-79.1117.5172.6-81.7-31.2000109.2K35 F45 N47K35-D54 IonicContact NZ-OD1 3.53Å; K35-D54 PolarHBondContact NZ-OD1 3.49Å; K35-D54 IonicContact NZ-OD2 2.66Å; K35-D54 PolarHBondContact NZ-OD2 2.76Å; F45-D54 HydrophobicContact CD1-CB 4.08Å; N47-D54 PolarHBondContact ND2-OD1 3.01Å; N47-D54 PolarHBondContact OD1-OD1 3.5Å
55V96.1Very high94.6Very high0 Ų060.9 Ų60.90%030%0.3CS..EExtended strand (participates in β ladder)trans-102.8130.6176.2-179.10000109.5F45 I46 R48 E53 F82 A93F45-V55 CarbonylContact C-O 3.6Å; F45-V55 WeakPolarHBondContact CA-O 3.33Å; I46-V55 PolarHBondContact N-O 3.37Å; I46-V55 PolarHBondContact O-N 2.86Å; R48-V55 HydrophobicContact CG-CG2 3.65Å; E53-V55 PolarHBondContact O-N 3.14Å; V55-F82 HydrophobicContact CB-CE2 4.03Å; V55-F82 HydrophobicContact CB-CZ 4.46Å; V55-F82 HydrophobicContact CG1-CE2 3.92Å; V55-F82 HydrophobicContact CG2-CE2 4.05Å; V55-F82 HydrophobicContact CG2-CZ 4.43Å; V55-A93 HydrophobicContact CG1-CB 3.74Å; V55-A93 VanDerWaalsContact CG1-N 3.31Å
56F96.9Very high94.4Very high55 Ų5559.5 Ų59.524%0.24130%0.295CS..EExtended strand (participates in β ladder)trans-70.4133.9177.8176.4-106.4000110.7Y43 F45 H58 S91 E92 A93Y43-F56 HydrophobicContact CD2-CE2 4.24Å; Y43-F56 HydrophobicContact CG-CE2 4.18Å; F45-F56 HydrophobicContact CE1-CB 4.14Å; F45-F56 HydrophobicContact CE1-CD2 4.25Å; F45-F56 HydrophobicContact CE2-CD2 4.26Å; F45-F56 AromaticContact CZ-CD2 3.97Å; F45-F56 HydrophobicContact CZ-CD2 3.97Å; F56-H58 HydrophobicContact CE1-CB 4.06Å; F56-H58 HydrophobicContact CZ-CB 4.4Å; F56-S91 PolarHBondContact N-O 3.09Å; F56-E92 HydrophobicContact CD1-CB 4.45Å; F56-E92 HydrophobicContact CD1-CG 4Å; F56-E92 CarbonylContact O-C 3.59Å; F56-E92 WeakPolarHBondContact O-CA 3.38Å; F56-A93 PolarHBondContact O-N 2.85Å
57V96.9Very high94.1Very high0 Ų064 Ų640%033%0.325CS..EExtended strand (participates in β ladder)trans-124.5131.6175.158.10000111.1F37 Y43 G44 I46 A93 V96F37-V57 HydrophobicContact CD2-CG1 4.37Å; Y43-V57 CarbonylContact C-O 3.52Å; Y43-V57 VanDerWaalsContact CA-O 3.24Å; Y43-V57 WeakPolarHBondContact CA-O 3.35Å; G44-V57 PolarHBondContact N-O 2.83Å; G44-V57 WeakPolarHBondContact O-CG1 3.33Å; G44-V57 PolarHBondContact O-N 3.24Å; I46-V57 HydrophobicContact CD1-CB 3.8Å; I46-V57 HydrophobicContact CD1-CG1 3.96Å; I46-V57 HydrophobicContact CD1-CG2 4.08Å; I46-V57 HydrophobicContact CG1-CB 4.16Å; I46-V57 HydrophobicContact CG1-CG1 3.8Å; V57-A93 HydrophobicContact CB-CB 4.21Å; V57-A93 HydrophobicContact CG2-CB 4.47Å; V57-V96 HydrophobicContact CG2-CG2 3.9Å
58H96.9Very high93.8Very high55 Ų5568.7 Ų68.726%0.25534%0.339SS..EExtended strand (participates in β ladder)trans-109.4155.8172.9-168.1-112.7000111.7G42 F56 T60 A61G42-H58 CarbonylContact O-C 3.56Å; G42-H58 PolarHBondContact O-CD2 3.14Å; F56-H58 HydrophobicContact CE1-CB 4.06Å; F56-H58 HydrophobicContact CZ-CB 4.4Å; H58-T60 PolarHBondContact ND1-N 2.88Å; H58-T60 PolarHBondContact ND1-OG1 2.78Å; H58-T60 PolarHBondContact O-N 3.12Å; H58-T60 VanDerWaalsContact O-N 3.14Å; H58-A61 VanDerWaalsContact O-CB 3.32Å; H58-A61 WeakPolarHBondContact O-CB 3.38Å; H58-A61 PolarHBondContact O-N 2.77Å
59Q96Very high93.7Very high73 Ų7368.5 Ų68.534%0.34134%0.339SS..THydrogen-bonded Turntrans-59.9-26.3-179.662.6171.81300113.6F37 G42 R72F37-Q59 HydrophobicContact CZ-CB 4.36Å; G42-Q59 WeakPolarHBondContact O-CB 3.04Å; G42-Q59 PolarHBondContact O-N 2.91Å; Q59-R72 HydrophobicContact CB-CB 4.34Å; Q59-R72 VanDerWaalsContact O-CD 3.29Å; Q59-R72 WeakPolarHBondContact O-CD 3.39Å
60T95.2Very high93.6Very high102 Ų10270.9 Ų70.963%0.62635%0.346SS*.THydrogen-bonded Turntrans-74.9-27.2177.353.90000112.1H58 I62H58-T60 PolarHBondContact ND1-N 2.88Å; H58-T60 PolarHBondContact ND1-OG1 2.78Å; H58-T60 PolarHBondContact O-N 3.12Å; H58-T60 VanDerWaalsContact O-N 3.14Å; T60-I62 PolarHBondContact O-N 3.43Å
61A95.2Very high93.8Very high14 Ų1468.5 Ų68.512%0.11633%0.333CS..THydrogen-bonded Turntrans-70.9-17.417700000113.2H58 K63 A93 N95 V96H58-A61 VanDerWaalsContact O-CB 3.32Å; H58-A61 WeakPolarHBondContact O-CB 3.38Å; H58-A61 PolarHBondContact O-N 2.77Å; A61-K63 PolarHBondContact O-N 2.75Å; A61-K63 VanDerWaalsContact O-N 3.11Å; A61-A93 WeakPolarHBondContact CB-O 3.43Å; A61-N95 PolarHBondContact O-N 2.86Å; A61-V96 HydrophobicContact CB-CG2 4.21Å; A61-V96 PolarHBondContact O-N 3.41Å
62I95.9Very high94.1Very high1 Ų170.8 Ų70.81%0.00533%0.334CS..BIsolated β-bridgetrans-74.3102179.4-55.2170000109.2F37 T60 R72 V74 V96 V104F37-I62 HydrophobicContact CE2-CD1 4.44Å; F37-I62 HydrophobicContact CZ-CD1 4.41Å; T60-I62 PolarHBondContact O-N 3.43Å; I62-R72 HydrophobicContact CB-CB 4.43Å; I62-R72 HydrophobicContact CD1-CB 4.1Å; I62-R72 PolarHBondContact O-NH1 2.71Å; I62-V74 HydrophobicContact CD1-CG2 3.59Å; I62-V74 HydrophobicContact CG1-CG2 4.03Å; I62-V96 HydrophobicContact CG1-CB 4.49Å; I62-V104 HydrophobicContact CG2-CG2 4.06Å
63K94.2Very high94.3Very high129 Ų12962.8 Ų62.856%0.56130%0.299SS*.SBendtrans-67.3-59.1177.7-97.6-175.6169.6163.30111.2A61 R72 N95 V96 T97A61-K63 PolarHBondContact O-N 2.75Å; A61-K63 VanDerWaalsContact O-N 3.11Å; K63-R72 PolarHBondContact O-NH1 2.83Å; K63-N95 HydrophobicContact CD-CB 3.76Å; K63-N95 WeakPolarHBondContact CD-OD1 3.19Å; K63-N95 VanDerWaalsContact CE-CG 3.43Å; K63-N95 WeakPolarHBondContact CE-OD1 3.43Å; K63-N95 HydrophobicContact CG-CB 4.45Å; K63-N95 PolarHBondContact NZ-ND2 3.47Å; K63-N95 VanDerWaalsContact NZ-ND2 3.14Å; K63-N95 PolarHBondContact NZ-OD1 2.91Å; K63-V96 PolarHBondContact N-O 2.89Å; K63-V96 VanDerWaalsContact N-O 3.14Å; K63-T97 HydrophobicContact CB-CG2 4.17Å
64K93.2Very high94.5Very high104 Ų10458.2 Ų58.245%0.45228%0.278SS..SBendtrans-104.292.8-174-65-177.5-175.7-179.70111.9T97 G101 P103 V104K64-T97 HydrophobicContact CB-CG2 4.08Å; K64-T97 HydrophobicContact CD-CG2 3.96Å; K64-T97 HydrophobicContact CG-CG2 3.92Å; K64-G101 WeakPolarHBondContact CD-O 3.44Å; K64-G101 WeakPolarHBondContact CE-O 3.36Å; K64-G101 PolarHBondContact NZ-O 3.48Å; K64-P103 HydrophobicContact CB-CB 4.38Å; K64-V104 PolarHBondContact O-N 2.8Å; K64-V104 VanDerWaalsContact O-N 3.14Å
65N94.6Very high94.6Very high30 Ų3055.5 Ų55.516%0.1627%0.266CS..  trans-79.3153.2176.5-177.235.3000112.9P67 L71 R72N65-P67 WeakPolarHBondContact O-CD 3.05Å; N65-L71 PolarHBondContact ND2-O 3.21Å; N65-L71 PolarHBondContact OD1-O 3.5Å; N65-R72 HydrophobicContact CB-CG 4.09Å
66N94.1Very high94.6Very high30 Ų3059.3 Ų59.316%0.1629%0.286CS..  trans-61.5122.5172.2-163.7-41.2000111.4R68 K69 V104 K105N66-R68 PolarHBondContact O-N 2.8Å; N66-R68 VanDerWaalsContact OD1-CB 3.28Å; N66-R68 WeakPolarHBondContact OD1-CB 3.35Å; N66-R68 PolarHBondContact OD1-N 2.98Å; N66-K69 HydrophobicContact CB-CB 4.12Å; N66-K69 HydrophobicContact CB-CG 3.88Å; N66-K69 PolarHBondContact O-N 3.33Å; N66-K69 VanDerWaalsContact O-N 3.09Å; N66-V104 VanDerWaalsContact CB-O 3.27Å; N66-V104 WeakPolarHBondContact CB-O 3.31Å; N66-K105 PolarHBondContact ND2-O 2.89Å
67P91.1Very high94.5Very high95 Ų9559.5 Ų59.562%0.61730%0.304SS*.THydrogen-bonded Turntrans-64.4-15.4178.226.3-35.2000113.4N65 K113N65-P67 WeakPolarHBondContact O-CD 3.05Å; P67-K113 WeakPolarHBondContact O-CD 3.43Å
68R90.4Very high94.5Very high140 Ų14060.2 Ų60.253%0.52831%0.307SS..THydrogen-bonded Turntrans-88.3-17.1178.4-56179.271.3145.9-4.5113.2N66 N112 K113N66-R68 PolarHBondContact O-N 2.8Å; N66-R68 VanDerWaalsContact OD1-CB 3.28Å; N66-R68 WeakPolarHBondContact OD1-CB 3.35Å; N66-R68 PolarHBondContact OD1-N 2.98Å; R68-N112 CarbonylContact O-C 3.55Å; R68-N112 WeakPolarHBondContact O-CA 3.29Å; R68-K113 PolarHBondContact O-N 3.15Å
