A0A087XPU2_POEFO Loading...

Survival of motor neuron 1, telomeric

AlphaFold DB , UniProt , Accession A0A087XPU2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 283 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
1M39.8Very low57.4Low239 Ų239141.7 Ų141.7100%1.17781%0.807SS**  0125.20-70.2143.6175.200107.2
2A44.3Very low58.3Low101 Ų101149.7 Ų149.784%0.83582%0.815SS**  trans-107100-176.900000109.6G4A2-G4 VanDerWaalsContact C-N 3.34Å; A2-G4 PolarHBondContact O-N 2.97Å
3N51Low58.2Low147 Ų147142.6 Ų142.679%0.78680%0.798SS**  trans-81.584.2178.3-68-2.1000108.9C5N3-C5 PolarHBondContact O-N 3.45Å
4G50.2Low58.2Low67 Ų67142.8 Ų142.869%0.69180%0.804SS**  trans-7089.4176.900000111.7A2 K6A2-G4 VanDerWaalsContact C-N 3.34Å; A2-G4 PolarHBondContact O-N 2.97Å; G4-K6 PolarHBondContact O-N 3.01Å; G4-K6 VanDerWaalsContact O-N 3.09Å
5C58Low58.2Low123 Ų123137.7 Ų137.783%0.83180%0.796SS**  trans-60.2109.7170.1-66.20000109.7N3 E7N3-C5 PolarHBondContact O-N 3.45Å; C5-E7 PolarHBondContact O-N 2.87Å
6K62.2Low58Low197 Ų197140.4 Ų140.486%0.85780%0.8SS**  trans-80.895.6172.3-66.5-177.1-179.1-178.90108.6G4 V8G4-K6 PolarHBondContact O-N 3.01Å; G4-K6 VanDerWaalsContact O-N 3.09Å; K6-V8 PolarHBondContact O-N 2.66Å
7E65.7Low57.8Low157 Ų157138.1 Ų138.173%0.73479%0.794SS**  trans-68.1111.1173.3-168.5172.1-146.300109.7C5 L9C5-E7 PolarHBondContact O-N 2.87Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 HydrophobicContact CG-CD2 3.8Å; E7-L9 HydrophobicContact CG-CG 4.02Å; E7-L9 PolarHBondContact O-N 3.43Å; E7-L9 VanDerWaalsContact O-N 3.08Å
8V69.1Low57.8Low118 Ų118136.6 Ų136.672%0.71578%0.783SS**  trans-85.280.7-179.6-176.50000108.5K6 F10K6-V8 PolarHBondContact O-N 2.66Å; V8-F10 PolarHBondContact O-N 3.47Å
9L64.4Low57.7Low131 Ų131135.6 Ų135.669%0.68678%0.775SS**  trans-66.3-13.3-176.1-69.7171.1000114.6E7E7-L9 VanDerWaalsContact C-N 3.33Å; E7-L9 HydrophobicContact CG-CD2 3.8Å; E7-L9 HydrophobicContact CG-CG 4.02Å; E7-L9 PolarHBondContact O-N 3.43Å; E7-L9 VanDerWaalsContact O-N 3.08Å
10F60.5Low57.7Low190 Ų190132.1 Ų132.183%0.83376%0.759SS**  trans-138.1115.7175.2-105.7-95.1000111.5V8V8-F10 PolarHBondContact O-N 3.47Å
11A66.1Low58.1Low89 Ų89132.1 Ų132.174%0.73676%0.757SS**  trans-96118.9159.500000108.2G13A11-G13 PolarHBondContact O-N 2.69Å
12R68.7Low59.5Low237 Ų237126.6 Ų126.689%0.89473%0.73SS**  trans-70.896.7173.2-171.8170.1100.798.9-6.5108.5T14R12-T14 PolarHBondContact O-N 2.81Å
13G57.1Low61.2Low58 Ų58133.3 Ų133.360%0.59873%0.734SS**  trans-54.4138.117800000111.1A11 G15A11-G13 PolarHBondContact O-N 2.69Å; G13-G15 PolarHBondContact O-N 2.97Å
14T57.3Low62.9Low145 Ų145129.1 Ų129.189%0.8971%0.712SS**  trans-7750.717451.70000111R12 Q16R12-T14 PolarHBondContact O-N 2.81Å; T14-Q16 PolarHBondContact O-N 2.95Å
15G58.3Low64.6Low66 Ų66130.9 Ų130.968%0.6871%0.705SS**  trans-72.998.816300000108.1G13 S17G13-G15 PolarHBondContact O-N 2.97Å; G15-S17 PolarHBondContact O-N 3.33Å
16Q55.5Low66.2Low182 Ų182127.4 Ų127.485%0.8568%0.681SS**  trans-71.286.9149.4-75.3172.9102.500105.7T14 D18T14-Q16 PolarHBondContact O-N 2.95Å; Q16-D18 VanDerWaalsContact C-N 3.25Å; Q16-D18 PolarHBondContact O-N 3.29Å; Q16-D18 VanDerWaalsContact O-N 3.1Å
17S54.5Low67.4Low101 Ų101121.2 Ų121.271%0.70667%0.666SS**  trans-68.695157.349.70000105.8G15 D19G15-S17 PolarHBondContact O-N 3.33Å; S17-D19 PolarHBondContact O-N 2.97Å
18D57.3Low68.6Low111 Ų111120 Ų12059%0.59466%0.664SS**  trans-74.674177.6-131.811.2000107.7Q16 S20 D21Q16-D18 VanDerWaalsContact C-N 3.25Å; Q16-D18 PolarHBondContact O-N 3.29Å; Q16-D18 VanDerWaalsContact O-N 3.1Å; D18-S20 PolarHBondContact O-N 2.82Å; D18-S20 PolarHBondContact O-OG 3.3Å; D18-D21 PolarHBondContact O-N 3.36Å
19D56.6Low69.8Low117 Ų117118.2 Ų118.263%0.62665%0.65SS**THydrogen-bonded Turntrans-60-14-172.5-153.144.1000112.4S17 D21 I22S17-D19 PolarHBondContact O-N 2