69K92.5Very high94.5Very high22 Ų2260.5 Ų60.510%0.09631%0.313CS..BIsolated β-bridgetrans-99.2144.8-179.9-64.3-63.5-166.31730110.9N66 S107 A110 N112 K113N66-K69 HydrophobicContact CB-CB 4.12Å; N66-K69 HydrophobicContact CB-CG 3.88Å; N66-K69 PolarHBondContact O-N 3.33Å; N66-K69 VanDerWaalsContact O-N 3.09Å; K69-S107 VanDerWaalsContact CE-O 3.28Å; K69-S107 WeakPolarHBondContact CE-O 3.46Å; K69-S107 PolarHBondContact NZ-O 2.77Å; K69-S107 VanDerWaalsContact NZ-O 3.11Å; K69-A110 HydrophobicContact CD-CB 4.09Å; K69-A110 PolarHBondContact NZ-O 3.45Å; K69-N112 VanDerWaalsContact CD-OD1 3.29Å; K69-N112 WeakPolarHBondContact CD-OD1 3.26Å; K69-N112 WeakPolarHBondContact CE-OD1 3.35Å; K69-N112 PolarHBondContact NZ-OD1 2.83Å; K69-K113 WeakPolarHBondContact O-CD 3.4Å; K69-K113 WeakPolarHBondContact O-CE 3.45Å; K69-K113 PolarHBondContact O-NZ 3.28Å
70F89.6Confident94.5Very high129 Ų12957 Ų5757%0.56630%0.297SS*.SBendtrans-77.4-49.8178.1-172.9-98.6000111.2P111 K113F70-P111 HydrophobicContact CB-CG 4.29Å; F70-P111 PolarHBondContact N-O 2.79Å; F70-K113 HydrophobicContact CB-CG 4.14Å; F70-K113 HydrophobicContact CD2-CG 4.25Å
71L93.4Very high94.6Very high60 Ų6054 Ų5431%0.31428%0.275SS..SBendtrans-86.7150.6179.5-61.2172.6000111.4V39 N65 S73 P111V39-L71 HydrophobicContact CG1-CD1 3.68Å; N65-L71 PolarHBondContact ND2-O 3.21Å; N65-L71 PolarHBondContact OD1-O 3.5Å; L71-S73 PolarHBondContact O-N 2.85Å; L71-P111 HydrophobicContact CD1-CG 4.23Å; L71-P111 HydrophobicContact CG-CG 4.4Å
72R95.4Very high94.6Very high116 Ų11653.4 Ų53.444%0.43827%0.27SS..  trans-75.4116.4166.8-61.5-176-179.4-100.10.2107.6Q59 I62 K63 N65Q59-R72 HydrophobicContact CB-CB 4.34Å; Q59-R72 VanDerWaalsContact O-CD 3.29Å; Q59-R72 WeakPolarHBondContact O-CD 3.39Å; I62-R72 HydrophobicContact CB-CB 4.43Å; I62-R72 HydrophobicContact CD1-CB 4.1Å; I62-R72 PolarHBondContact O-NH1 2.71Å; K63-R72 PolarHBondContact O-NH1 2.83Å; N65-R72 HydrophobicContact CB-CG 4.09Å
73S95.9Very high94.6Very high0 Ų054.7 Ų54.70%028%0.277CS..  trans-152.8158.8-178.857.60000109.3F37 L71 V104 G106 S107 A110F37-S73 VanDerWaalsContact CE1-CA 3.49Å; F37-S73 VanDerWaalsContact CE1-CB 3.49Å; L71-S73 PolarHBondContact O-N 2.85Å; S73-V104 WeakPolarHBondContact O-CG2 3.37Å; S73-G106 WeakPolarHBondContact O-CA 3.46Å; S73-S107 PolarHBondContact OG-N 3.14Å; S73-S107 VanDerWaalsContact OG-N 3.09Å; S73-A110 VanDerWaalsContact OG-CB 3.26Å; S73-A110 WeakPolarHBondContact OG-CB 3.37Å
74V96.7Very high94.6Very high0 Ų048.6 Ų48.60%025%0.25CS..  trans-114.2150.6174.4-161.50000109.2V34 F37 I62 E78 V80 S107V34-V74 HydrophobicContact CB-CG1 4.32Å; V34-V74 HydrophobicContact CG1-CB 4.43Å; V34-V74 HydrophobicContact CG1-CG1 4.36Å; V34-V74 HydrophobicContact CG2-CB 4.2Å; V34-V74 HydrophobicContact CG2-CG1 3.36Å; F37-V74 HydrophobicContact CD2-CG2 4.45Å; I62-V74 HydrophobicContact CD1-CG2 3.59Å; I62-V74 HydrophobicContact CG1-CG2 4.03Å; V74-E78 HydrophobicContact CG1-CB 4.31Å; V74-V80 HydrophobicContact CG1-CG1 3.79Å; V74-S107 WeakPolarHBondContact O-CA 3.17Å; V74-S107 WeakPolarHBondContact O-CB 3.15Å; V74-S107 PolarHBondContact O-N 3.47Å
75G96.1Very high94.7Very high11 Ų1144.8 Ų44.811%0.11324%0.235CC..  trans-76.2141.217300000111.6V34 E78V34-G75 VanDerWaalsContact CB-O 3.29Å; V34-G75 WeakPolarHBondContact CB-O 3.46Å; V34-G75 WeakPolarHBondContact CG1-O 3.42Å; G75-E78 PolarHBondContact N-OE2 3.22Å; G75-E78 WeakPolarHBondContact O-CB 3.37Å; G75-E78 PolarHBondContact O-N 3.2Å
76D95.9Very high94.7Very high79 Ų7948.5 Ų48.542%0.42225%0.251SS..THydrogen-bonded Turntrans-65135.7169.8-46.1-50000109.2W36 F37 E78W36-D76 WeakPolarHBondContact CA-OD1 3.27Å; F37-D76 PolarHBondContact N-OD1 3.43Å; D76-E78 PolarHBondContact O-N 3.1Å
77G95.8Very high94.5Very high59 Ų5948.1 Ų48.161%0.60825%0.252SS*.THydrogen-bonded Turntrans69.810.5-174.400000114.8V34V34-G77 WeakPolarHBondContact O-CA 3.15Å; V34-G77 PolarHBondContact O-N 2.69Å
78E96.2Very high94.5Very high15 Ų1550.8 Ų50.87%0.0727%0.267CS..  trans-77134.8176-172.3173.9-178.300110.6V34 V74 G75 D76 V80 V104 K105 G106V34-E78 HydrophobicContact CG2-CB 4.4Å; V34-E78 WeakPolarHBondContact CG2-O 3.29Å; V34-E78 PolarHBondContact N-O 3.49Å; V74-E78 HydrophobicContact CG1-CB 4.31Å; G75-E78 PolarHBondContact N-OE2 3.22Å; G75-E78 WeakPolarHBondContact O-CB 3.37Å; G75-E78 PolarHBondContact O-N 3.2Å; D76-E78 PolarHBondContact O-N 3.1Å; E78-V80 HydrophobicContact CG-CG1 4.17Å; E78-V104 WeakPolarHBondContact OE1-CA 3.43Å; E78-K105 HydrophobicContact CG-CD 4.47Å; E78-K105 WeakPolarHBondContact OE1-CB 3.32Å; E78-K105 WeakPolarHBondContact OE1-CG 3.18Å; E78-K105 PolarHBondContact OE1-N 3.45Å; E78-G106 PolarHBondContact OE2-N 2.92Å
79V96.2Very high94.3Very high62 Ų6253.5 Ų53.538%0.37628%0.282SS..EExtended strand (participates in β ladder)trans-78.4129.3170-177.20000108.4G32 T33 P99G32-V79 CarbonylContact O-C 3.54Å; G32-V79 WeakPolarHBondContact O-CA 3.4Å; T33-V79 HydrophobicContact CG2-CG2 4.09Å; V79-P99 WeakPolarHBondContact O-CD 3.28Å
80V96.8Very high94.3Very high0 Ų054.3 Ų54.30%030%0.297CS..EExtended strand (participates in β ladder)trans-136.4153.8-177.2-67.60000111Q31 G32 V34 I46 V74 E78 F82 V96 T97 V104Q31-V80 WeakPolarHBondContact CA-O 3.2Å; G32-V80 PolarHBondContact N-O 3.14Å; G32-V80 PolarHBondContact O-N 2.76Å; V34-V80 HydrophobicContact CG2-CG1 4.04Å; V34-V80 HydrophobicContact CG2-CG2 3.81Å; I46-V80 HydrophobicContact CD1-CG2 3.86Å; I46-V80 HydrophobicContact CG1-CG2 4.32Å; I46-V80 HydrophobicContact CG2-CG2 3.94Å; V74-V80 HydrophobicContact CG1-CG1 3.79Å; E78-V80 HydrophobicContact CG-CG1 4.17Å; V80-F82 HydrophobicContact CG2-CD1 4.08Å; V80-F82 HydrophobicContact CG2-CE1 4.41Å; V80-V96 HydrophobicContact CB-CG1 4.14Å; V80-V96 HydrophobicContact CG1-CG1 4.38Å; V80-V96 HydrophobicContact CG2-CG1 4.33Å; V80-T97 CarbonylContact C-O 3.59Å; V80-T97 WeakPolarHBondContact CA-O 2.83Å; V80-T97 VanDerWaalsContact CB-O 3.27Å; V80-T97 WeakPolarHBondContact CB-O 3.4Å; V80-V104 HydrophobicContact CG1-CG1 4.28Å
81E96.5Very high94.5Very high38 Ų3850 Ų5018%0.17828%0.283CS..EExtended strand (participates in β ladder)trans-108.4131.2172.6-78.7170.1-16800109.4V30 Q31 T97 P99 G100 G101V30-E81 CarbonylContact O-C 3.6Å; V30-E81 WeakPolarHBondContact O-CA 3.32Å; Q31-E81 HydrophobicContact CG-CG 3.61Å; Q31-E81 PolarHBondContact NE2-OE1 3.11Å; E81-T97 PolarHBondContact N-O 3.4Å; E81-T97 PolarHBondContact O-N 2.97Å; E81-T97 PolarHBondContact O-OG1 3.39Å; E81-P99 WeakPolarHBondContact OE1-CA 3.49Å; E81-G100 VanDerWaalsContact CD-N 3.26Å; E81-G100 PolarHBondContact OE1-N 2.74Å; E81-G100 PolarHBondContact OE2-N 3.13Å; E81-G101 PolarHBondContact OE2-N 3.04Å
82F96.1Very high94.6Very high1 Ų148.6 Ų48.60%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-153.9161.7-175.261.6-81.3000112.4A29 V30 I46 R48 V55 V80 V84 A93 V96A29-F82 PolarHBondContact N-O 3.23Å; V30-F82 HydrophobicContact CG1-CZ 4.43Å; V30-F82 PolarHBondContact N-O 2.8Å; V30-F82 WeakPolarHBondContact O-CD1 3.28Å; V30-F82 PolarHBondContact O-N 3.34Å; I46-F82 HydrophobicContact CB-CE1 4.3Å; I46-F82 HydrophobicContact CB-CZ 4.25Å; I46-F82 HydrophobicContact CD1-CD1 4.22Å; I46-F82 HydrophobicContact CD1-CE1 4.36Å; I46-F82 HydrophobicContact CD1-CG 4.46Å; I46-F82 HydrophobicContact CG2-CD1 4.27Å; I46-F82 HydrophobicContact CG2-CE1 3.46Å; I46-F82 VanDerWaalsContact CG2-CE1 3.46Å; I46-F82 HydrophobicContact CG2-CZ 3.76Å; R48-F82 HydrophobicContact CG-CE2 4.27Å; R48-F82 HydrophobicContact CG-CZ 3.78Å; V55-F82 HydrophobicContact CB-CE2 4.03Å; V55-F82 HydrophobicContact CB-CZ 4.46Å; V55-F82 HydrophobicContact CG1-CE2 3.92Å; V55-F82 HydrophobicContact CG2-CE2 4.05Å; V55-F82 HydrophobicContact CG2-CZ 4.43Å; V80-F82 HydrophobicContact CG2-CD1 4.08Å; V80-F82 HydrophobicContact CG2-CE1 4.41Å; F82-V84 HydrophobicContact CD2-CG2 4.18Å; F82-V84 HydrophobicContact CE2-CG2 3.79Å; F82-A93 HydrophobicContact CB-CB 4.3Å; F82-A93 HydrophobicContact CD2-CB 3.61Å; F82-A93 HydrophobicContact CE2-CB 4.21Å; F82-A93 HydrophobicContact CG-CB 4.16Å; F82-V96 HydrophobicContact CB-CB 4.38Å; F82-V96 HydrophobicContact CB-CG2 3.88Å
83D95.6Very high94.6Very high29 Ų2943.1 Ų43.116%0.15526%0.255CS..EExtended strand (participates in β ladder)trans-96.4140.6171.7-57.3-31.1000108.9V25 A27 T28 A29 A93 A94 N95V25-D83 HydrophobicContact CG1-CB 4.41Å; A27-D83 CarbonylContact O-C 3.6Å; A27-D83 WeakPolarHBondContact O-CA 3.47Å; T28-D83 WeakPolarHBondContact CA-OD1 3.46Å; A29-D83 PolarHBondContact N-OD1 3.34Å; D83-A93 CarbonylContact O-C 3.59Å; D83-A93 WeakPolarHBondContact O-CA 3.27Å; D83-A94 HydrophobicContact CB-CB 4.49Å; D83-A94 PolarHBondContact N-O 3.22Å; D83-A94 PolarHBondContact O-N 2.91Å; D83-N95 WeakPolarHBondContact OD2-CB 3.37Å; D83-N95 PolarHBondContact OD2-ND2 2.85Å
84V95.4Very high94.6Very high0 Ų043.9 Ų43.90%026%0.261CS..EExtended strand (participates in β ladder)trans-96.5124.2176.3-171.70000108.4V25 I26 A27 V30 F82V25-V84 CarbonylContact C-O 3.56Å; I26-V84 HydrophobicContact CB-CB 4.44Å; I26-V84 HydrophobicContact CB-CG1 4.33Å; I26-V84 HydrophobicContact CD1-CG1 4.18Å; I26-V84 PolarHBondContact N-O 3.47Å; A27-V84 HydrophobicContact CB-CB 4.17Å; A27-V84 HydrophobicContact CB-CG2 4.18Å; A27-V84 PolarHBondContact N-O 3.46Å; A27-V84 PolarHBondContact O-N 2.92Å; V30-V84 HydrophobicContact CB-CG2 4.5Å; V30-V84 HydrophobicContact CG2-CG2 4.24Å; F82-V84 HydrophobicContact CD2-CG2 4.18Å; F82-V84 HydrophobicContact CE2-CG2 3.79Å
85I94.9Very high94.6Very high24 Ų2446.5 Ų46.512%0.12328%0.275CS..EExtended strand (participates in β ladder)trans-118.1140.8-179.4-61.8-163.1000109.3R23 K24 V25 A87 E92 A94R23-I85 HydrophobicContact CB-CG2 3.14Å; R23-I85 HydrophobicContact CG-CG2 4.15Å; K24-I85 CarbonylContact O-C 3.5Å; K24-I85 WeakPolarHBondContact O-CA 3.12Å; V25-I85 HydrophobicContact CG2-CD1 4.29Å; V25-I85 HydrophobicContact CG2-CG1 4.2Å; I85-A87 PolarHBondContact O-N 2.93Å; I85-E92 PolarHBondContact N-O 3.42Å; I85-E92 PolarHBondContact O-N 3.05Å; I85-A94 HydrophobicContact CD1-CB 3.23Å; I85-A94 HydrophobicContact CG1-CB 3.7Å
86E94.1Very high94.6Very high109 Ų10946 Ų4651%0.50927%0.269SS..EExtended strand (participates in β ladder)trans-75.2119170.8-161.9179.618000110K24 I26K24-E86 HydrophobicContact CB-CB 4.39Å; K24-E86 PolarHBondContact O-N 3.09Å; I26-E86 HydrophobicContact CD1-CB 3.77Å; I26-E86 HydrophobicContact CD1-CG 4.31Å; I26-E86 HydrophobicContact CG1-CB 4.04Å
87A90.6Very high94.6Very high21 Ų2143 Ų4317%0.17425%0.254CS..EExtended strand (participates in β ladder)trans-122.4168.517600000111.3I85 K89 G90 E92I85-A87 PolarHBondContact O-N 2.93Å; A87-K89 PolarHBondContact O-N 3.22Å; A87-K89 VanDerWaalsContact O-N 3.09Å; A87-G90 CarbonylContact C-O 3.42Å; A87-G90 WeakPolarHBondContact CA-O 3.02Å; A87-G90 WeakPolarHBondContact CB-O 3.32Å; A87-G90 PolarHBondContact N-O 3.11Å; A87-G90 PolarHBondContact O-N 3.29Å; A87-G90 VanDerWaalsContact O-O 3.13Å; A87-E92 HydrophobicContact CB-CB 3.82Å
88T89.9Confident94.6Very high151 Ų15140.3 Ų40.393%0.92623%0.226SC*.THydrogen-bonded Turntrans-59.5-23.4179.748.50000113.9
89K87.7Confident94.5Very high197 Ų19742.2 Ų42.286%0.85724%0.24SC*.THydrogen-bonded Turntrans-103.518-179.8-63.1-179.8-178.5176.10112.9A87A87-K89 PolarHBondContact O-N 3.22Å; A87-K89 VanDerWaalsContact O-N 3.09Å
90G91.4Very high94.3Very high39 Ų3942.5 Ų42.540%0.40226%0.255SS..EExtended strand (participates in β ladder)trans99.1-154.6-174.300000112.4A87 E92A87-G90 CarbonylContact C-O 3.42Å; A87-G90 WeakPolarHBondContact CA-O 3.02Å; A87-G90 WeakPolarHBondContact CB-O 3.32Å; A87-G90 PolarHBondContact N-O 3.11Å; A87-G90 PolarHBondContact O-N 3.29Å; A87-G90 VanDerWaalsContact O-O 3.13Å; G90-E92 PolarHBondContact O-N 3.34Å
91S94.3Very high94.1Very high40 Ų4043.2 Ų43.228%0.2826%0.263SS..EExtended strand (participates in β ladder)trans-71.8122.2-176.9-56.10000111.9F56F56-S91 PolarHBondContact N-O 3.09Å
92E95.6Very high94Very high30 Ų3046.4 Ų46.414%0.1428%0.28CS..EExtended strand (participates in β ladder)trans-112.9137.7175.9-179.7169.6-178.800110.5R23 F56 I85 A87 G90R23-E92 IonicContact CZ-OE2 3.43Å; R23-E92 VanDerWaalsContact NH1-CD 3.28Å; R23-E92 IonicContact NH1-OE1 2.69Å; R23-E92 IonicContact NH1-OE2 3.77Å; R23-E92 PolarHBondContact NH1-OE2 3.33Å; F56-E92 HydrophobicContact CD1-CB 4.45Å; F56-E92 HydrophobicContact CD1-CG 4Å; F56-E92 CarbonylContact O-C 3.59Å; F56-E92 WeakPolarHBondContact O-CA 3.38Å; I85-E92 PolarHBondContact N-O 3.42Å; I85-E92 PolarHBondContact O-N 3.05Å; A87-E92 HydrophobicContact CB-CB 3.82Å; G90-E92 PolarHBondContact O-N 3.34Å
93A96Very high94Very high1 Ų149.3 Ų49.31%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-79.6135.1174.200000109.6I46 V55 F56 V57 A61 F82 D83 V96I46-A93 HydrophobicContact CD1-CB 4.22Å; V55-A93 HydrophobicContact CG1-CB 3.74Å; V55-A93 VanDerWaalsContact CG1-N 3.31Å; F56-A93 PolarHBondContact O-N 2.85Å; V57-A93 HydrophobicContact CB-CB 4.21Å; V57-A93 HydrophobicContact CG2-CB 4.47Å; A61-A93 WeakPolarHBondContact CB-O 3.43Å; F82-A93 HydrophobicContact CB-CB 4.3Å; F82-A93 HydrophobicContact CD2-CB 3.61Å; F82-A93 HydrophobicContact CE2-CB 4.21Å; F82-A93 HydrophobicContact CG-CB 4.16Å; D83-A93 CarbonylContact O-C 3.59Å; D83-A93 WeakPolarHBondContact O-CA 3.27Å; A93-V96 HydrophobicContact CB-CG2 3.88Å
94A95.4Very high94Very high16 Ų1647.9 Ų47.913%0.13229%0.291CS..EExtended strand (participates in β ladder)trans-120.5163.8167.700000110.4D83 I85 V96D83-A94 HydrophobicContact CB-CB 4.49Å; D83-A94 PolarHBondContact N-O 3.22Å; D83-A94 PolarHBondContact O-N 2.91Å; I85-A94 HydrophobicContact CD1-CB 3.23Å; I85-A94 HydrophobicContact CG1-CB 3.7Å; A94-V96 PolarHBondContact O-N 3.03Å; A94-V96 VanDerWaalsContact O-N 3.12Å
95N95.3Very high93.9Very high54 Ų5455.2 Ų55.229%0.28932%0.323SS..EExtended strand (participates in β ladder)trans56.434.5171.8-59.8-22.7000114.5A61 K63 D83 T97A61-N95 PolarHBondContact O-N 2.86Å; K63-N95 HydrophobicContact CD-CB 3.76Å; K63-N95 WeakPolarHBondContact CD-OD1 3.19Å; K63-N95 VanDerWaalsContact CE-CG 3.43Å; K63-N95 WeakPolarHBondContact CE-OD1 3.43Å; K63-N95 HydrophobicContact CG-CB 4.45Å; K63-N95 PolarHBondContact NZ-ND2 3.47Å; K63-N95 VanDerWaalsContact NZ-ND2 3.14Å; K63-N95 PolarHBondContact NZ-OD1 2.91Å; D83-N95 WeakPolarHBondContact OD2-CB 3.37Å; D83-N95 PolarHBondContact OD2-ND2 2.85Å; N95-T97 PolarHBondContact O-N 2.84Å
96V96.4Very high93.9Very high0 Ų054.5 Ų54.50%032%0.322CS..EExtended strand (participates in β ladder)trans-65.2124.2-174.1-173.80000110.3I46 V57 A61 I62 K63 V80 F82 A93 A94I46-V96 HydrophobicContact CD1-CG1 4.37Å; I46-V96 HydrophobicContact CD1-CG2 4.45Å; V57-V96 HydrophobicContact CG2-CG2 3.9Å; A61-V96 HydrophobicContact CB-CG2 4.21Å; A61-V96 PolarHBondContact O-N 3.41Å; I62-V96 HydrophobicContact CG1-CB 4.49Å; K63-V96 PolarHBondContact N-O 2.89Å; K63-V96 VanDerWaalsContact N-O 3.14Å; V80-V96 HydrophobicContact CB-CG1 4.14Å; V80-V96 HydrophobicContact CG1-CG1 4.38Å; V80-V96 HydrophobicContact CG2-CG1 4.33Å; F82-V96 HydrophobicContact CB-CB 4.38Å; F82-V96 HydrophobicContact CB-CG2 3.88Å; A93-V96 HydrophobicContact CB-CG2 3.88Å; A94-V96 PolarHBondContact O-N 3.03Å; A94-V96 VanDerWaalsContact O-N 3.12Å
97T96.8Very high93.9Very high18 Ų1849.3 Ų49.311%0.1130%0.298CS..EExtended strand (participates in β ladder)trans-136.4165.8177.157.80000110.3K63 K64 V80 E81 N95K63-T97 HydrophobicContact CB-CG2 4.17Å; K64-T97 HydrophobicContact CB-CG2 4.08Å; K64-T97 HydrophobicContact CD-CG2 3.96Å; K64-T97 HydrophobicContact CG-CG2 3.92Å; V80-T97 CarbonylContact C-O 3.59Å; V80-T97 WeakPolarHBondContact CA-O 2.83Å; V80-T97 VanDerWaalsContact CB-O 3.27Å; V80-T97 WeakPolarHBondContact CB-O 3.4Å; E81-T97 PolarHBondContact N-O 3.4Å; E81-T97 PolarHBondContact O-N 2.97Å; E81-T97 PolarHBondContact O-OG1 3.39Å; N95-T97 PolarHBondContact O-N 2.84Å
98G95.8Very high94Very high1 Ų159.4 Ų59.41%0.0133%0.331CS..  trans-73171.9167.200000111.1G100 G101 I102G98-G100 PolarHBondContact O-N 3.07Å; G98-G101 WeakPolarHBondContact O-CA 3.34Å; G98-G101 PolarHBondContact O-N 3.22Å; G98-I102 VanDerWaalsContact CA-O 3.23Å; G98-I102 WeakPolarHBondContact CA-O 3.37Å; G98-I102 PolarHBondContact N-O 2.66Å; G98-I102 PolarHBondContact O-N 3.01Å
99P94.4Very high94.1Very high55 Ų5560.9 Ų60.936%0.35732%0.321SS..G310 helixtrans-56.7137.6-179.425.4-35.4000111.2V79 E81 G101 I102V79-P99 WeakPolarHBondContact O-CD 3.28Å; E81-P99 WeakPolarHBondContact OE1-CA 3.49Å; P99-G101 PolarHBondContact O-N 3.09Å; P99-I102 WeakPolarHBondContact O-CD1 3.24Å; P99-I102 VanDerWaalsContact O-CG1 3.25Å; P99-I102 WeakPolarHBondContact O-CG1 3.14Å; P99-I102 PolarHBondContact O-N 2.81Å
100G92Very high94.4Very high68 Ų6851.6 Ų51.670%0.70128%0.281SS*.G310 helixtrans6424-174.900000113.6E81 G98 I102E81-G100 VanDerWaalsContact CD-N 3.26Å; E81-G100 PolarHBondContact OE1-N 2.74Å; E81-G100 PolarHBondContact OE2-N 3.13Å; G98-G100 PolarHBondContact O-N 3.07Å; G100-I102 VanDerWaalsContact C-N 3.27Å; G100-I102 PolarHBondContact O-N 2.86Å
101G91.6Very high94.4Very high16 Ų1651.9 Ų51.917%0.16528%0.276CS..G310 helixtrans68.319.8-177.600000114.8K64 E81 G98 P99K64-G101 WeakPolarHBondContact CD-O 3.44Å; K64-G101 WeakPolarHBondContact CE-O 3.36Å; K64-G101 PolarHBondContact NZ-O 3.48Å; E81-G101 PolarHBondContact OE2-N 3.04Å; G98-G101 WeakPolarHBondContact O-CA 3.34Å; G98-G101 PolarHBondContact O-N 3.22Å; P99-G101 PolarHBondContact O-N 3.09Å
102I94.6Very high94.2Very high104 Ų10453.1 Ų53.153%0.53328%0.279SS..PPolyproline II helixtrans-67149.1173.7-62.7170.4000109.2G98 P99 G100 V104G98-I102 VanDerWaalsContact CA-O 3.23Å; G98-I102 WeakPolarHBondContact CA-O 3.37Å; G98-I102 PolarHBondContact N-O 2.66Å; G98-I102 PolarHBondContact O-N 3.01Å; P99-I102 WeakPolarHBondContact O-CD1 3.24Å; P99-I102 VanDerWaalsContact O-CG1 3.25Å; P99-I102 WeakPolarHBondContact O-CG1 3.14Å; P99-I102 PolarHBondContact O-N 2.81Å; G100-I102 VanDerWaalsContact C-N 3.27Å; G100-I102 PolarHBondContact O-N 2.86Å; I102-V104 PolarHBondContact O-N 3.37Å
103P95.4Very high93.7Very high62 Ų6255.7 Ų55.740%0.40329%0.29SS..PPolyproline II helixtrans-59.7139171.9-22.933.7000111.9K64K64-P103 HydrophobicContact CB-CB 4.38Å
104V96Very high92.6Very high0 Ų062.4 Ų62.40%032%0.315CS..PPolyproline II helixtrans-59.4147.4178.5-60.30000111.1I62 K64 N66 S73 E78 V80 I102 G106I62-V104 HydrophobicContact CG2-CG2 4.06Å; K64-V104 PolarHBondContact O-N 2.8Å; K64-V104 VanDerWaalsContact O-N 3.14Å; N66-V104 VanDerWaalsContact CB-O 3.27Å; N66-V104 WeakPolarHBondContact CB-O 3.31Å; S73-V104 WeakPolarHBondContact O-CG2 3.37Å; E78-V104 WeakPolarHBondContact OE1-CA 3.43Å; V80-V104 HydrophobicContact CG1-CG1 4.28Å; I102-V104 PolarHBondContact O-N 3.37Å; V104-G106 VanDerWaalsContact C-N 3.29Å
105K93.6Very high90.9Very high154 Ų15470.2 Ų70.267%0.6734%0.341SS*.  trans-63.8-40.8174.3-65.4172-177.7169.90110N66 E78N66-K105 PolarHBondContact ND2-O 2.89Å; E78-K105 HydrophobicContact CG-CD 4.47Å; E78-K105 WeakPolarHBondContact OE1-CB 3.32Å; E78-K105 WeakPolarHBondContact OE1-CG 3.18Å; E78-K105 PolarHBondContact OE1-N 3.45Å
106G94.6Very high89.1Confident9 Ų974.7 Ų74.79%0.09336%0.358CS..  trans77.9164.1178.900000114.1S73 E78 V104S73-G106 WeakPolarHBondContact O-CA 3.46Å; E78-G106 PolarHBondContact OE2-N 2.92Å; V104-G106 VanDerWaalsContact C-N 3.29Å
107S95.1Very high87.3Confident0 Ų085.4 Ų85.40%040%0.399CS..  trans-64.5144.9-169-177.20000112.8V39 K69 S73 V74 Y109 A110V39-S107 VanDerWaalsContact CG2-OG 3.31Å; V39-S107 WeakPolarHBondContact CG2-OG 3.29Å; K69-S107 VanDerWaalsContact CE-O 3.28Å; K69-S107 WeakPolarHBondContact CE-O 3.46Å; K69-S107 PolarHBondContact NZ-O 2.77Å; K69-S107 VanDerWaalsContact NZ-O 3.11Å; S73-S107 PolarHBondContact OG-N 3.14Å; S73-S107 VanDerWaalsContact OG-N 3.09Å; V74-S107 WeakPolarHBondContact O-CA 3.17Å; V74-S107 WeakPolarHBondContact O-CB 3.15Å; V74-S107 PolarHBondContact O-N 3.47Å; S107-Y109 PolarHBondContact O-N 3.37Å; S107-Y109 WeakPolarHBondContact OG-CD2 3.35Å; S107-Y109 PolarHBondContact OG-N 2.85Å; S107-A110 PolarHBondContact O-N 2.88Å
108R92.6Very high85.5Confident232 Ų23294 Ų9488%0.87543%0.429SS*.THydrogen-bonded Turntrans-59.7-30.9170.7-67.4179.164140.6-1.7111.7
109Y92.7Very high83.8Confident182 Ų182103.9 Ų103.971%0.71447%0.466SS*.THydrogen-bonded Turntrans-80.9-17.8-178.5-54.4-70.6000113.2S107S107-Y109 PolarHBondContact O-N 3.37Å; S107-Y109 WeakPolarHBondContact OG-CD2 3.35Å; S107-Y109 PolarHBondContact OG-N 2.85Å
110A92.8Very high81.8Confident2 Ų2110.6 Ų110.62%0.01749%0.49CS..SBendtrans-70.7135.7179.200000112.2V39 K69 S73 S107V39-A110 HydrophobicContact CG1-CB 4.1Å; K69-A110 HydrophobicContact CD-CB 4.09Å; K69-A110 PolarHBondContact NZ-O 3.45Å; S73-A110 VanDerWaalsContact OG-CB 3.26Å; S73-A110 WeakPolarHBondContact OG-CB 3.37Å; S107-A110 PolarHBondContact O-N 2.88Å
111P91.3Very high80.5Confident45 Ų45113.9 Ų113.929%0.29249%0.49SS..PPolyproline II helixtrans-67.9139.9-178.524.7-30.4000112.3F70 L71F70-P111 HydrophobicContact CB-CG 4.29Å; F70-P111 PolarHBondContact N-O 2.79Å; L71-P111 HydrophobicContact CD1-CG 4.23Å; L71-P111 HydrophobicContact CG-CG 4.4Å
112N91Very high78.7Confident66 Ų66117.9 Ų117.935%0.35351%0.513SS..BIsolated β-bridgetrans-82.8133178.7-64.8-21.1000111.5R68 K69 R114 R115R68-N112 CarbonylContact O-C 3.55Å; R68-N112 WeakPolarHBondContact O-CA 3.29Å; K69-N112 VanDerWaalsContact CD-OD1 3.29Å; K69-N112 WeakPolarHBondContact CD-OD1 3.26Å; K69-N112 WeakPolarHBondContact CE-OD1 3.35Å; K69-N112 PolarHBondContact NZ-OD1 2.83Å; N112-R114 VanDerWaalsContact C-N 3.29Å; N112-R114 PolarHBondContact O-N 2.93Å; N112-R115 PolarHBondContact O-N 3.32Å
113K84.3Confident77Confident84 Ų84123.7 Ų123.737%0.36553%0.528SS..THydrogen-bonded Turntrans-57.9-34.3176.2-81.3167.1170.1165.80113.6P67 R68 K69 F70 R115 F116P67-K113 WeakPolarHBondContact O-CD 3.43Å; R68-K113 PolarHBondContact O-N 3.15Å; K69-K113 WeakPolarHBondContact O-CD 3.4Å; K69-K113 WeakPolarHBondContact O-CE 3.45Å; K69-K113 PolarHBondContact O-NZ 3.28Å; F70-K113 HydrophobicContact CB-CG 4.14Å; F70-K113 HydrophobicContact CD2-CG 4.25Å; K113-R115 VanDerWaalsContact C-N 3.27Å; K113-R115 PolarHBondContact O-N 3.38Å; K113-F116 PolarHBondContact O-N 3.32Å
114R73Confident75.1Confident142 Ų142127.4 Ų127.454%0.53655%0.545SS..Hα-helixtrans-67.6-18.7-177.1-72.2-175-179.4-172-1.1114.7N112 F116 R117N112-R114 VanDerWaalsContact C-N 3.29Å; N112-R114 PolarHBondContact O-N 2.93Å; R114-F116 PolarHBondContact O-N 2.97Å; R114-R117 PolarHBondContact O-N 2.85Å
115R60Low73.3Confident180 Ų180133.2 Ų133.268%0.67958%0.582SS**Hα-helixtrans-63.7-30.4174.1-102.5-167.4-76.3-120.14.8111.8N112 K113N112-R115 PolarHBondContact O-N 3.32Å; K113-R115 VanDerWaalsContact C-N 3.27Å; K113-R115 PolarHBondContact O-N 3.38Å
116F56.6Low71.6Confident148 Ų148136.9 Ų136.965%0.64959%0.592SS**Hα-helixtrans-82.3-25.9-177.1-63.4-77.9000113.5K113 R114K113-F116 PolarHBondContact O-N 3.32Å; R114-F116 PolarHBondContact O-N 2.97Å
117R60.3Low69.6Low226 Ų226142.4 Ų142.485%0.85363%0.626SS**Hα-helixtrans-82.9-17.1178-64.3-161.8-162.1-174.84.5115.1R114R114-R117 PolarHBondContact O-N 2.85Å
118R59.1Low67.8Low199 Ų199146.6 Ų146.675%0.75166%0.661SS**THydrogen-bonded Turntrans-93.80.6-177-71.8-164.9-172.9-159.91.9114.9
119R59.1Low65.7Low208 Ų208142.6 Ų142.679%0.78566%0.657SS**SBendtrans-93-4178.5-159.689.1-78.8-122.94.5113.2
120F53.3Low63.8Low195 Ų195143.1 Ų143.186%0.85567%0.666SS**  trans-117.150.8-179.8-121.5-90.4000111.3
121I62.9Low61.6Low138 Ų138147.1 Ų147.171%0.70869%0.694SS**  trans-95.4108.4152.4-58.8175.8000103.7R123I121-R123 PolarHBondContact O-N 3.23Å
122P53.8Low59.5Low99 Ų99151.6 Ų151.664%0.64372%0.721SS**  trans-56.9120.1171.924.1-30.3000106.6N124P122-N124 PolarHBondContact O-N 3.01Å; P122-N124 VanDerWaalsContact O-N 3.08Å
123R58.9Low57.2Low226 Ų226154.5 Ų154.585%0.85374%0.743SS**  trans-62.8113.6164.1-77.1178.8176.3166-2.8104.4I121 P125I121-R123 PolarHBondContact O-N 3.23Å; R123-P125 VanDerWaalsContact O-N 3.15Å
124N55.9Low55.3Low140 Ų140155.2 Ų155.275%0.74977%0.765SS**PPolyproline II helixtrans-46.5126.9168.2-8322.8000107.7P122 R126P122-N124 PolarHBondContact O-N 3.01Å; P122-N124 VanDerWaalsContact O-N 3.08Å; N124-R126 PolarHBondContact O-N 3.14Å
125P57.9Low53.8Low122 Ų122156.4 Ų156.479%0.79278%0.782SS**PPolyproline II helixtrans-51.5131.8170.5-2231.6000108R123R123-P125 VanDerWaalsContact O-N 3.15Å
126R57.6Low53.1Low231 Ų231151.1 Ų151.187%0.87278%0.783SS**PPolyproline II helixtrans-61.1133.4171.4-74.5177.9175.6172.1-4107N124 A128N124-R126 PolarHBondContact O-N 3.14Å; R126-A128 PolarHBondContact O-N 3.22Å
127P53.9Low52.1Low125 Ų125153.1 Ų153.181%0.81279%0.794SS**PPolyproline II helixtrans-58.4131.317224.8-30.7000108
128A56.7Low51Low89 Ų89146.4 Ų146.474%0.73679%0.787SS**PPolyproline II helixtrans-60.2135.5176.300000109.3R126 Q130R126-A128 PolarHBondContact O-N 3.22Å; A128-Q130 PolarHBondContact O-N 2.85Å; A128-Q130 VanDerWaalsContact O-N 3.16Å
129D49.1Very low50.4Low148 Ų148143 Ų14379%0.79179%0.791SS**  trans-69.5102.9173.5-155.2-2000107.6S131D129-S131 PolarHBondContact O-N 2.75Å
130Q51.8Low49.6Very low192 Ų192137.3 Ų137.390%0.89779%0.789SS**  trans-87.688.5171.1-72.9-174.215.800107.8A128A128-Q130 PolarHBondContact O-N 2.85Å; A128-Q130 VanDerWaalsContact O-N 3.16Å
131S46.4Very low49.2Very low86 Ų86134.1 Ų134.160%0.60179%0.788SS**  trans-136.781.2166.967.70000110.1D129D129-S131 PolarHBondContact O-N 2.75Å
132T47.5Very low48Very low140 Ų140137 Ų13786%0.85980%0.798SS**  trans-147113.315010.40000108.2
133P44.1Very low47.2Very low127 Ų127135.7 Ų135.783%0.82580%0.802SS**  trans-79.1126.5166.931.7-26.8000107.8
134A42.5Very low46.3Very low98 Ų98134.3 Ų134.381%0.8181%0.806SS**  trans-111.2121164.300000106.9
135D42Very low45.6Very low168 Ų168136.8 Ų136.890%0.89881%0.813SS**  trans-53147-179.8-65.7-63.4000113.4
136G46Very low44.9Very low68 Ų68139.8 Ų139.870%0.70182%0.818SS**  trans117.6109.614400000117.4
137Q35.9Very low44.4Very low190 Ų190138.4 Ų138.489%0.88882%0.822SS**  trans84.7102151-121.366.533.100119.5
138A37.3Very low43.9Very low86 Ų86140.9 Ų140.971%0.71182%0.822SS**  trans-73.1157.1149.900000109.8
139P45.3Very low43.2Very low126 Ų126145.4 Ų145.482%0.81883%0.83SS**  -138.3157.781.533.2-16.7000115
140A42.4Very low43.3Very low90 Ų90149.6 Ų149.674%0.74484%0.835SS**  trans-57.8161.2173.100000112.8
141P46.2Very low43.1Very low128 Ų128145.7 Ų145.783%0.83183%0.826SS**  -136.1159.3107.936.6-25.7000115.1
142E37.8Very low43.3Very low198 Ų198147 Ų14793%0.92583%0.833SS**  trans-55.9145.1-179.6-58.2167161.100113.1
143G36.9Very low43.7Very low71 Ų71146.1 Ų146.173%0.73283%0.829SS**  trans163.587.6172.800000115
144E38Very low44.2Very low198 Ų198151.8 Ų151.893%0.92583%0.834SS**  trans68.9135.3140.4-56.3-172.9167.300121.8
145Q43.1Very low44.7Very low192 Ų192158.7 Ų158.790%0.89784%0.839SS**  trans-83121.9-170.9-58.6160.322.800109.6
146M42.6Very low45.3Very low184 Ų184162.1 Ų162.191%0.90684%0.84SS**  trans-135.297.3156-78.6-173.2177.500108.8E148M146-E148 PolarHBondContact O-N 3.09Å
147E45.9Very low45.3Very low202 Ų202170.2 Ų170.294%0.94485%0.849SS**  trans-73.876.5172-159.5176.6-159.200108.6M149E147-M149 PolarHBondContact O-N 3.5Å
148E43.7Very low45.9Very low178 Ų178167 Ų16783%0.83285%0.845SS**  trans-85.7112.3177.4-163.3167.7-175.400110.8M146 R150M146-E148 PolarHBondContact O-N 3.09Å; E148-R150 PolarHBondContact O-N 3.38Å; E148-R150 VanDerWaalsContact O-N 3.15Å
149M43.2Very low46.4Very low183 Ų183174.5 Ų174.590%0.90186%0.855SS**  trans-38.8107.6178.9-71.8171.9162.600114.3E147E147-M149 PolarHBondContact O-N 3.5Å
150R50.1Low46.5Very low237 Ų237179.8 Ų179.889%0.89486%0.859SS**PPolyproline II helixtrans-75.3125.3164.1-143.6176.3-169.7-1795.4108.8E148E148-R150 PolarHBondContact O-N 3.38Å; E148-R150 VanDerWaalsContact O-N 3.15Å
151P47.8Very low46.5Very low109 Ų109181.1 Ų181.171%0.70886%0.859SS**PPolyproline II helixtrans-66.8142.4179.127.4-32.6000109.8
152P51.7Low46.1Very low114 Ų114186.6 Ų186.674%0.7486%0.864SS**PPolyproline II helixtrans-65.3145.5-174.525.9-33.5000110.9R154P152-R154 PolarHBondContact O-N 3.2Å
153P54.9Low46Very low121 Ų121184.9 Ų184.979%0.78686%0.86SS**PPolyproline II helixtrans-62.7124.1175.725.2-31.9000109.3R155P153-R155 PolarHBondContact O-N 3.25Å
154R55.5Low46Very low246 Ų246186.6 Ų186.693%0.92886%0.86SS**  trans-50.4110.5174.4-76-178.7166.5123.5-2.6109.4P152 R156P152-R154 PolarHBondContact O-N 3.2Å; R154-R156 PolarHBondContact O-N 3.32Å; R154-R156 VanDerWaalsContact O-N 3.09Å
155R52.3Low46.3Very low243 Ų243183.6 Ų183.692%0.91786%0.856SS**PPolyproline II helixtrans-47.6117.5173.4-76.3-179.7170.2-176.9-3.1108.8P153 R157P153-R155 PolarHBondContact O-N 3.25Å; R155-R157 PolarHBondContact O-N 3.27Å; R155-R157 VanDerWaalsContact O-N 3.13Å
156R53.7Low46.2Very low241 Ų241182.6 Ų182.691%0.90985%0.851SS**PPolyproline II helixtrans-58.7119.2169.6-74.3-173.7171.5-172.20.2107R154R154-R156 PolarHBondContact O-N 3.32Å; R154-R156 VanDerWaalsContact O-N 3.09Å
157R47.3Very low46.1Very low237 Ų237181.1 Ų181.189%0.89485%0.847SS**PPolyproline II helixtrans-49126.9174.9-70.3-175.1174.6-166.5-2.4108.7R155 R159R155-R157 PolarHBondContact O-N 3.27Å; R155-R157 VanDerWaalsContact O-N 3.13Å; R157-R159 PolarHBondContact O-N 2.79Å
158P47.3Very low46.2Very low123 Ų123175.4 Ų175.480%0.79984%0.842SS**PPolyproline II helixtrans-60137.4177.323.8-30.9000108.7R160P158-R160 PolarHBondContact O-N 3.14Å; P158-R160 VanDerWaalsContact O-N 3.14Å
159R48.8Very low45.7Very low243 Ų243175.6 Ų175.692%0.91784%0.843SS**PPolyproline II helixtrans-60.7119.9171.8-78.2-178174.2147.1-1.5107.2R157R157-R159 PolarHBondContact O-N 2.79Å
160R46.2Very low45.8Very low238 Ų238173.5 Ų173.590%0.89884%0.84SS**PPolyproline II helixtrans-48124.4171-148.7179.2-167.2-156.23108.4P158 R162P158-R160 PolarHBondContact O-N 3.14Å; P158-R160 VanDerWaalsContact O-N 3.14Å; R160-R162 PolarHBondContact O-N 3.09Å
161P42.4Very low45.2Very low117 Ų117168.1 Ų168.176%0.7683%0.833SS**PPolyproline II helixtrans-61.3136.6174.423-28.3000108.4L163P161-L163 PolarHBondContact O-N 3.03Å
162R39.6Very low45.1Very low244 Ų244171.4 Ų171.492%0.92184%0.839SS**  trans-72.7113.4174-76.4-177.2169165.7-5.1107R160 S164R160-R162 PolarHBondContact O-N 3.09Å; R162-S164 PolarHBondContact O-N 3.07Å
163L34.6Very low44.4Very low162 Ų162175.4 Ų175.485%0.84885%0.848SS**  trans-60.5114.8163.4-127.775.9000107.1P161 T165P161-L163 PolarHBondContact O-N 3.03Å; L163-T165 PolarHBondContact O-N 3.34Å
164S38Very low43.6Very low106 Ų106178.1 Ų178.174%0.74185%0.847SS**  trans-76.6101.8164.847.80000107.4R162 Q166R162-S164 PolarHBondContact O-N 3.07Å; S164-Q166 VanDerWaalsContact C-N 3.31Å; S164-Q166 PolarHBondContact O-N 2.94Å; S164-Q166 VanDerWaalsContact O-N 3.1Å
165T43Very low42.8Very low135 Ų135173.2 Ų173.283%0.82884%0.84SS**  trans-71.994.6158.512.90000107.2L163L163-T165 PolarHBondContact O-N 3.34Å
166Q41.9Very low41.8Very low172 Ų172165.6 Ų165.680%0.80484%0.836SS**  trans-82.9127.7146.6-83.3179.3-11.800106.1S164S164-Q166 VanDerWaalsContact C-N 3.31Å; S164-Q166 PolarHBondContact O-N 2.94Å; S164-Q166 VanDerWaalsContact O-N 3.1Å
167N40.1Very low41.2Very low153 Ų153161.1 Ų161.182%0.81884%0.836SS**  trans-10.4124.1170.3-50.2-39.5000114.1E169N167-E169 PolarHBondContact O-N 3.18Å; N167-E169 VanDerWaalsContact O-N 3.1Å
168G47.1Very low40.7Very low81 Ų81154.4 Ų154.484%0.83583%0.831SS**  trans-55116.6-177.900000111.6
169E33.2Very low40.5Very low183 Ų183158.2 Ų158.286%0.85584%0.838SS**  trans-159.4121.9152.4-107.6166.5-178.400106.7N167N167-E169 PolarHBondContact O-N 3.18Å; N167-E169 VanDerWaalsContact O-N 3.1Å
170V45.8Very low39.9Very low138 Ų138150.4 Ų150.484%0.83683%0.833SS**  trans-86.5119.9175.3176.70000105.9
171V38.6Very low39.6Very low125 Ų125146 Ų14676%0.75883%0.828SS**  trans-132107.7163.6-177.20000107.5
172E44.8Very low39.8Very low177 Ų177147.9 Ų147.983%0.82783%0.826SS**  trans-70.4136.3155.7-75.2-173.3129.600108.2
173E38.2Very low40.1Very low198 Ų198142.1 Ų142.193%0.92582%0.818SS**  trans-165.7159.8135.9-114.2175.217600113.2
174K36.2Very low40.9Very low178 Ų178142.8 Ų142.877%0.77482%0.817SS**  trans-93160.8-152.4-107.9173.7162.6-176.80115
175D39.7Very low41.2Very low144 Ų144146.4 Ų146.477%0.7782%0.822SS**  trans54.2117.7143.2-54-31.7000120.5
176G31.8Very low41Very low82 Ų82147 Ų14785%0.84582%0.817SS**  trans173.8109.5163.600000114
177V41Very low41.3Very low148 Ų148144.4 Ų144.490%0.89782%0.815SS**  trans-76.5137.7179.71770000111.5
178A36.1Very low41.9Very low96 Ų96145.9 Ų145.979%0.79382%0.817SS**  trans-172.7127.8140.300000111.8
179E42.4Very low42Very low202 Ų202153.5 Ų153.594%0.94482%0.821SS**  trans-60.7145.8168.5-65.2175.8138.200111.6
180G36.6Very low42.7Very low79 Ų79155.8 Ų155.881%0.81482%0.822SS**  trans178.7101176.800000112
181D40.2Very low42.7Very low147 Ų147160 Ų16079%0.78682%0.823SS**  trans-61.2163.1-178.7-154.40.1000113.3
182Q47.7Very low42.9Very low156 Ų156163.5 Ų163.573%0.72983%0.828SS**  trans93.1115.8159.8-57.1174.82900121
183T44.8Very low42.9Very low122 Ų122164.3 Ų164.375%0.74883%0.825SS**  trans82.294.9144.2630000119.4Q185T183-Q185 PolarHBondContact O-N 3.35Å; T183-Q185 VanDerWaalsContact O-N 3.15Å
184Q51.7Low43.4Very low176 Ų176165.8 Ų165.882%0.82282%0.822SS**  trans-60.2105.3155.5-62.5172.419.800110.3
185Q43.8Very low43.8Very low182 Ų182163 Ų16385%0.8582%0.822SS**  trans-97.291.3154.9-72.8-165.323.900109.2T183T183-Q185 PolarHBondContact O-N 3.35Å; T183-Q185 VanDerWaalsContact O-N 3.15Å
186M39.5Very low44Very low148 Ų148166.2 Ų166.273%0.72983%0.825SS**PPolyproline II helixtrans-61129.4163.7-72.6-80-172.300108.9Q188M186-Q188 PolarHBondContact O-N 3.47Å
187P47.3Very low45Very low118 Ų118174 Ų17477%0.76683%0.829SS**PPolyproline II helixtrans-64125.8174.224.8-31.6000109.2R189P187-R189 PolarHBondContact O-N 3.25Å; P187-R189 VanDerWaalsContact O-N 3.1Å
188Q54.1Low45.4Very low184 Ų184178.1 Ų178.186%0.8683%0.828SS**PPolyproline II helixtrans-54.8118.7-176.4-63.3-136.1-10.100110.8M186 R190M186-Q188 PolarHBondContact O-N 3.47Å; Q188-R190 PolarHBondContact O-N 3.05Å
189R48.3Very low46.2Very low240 Ų240179 Ų17991%0.90683%0.826SS**  trans-56.8105.1168.3-76.4-178156.2-144.3-3.8108.1P187 R191P187-R189 PolarHBondContact O-N 3.25Å; P187-R189 VanDerWaalsContact O-N 3.1Å; R189-R191 PolarHBondContact O-N 2.88Å
190R48.8Very low46.4Very low232 Ų232179.2 Ų179.288%0.87582%0.824SS**  trans-51.9103.4165.7-75.9-178.7165.2-118.8-1.2107.8Q188 F192Q188-R190 PolarHBondContact O-N 3.05Å; R190-F192 PolarHBondContact O-N 3.08Å
191R44.7Very low47.3Very low226 Ų226186.7 Ų186.785%0.85383%0.828SS**  trans-62104.7168.5-67.6-177.9-175.6-150.11.9105.5R189 Y193R189-R191 PolarHBondContact O-N 2.88Å; R191-Y193 VanDerWaalsContact C-N 3.26Å; R191-Y193 PolarHBondContact O-N 3.27Å
192F43.4Very low47.9Very low199 Ų199185.2 Ų185.287%0.87383%0.826SS**  trans-59.398.1162.6-85.2-89.2000106.7R190 R194R190-F192 PolarHBondContact O-N 3.08Å; F192-R194 PolarHBondContact O-N 3.06Å
193Y43.8Very low48.1Very low193 Ų193189.1 Ų189.176%0.75783%0.834SS**  trans-53.9111.8160.7-96.6-96.1000106.4R191 P195R191-Y193 VanDerWaalsContact C-N 3.26Å; R191-Y193 PolarHBondContact O-N 3.27Å; Y193-P195 WeakPolarHBondContact O-CD 3.38Å
194R50Low48.7Very low229 Ų229188.6 Ų188.686%0.86483%0.833SS**PPolyproline II helixtrans-59119.5163.6-81.4162.889.7-174.55.9105.2F192 Y196F192-R194 PolarHBondContact O-N 3.06Å; R194-Y196 PolarHBondContact O-N 3.28Å; R194-Y196 VanDerWaalsContact O-N 3.14Å
195P44.1Very low48.7Very low120 Ų120186 Ų18678%0.77983%0.831SS**PPolyproline II helixtrans-61.5127.2176.725.2-31000107Y193 R197Y193-P195 WeakPolarHBondContact O-CD 3.38Å; P195-R197 PolarHBondContact O-N 3.15Å; P195-R197 VanDerWaalsContact O-N 3.09Å
196Y43.3Very low49.3Very low211 Ų211181.9 Ų181.983%0.82783%0.828SS**PPolyproline II helixtrans-46.8119.3174.6-82.3-98000108.9R194 R198R194-Y196 PolarHBondContact O-N 3.28Å; R194-Y196 VanDerWaalsContact O-N 3.14Å; Y196-R198 PolarHBondContact O-N 3.44Å
197R54.1Low49.9Very low245 Ų245182.4 Ų182.493%0.92583%0.834SS**  trans-62.6109.3163.5-82.6-171.9178.6-125.60.3106.2P195P195-R197 PolarHBondContact O-N 3.15Å; P195-R197 VanDerWaalsContact O-N 3.09Å
198R49.2Very low50.1Low236 Ų236186.1 Ų186.189%0.89184%0.841SS**PPolyproline II helixtrans-48.1128.2169.7-99.5178.9167.4-160.7-3109.1Y196 F200Y196-R198 PolarHBondContact O-N 3.44Å; R198-F200 PolarHBondContact O-N 3.22Å
199P51.4Low49.8Very low115 Ų115182.8 Ų182.875%0.74784%0.838SS**PPolyproline II helixtrans-63.5136.4169.525.4-29.9000108.9R201P199-R201 PolarHBondContact O-N 3.3Å
200F46.7Very low49.6Very low205 Ų205176.4 Ų176.490%0.89984%0.837SS**PPolyproline II helixtrans-60.3119.7178.4-141.8-96.8000108.6R198R198-F200 PolarHBondContact O-N 3.22Å
201R56.8Low49.3Very low236 Ų236169.5 Ų169.589%0.89183%0.83SS**PPolyproline II helixtrans-88.9120.8169.8-80.1-171.7179.8-143.90.4108.7P199P199-R201 PolarHBondContact O-N 3.3Å
202P53.5Low49.1Very low117 Ų117165.5 Ų165.576%0.7683%0.825SS**PPolyproline II helixtrans-68.6149.817127.8-29.9000110.5
203R50.8Low48.9Very low237 Ų237165.6 Ų165.689%0.89483%0.828SS**PPolyproline II helixtrans-75.4137-179-154.5177.6-168.2-1710.5109.3
204P57.1Low48.9Very low111 Ų111165 Ų16572%0.72183%0.829SS**PPolyproline II helixtrans-68.5151.6175.328.1-33.2000111.3
205P52.7Low48.5Very low121 Ų121160 Ų16079%0.78683%0.827SS**PPolyproline II helixtrans-67.4151.417629.5-33.6000111.1
206A56Low48.1Very low96 Ų96160.4 Ų160.479%0.79383%0.827SS**PPolyproline II helixtrans-80.7124.4178.300000110.1
207D51.5Low48Very low160 Ų160154.8 Ų154.886%0.85682%0.824SS**PPolyproline II helixtrans-66.7134173.7-71.6-35.3000111.1
208Q51.2Low47.1Very low196 Ų196148.9 Ų148.992%0.91682%0.82SS**  trans-90.6102.7174.1-65176.3-3.400108.9
209S47.9Very low46.7Very low113 Ų113146.2 Ų146.279%0.7982%0.818SS**  trans-163.388160.961.20000111.2
210A43.6Very low45.9Very low107 Ų107149.8 Ų149.888%0.88483%0.825SS**  trans-170.471.4154.100000108.4
211A43.5Very low45.1Very low87 Ų87143.5 Ų143.572%0.71982%0.817SS**  trans-89.6145.716000000108.7
212D40.1Very low44.1Very low142 Ų142141.9 Ų141.976%0.75982%0.817SS**  trans78.8102.1161-58.2-43000119.6
213Q39.9Very low43.3Very low200 Ų200144.4 Ų144.494%0.93582%0.819SS**  -166.4141.7100.3-95.7169.369.100112.8
214K43.6Very low42.6Very low180 Ų180140.9 Ų140.978%0.78381%0.812SS**  trans-74.5172.1-169.2-63.8-176.6175.6-179.10114.6V216K214-V216 HydrophobicContact CB-CG2 4.44Å; K214-V216 HydrophobicContact CD-CG2 4.42Å
215P42Very low41.5Very low126 Ų126144.2 Ų144.282%0.81882%0.818SS**  -135.5123.6103.434.3-22000111.6
216V35.9Very low40.7Very low128 Ų128143 Ų14378%0.77682%0.819SS**  48.1115.689.1-161.20000114.4K214K214-V216 HydrophobicContact CB-CG2 4.44Å; K214-V216 HydrophobicContact CD-CG2 4.42Å
217A41.1Very low39.6Very low93 Ų93146.5 Ų146.577%0.76982%0.818SS**  trans-84.6163.4-17600000113.4
218S35.1Very low38.8Very low120 Ų120144 Ų14484%0.83981%0.809SS**  trans-151.2123.8153.748.10000109.6
219E39.5Very low38.2Very low180 Ų180143.5 Ų143.584%0.84180%0.803SS**  trans-82.5174.5173.4-71.2-176.9137.300112.3
220E35.2Very low37.5Very low191 Ų191146.6 Ų146.689%0.89381%0.805SS**  trans93.7124.3154.7-56.2-165.1152.800119.8
221G31.1Very low37.2Very low72 Ų72146.7 Ų146.774%0.74280%0.795SS**  trans130.799.6131.200000119.7
222K35.1Very low36.7Very low202 Ų202151 Ų15188%0.87880%0.8SS**  trans80.6113137.5-65.7-178.5176.8179.20122.6
223E35.8Very low36.4Very low171 Ų171149.5 Ų149.580%0.79980%0.8SS**  22.2134124.4-59.7178.2167.600122.2
224Q37.5Very low37.1Very low162 Ų162145.1 Ų145.176%0.75779%0.789SS**  trans145.1107.6132.6-78.4173.841.200110.1
225Q33.7Very low36.5Very low182 Ų182144.7 Ų144.785%0.8579%0.79SS**  90.2138.592.1-81-171.134.100115.1
226A35.5Very low36.1Very low96 Ų96143.8 Ų143.879%0.79379%0.787SS**  trans72.2150158.100000118.3
227E32.6Very low36.2Very low169 Ų169143.8 Ų143.879%0.7979%0.787SS**  cis-177.9159.5-21.4-162.8-170.4127.200105
228V35.5Very low36Very low107 Ų107147.9 Ų147.965%0.64879%0.79SS**  trans69.4127.6157.2-129.10000123.3
229K37.7Very low36.1Very low186 Ų186148.8 Ų148.881%0.80979%0.791SS**  95.9107.9127.1-117.3171.9177.5177.50120.2
230Q34.8Very low36Very low177 Ų177148.5 Ų148.583%0.82780%0.795SS**  trans-47158.3145.7-60172.4-2.300111.9
231V36Very low36Very low109 Ų109142.6 Ų142.666%0.66179%0.785SS**  172.9125.8127.3154.30000110.3
232E33.6Very low36.1Very low178 Ų178148.6 Ų148.683%0.83279%0.794SS**  trans63.3126.3143.7-67.4166.4177.100123.5
233S33.3Very low36.3Very low110 Ų110145.3 Ų145.377%0.76979%0.791SS**  trans-55.3-179.8145-38.60000111.5
234P54.2Low36.9Very low108 Ų108142.3 Ų142.370%0.70179%0.786SS**  cis-149.5-174.515.838-13.1000116.9
235E32.6Very low36.9Very low171 Ų171141.6 Ų141.680%0.79979%0.793SS**  trans75.5130.8139.3-90.2178.5172.600124.9
236S32.7Very low37.3Very low107 Ų107142.6 Ų142.675%0.74880%0.798SS**  trans74.8151.7142.376.60000116.4
237V37Very low37.4Very low128 Ų128141.1 Ų141.178%0.77679%0.793SS**  cis-157.5153.534.2175.90000108.9
238Q37.8Very low37.9Very low179 Ų179142.1 Ų142.184%0.83680%0.797SS**  trans-69.2139.6170.1-60.5162.1-29.400112.3
239T37.9Very low38.2Very low139 Ų139147 Ų14785%0.85381%0.809SS**  trans-145.4136.2145.251.50000110.8
240N36.8Very low38.7Very low174 Ų174144 Ų14493%0.9381%0.809SS**  trans-88.4143.6169-67.4-55.2000108.7
241G34.4Very low39.4Very low67 Ų67147 Ų14769%0.69181%0.813SS**  trans-160.599.5172.500000111.5
242E34.8Very low39.9Very low198 Ų198153.4 Ų153.493%0.92583%0.825SS**  trans49.4132.5144.4-69.9168.7112.100123
243T38.6Very low40.5Very low133 Ų133150.8 Ų150.882%0.81682%0.823SS**  trans-73.7-170.3173.852.60000113.4
244P48.3Very low41Very low108 Ų108151 Ų15170%0.70183%0.825SS**  cis-130.8151-42.729.9-12.4000111.9
245T37.1Very low40.6Very low147 Ų147157.7 Ų157.790%0.90284%0.836SS**  trans-153.4132.9155.241.40000112.8
246E41.8Very low41.2Very low203 Ų203161.2 Ų161.295%0.94984%0.843SS**  trans-50.2132.3174.3-164.4170.4-16300113.5
247G37.5Very low41.8Very low66 Ų66167.3 Ų167.368%0.6885%0.849SS**  trans168.894176.400000115.2
248Q43.3Very low42.1Very low190 Ų190172.8 Ų172.889%0.88886%0.856SS**  trans40.6102.4143-55.2-178.925.300117.7P250Q248-P250 WeakPolarHBondContact O-CD 2.98Å
249K43.4Very low42.4Very low208 Ų208172.9 Ų172.990%0.90486%0.856SS**PPolyproline II helixtrans-65.9119.5169.6-69177.7179.2176.20111.2
250P46.5Very low42.7Very low123 Ų123177.6 Ų177.680%0.79986%0.859SS**PPolyproline II helixtrans-77.5138.7164.529.9-30.7000110.9Q248 R252Q248-P250 WeakPolarHBondContact O-CD 2.98Å; P250-R252 PolarHBondContact O-N 2.97Å
251R49.8Very low42.8Very low242 Ų242176 Ų17691%0.91385%0.85SS**PPolyproline II helixtrans-64.3128.2-179.5-61169.789.2143.12.4109.9
252R46.8Very low43.2Very low242 Ų242178.1 Ų178.191%0.91385%0.854SS**PPolyproline II helixtrans-53.8128.7169.1-84.1179.3156-176-4.2110.6P250P250-R252 PolarHBondContact O-N 2.97Å
253P46.1Very low43.8Very low123 Ų123177.6 Ų177.680%0.79985%0.852SS**PPolyproline II helixtrans-70.5135.4167.226.9-30.3000110.1R255P253-R255 PolarHBondContact O-N 3.35Å
254S43.1Very low43.9Very low116 Ų116176.4 Ų176.481%0.81185%0.849SS**PPolyproline II helixtrans-56.7128176.252.10000111R256S254-R256 PolarHBondContact O-N 3.16Å
255R46.1Very low43.5Very low247 Ų247177.2 Ų177.293%0.93286%0.857SS**PPolyproline II helixtrans-53.5124.1172.3-78.3-179.9173.1177.9-3.1110.5P253 R257P253-R255 PolarHBondContact O-N 3.35Å; R255-R257 PolarHBondContact O-N 3.23Å
256R44.8Very low43.7Very low246 Ų246176.1 Ų176.193%0.92885%0.851SS**  trans-49.1114.8171.9-146.9171.8-175.4-176.60.6109.6S254 R258S254-R256 PolarHBondContact O-N 3.16Å; R256-R258 PolarHBondContact O-N 3.15Å; R256-R258 VanDerWaalsContact O-N 3.14Å
257R45.3Very low43.7Very low235 Ų235172.2 Ų172.289%0.88785%0.845SS**  trans-61.7110.3172-179176.3177.3175.5-1.8108R255 Q259R255-R257 PolarHBondContact O-N 3.23Å; R257-Q259 PolarHBondContact O-N 3.17Å; R257-Q259 VanDerWaalsContact O-N 3.07Å
258R44Very low44Very low243 Ų243179.6 Ų179.692%0.91786%0.859SS**  trans-51.4113.7170-86.4178.3169.2169.8-4.6108.7R256 R260R256-R258 PolarHBondContact O-N 3.15Å; R256-R258 VanDerWaalsContact O-N 3.14Å; R258-R260 PolarHBondContact O-N 3.38Å
259Q43.6Very low44Very low181 Ų181174.8 Ų174.885%0.84685%0.851SS**  trans-63.7120.3162.7-78.1172.6-35.700106.8R257R257-Q259 PolarHBondContact O-N 3.17Å; R257-Q259 VanDerWaalsContact O-N 3.07Å
260R43.8Very low43.8Very low238 Ų238176.1 Ų176.190%0.89885%0.851SS**  trans-92.9108.7171.1-166.4-176.3-89.1-145.6-3.4104.5R258 S262R258-R260 PolarHBondContact O-N 3.38Å; R260-S262 PolarHBondContact O-N 3.35Å
261N40.2Very low43.7Very low140 Ų140178.8 Ų178.875%0.74985%0.85SS**  trans-63119.2173.3-67-6.1000107.7
262S42.8Very low43Very low112 Ų112174.8 Ų174.878%0.78385%0.847SS**  trans-105.7100167.751.50000106.9R260R260-S262 PolarHBondContact O-N 3.35Å
263E47.6Very low42.9Very low186 Ų186172.2 Ų172.287%0.86985%0.845SS**  trans-95.5105.3165.3-71-177.8169.100107.8
264S39.8Very low42.9Very low109 Ų109173.3 Ų173.376%0.76285%0.85SS**  trans-89.4109.6162.850.60000107.9
265S40.9Very low43.3Very low124 Ų124176.4 Ų176.487%0.86785%0.851SS**  trans-95.9100.9169470000109.8
266T40.7Very low43.1Very low125 Ų125173.8 Ų173.877%0.76785%0.847SS**  trans-108.3116159.750.80000107.7
267S42.4Very low43Very low120 Ų120167.3 Ų167.384%0.83984%0.839SS**  trans159.3116.9136.159.30000110.6
268K42.4Very low42.4Very low221 Ų221159.2 Ų159.296%0.96183%0.829SS**  trans-137.7112.6150.1-123.1175.1-176.1176.50107.8
269A43.3Very low42.3Very low89 Ų89153.1 Ų153.174%0.73682%0.824SS**  trans-124.5160.916600000107.5
270R39.8Very low42.4Very low236 Ų236153.4 Ų153.489%0.89183%0.825SS**  trans92.2135.5-175.3-57.1-178.9177.7-155.1-1.8112.2
271K45.1Very low43.1Very low180 Ų180148.1 Ų148.178%0.78382%0.821SS**  cis-165.31573.3-142.6176.4177.6-173.80104.1
272N34.6Very low42.9Very low158 Ų158145 Ų14585%0.84582%0.823SS**  trans171.9111.9131.9-82.8-6.7000110.7
273E44.6Very low43Very low187 Ų187145.4 Ų145.487%0.87483%0.826SS**  trans-110.1137.8150.3-68.5179.6152.700106.1
274T46.8Very low43.4Very low147 Ų147142.2 Ų142.290%0.90282%0.821SS**  trans-171.8128.1144.1-67.80000107.8
275E49.8Very low44.3Very low181 Ų181143 Ų14385%0.84682%0.824SS**  trans-76.4166.2-179.2-55.2-174.8139.300113.6
276K42.1Very low44.6Very low191 Ų191145.8 Ų145.883%0.8382%0.823SS**  135.8109.2122.5-166.6160.2-179-176.10116.9
277S42.9Very low44.5Very low110 Ų110145 Ų14577%0.76982%0.823SS**  trans42.9133.7141.571.50000124.4
278G33.9Very low44.5Very low66 Ų66145.2 Ų145.268%0.6882%0.819SS**  trans151.8118.613600000116.3
279S41.6Very low44.7Very low115 Ų115142.2 Ų142.280%0.80481%0.813SS**  trans18.4143.4144.747.20000119.7
280E44.3Very low45.3Very low186 Ų186143 Ų14387%0.86981%0.811SS**  cis-174.2169.416.7-113.7-179.2165.400106.6
281P60.4Low45.3Very low127 Ų127138.5 Ų138.583%0.82581%0.81SS**  trans-100.9148.3-173.236.8-28.7000114
282G34.1Very low45Very low76 Ų76133.4 Ų133.478%0.78481%0.808SS**  trans-156.5116.6172.300000113.5
283S45.3Very low45.2Very low120 Ų120132.9 Ų132.984%0.83981%0.806SS**  trans-52.6163167.1-50.90000112.6
284P56Low44.9Very low119 Ų119132.9 Ų132.977%0.77380%0.803SS**  -155.7-157.193.844.5-22.8000113.4
285P58.9Low44.6Very low126 Ų126131.3 Ų131.382%0.81880%0.798SS**  -129.1-170.8-102.538-15.2000115.1
286Q46.7Very low44.6Very low182 Ų182129 Ų12985%0.8580%0.796SS**  trans-75.1168.2-174.8-65.9-165.7-20.900117.8
287S38.5Very low45.3Very low108 Ų108125.4 Ų125.476%0.75579%0.792SS**  trans88.8141.3154.988.90000115.9
288T44.2Very low45.4Very low125 Ų125130.3 Ų130.377%0.76780%0.8SS**  cis-156.9154.636.845.60000112
289N45.1Very low45.7Very low157 Ų157132.6 Ų132.684%0.8481%0.805SS**  trans-90.3156.4150.4-88-20.3000107.2
290P57.2Low46Very low107 Ų107132.6 Ų132.670%0.69581%0.805SS**  -162.1-175.375.241.1-17.6000118.1
291T39.1Very low46Very low141 Ų141133.6 Ų133.687%0.86581%0.807SS**  trans73.8136.6159.961.30000118.4
292G37.8Very low45.1Very low72 Ų72133.4 Ų133.474%0.74281%0.808SS**  cis176.7152200000111.2
293D39.5Very low45.9Very low148 Ų148135.4 Ų135.479%0.79181%0.81SS**  trans61.1134.8144.6-85-27000126.1
294K39Very low46.4Very low187 Ų187135.2 Ų135.281%0.81381%0.806SS**  trans70.8137.1148.6-72.1171.1178.3176.30116.9
295S40.6Very low46Very low114 Ų114139.5 Ų139.580%0.79781%0.813SS**  cis-174.5143.714310000108.3
296T48.8Very low45.6Very low132 Ų132139.8 Ų139.881%0.8181%0.812SS**  trans-82.7-173.2164.356.70000110.1
297P57.1Low45.7Very low115 Ų115136.4 Ų136.475%0.74781%0.809SS**  cis-128.2169.6-32.222.1-0.4000112
298K44.4Very low46.9Very low214 Ų214136.9 Ų136.993%0.9381%0.809SS**  trans-140.8144.4153.5-108.9180-174.2176.70112
299S39.9Very low47Very low113 Ų113140.5 Ų140.579%0.7982%0.815SS**  trans-106.9145.7-160.443.30000112.4
300S49.5Very low47.5Very low116 Ų116141 Ų14181%0.81181%0.814SS**  trans-164.8100.1150.1480000106.7
301K42.8Very low47.9Very low207 Ų207142 Ų14290%0.982%0.82SS**  44.495.976.4-105.4-179.5-176.6176.10113.9
302S42.3Very low48.3Very low122 Ų122144.3 Ų144.385%0.85382%0.818SS**  178.5128.5115.644.30000111.5
303S50.8Low48.9Very low119 Ų119145.6 Ų145.683%0.83282%0.816SS**  trans-99.6-163.6174.2-49.70000110
304P55.7Low49.9Very low116 Ų116144.4 Ų144.475%0.75382%0.816SS**  -100.5169.1-120.931.8-11000114
305K48.7Very low50.3Low209 Ų209144.2 Ų144.291%0.90982%0.818SS**  trans-136.195.5167.5-92.8-175.5176.6178.50112.9
306T50Low51Low131 Ų131143.6 Ų143.680%0.80482%0.82SS**  17.4129.4123.1-25.70000119.7
307S48.3Very low51.2Low111 Ų111145.5 Ų145.578%0.77682%0.82SS**  trans-64.7161.6160-42.50000113.7
308P62.9Low50.8Low119 Ų119146.7 Ų146.777%0.77383%0.825SS**  trans-136128.5134.631.2-15.5000111.1
309K47.7Very low51.1Low201 Ų201140.3 Ų140.387%0.87481%0.812SS**  73.3112.582-161.1173.8-177.4178.90113.4
310M55.1Low51.4Low167 Ų167140.8 Ų140.882%0.82381%0.81SS**  trans-52.6159.9167.4-56.217074.200112.5
311P64.7Low51.3Low128 Ų128143.8 Ų143.883%0.83181%0.811SS**  trans-111.8148.1139.633.1-27.8000112.7
312K49.3Very low51.9Low189 Ų189138.6 Ų138.682%0.82280%0.797SS**  trans-107.5154.7-178.1-167.2-178.6179.8176.20107.6
313S50.6Low52.3Low100 Ų100141 Ų14170%0.69979%0.794SS**  trans85.2157.8158.3-51.90000117.7
314P60.1Low52.4Low122 Ų122139.2 Ų139.279%0.79279%0.787SS**  cis-132.7164.311.238.2-19.9000117.6
315E46.3Very low52.1Low183 Ų183142.4 Ų142.486%0.85579%0.792SS**  trans-47.6142.3151.7-81.5158.9119.100112
316A56.6Low52.4Low101 Ų101139.1 Ų139.184%0.83579%0.79SS**  trans-137.3114149.200000107.7
317E52.2Low52.6Low172 Ų172145.7 Ų145.780%0.80481%0.811SS**  trans-63.6155.6156.9-58.1-168.1147.700110
318V47.9Very low52.9Low141 Ų141147.5 Ų147.586%0.85581%0.813SS**  trans161.5140.6130.3161.50000111
319A51.5Low52.3Low79 Ų79148.9 Ų148.965%0.65382%0.815SS**  trans87.1104.8164.300000117.3
320T46.6Very low52.6Low123 Ų123146.1 Ų146.176%0.75581%0.812SS**  71.8132.962.263.30000115.7
321E46.7Very low52.4Low179 Ų179144.8 Ų144.884%0.83681%0.811SS**  trans74.7143.9162-71.4-174.4113.200117.3
322V55Low51.7Low98 Ų98145.9 Ų145.959%0.59481%0.81SS**  cis-171.21546.7131.90000107.8
323E50.5Low51.8Low172 Ų172143 Ų14380%0.80481%0.809SS**  trans31.3126152.1-65.3176.1133.500121.8
324A53.4Low51.9Low82 Ų82146.1 Ų146.168%0.67882%0.817SS**  83.5121.581.200000115.5
325Q49.3Very low51.3Low183 Ų183147.9 Ų147.986%0.85582%0.819SS**  trans48153.2140.3-60.2-174.9-0.200122.2
326T56.3Low51.7Low141 Ų141145 Ų14587%0.86582%0.816SS**  trans91.2128.3177.170.10000113.5
327E54.3Low51.3Low269 Ų269149 Ų149100%1.25781%0.814SS**  cis-13107.4-76.8176.5117.500111.3

Retrieved 327 of 327 residues in 116.1 ms (Link to these results)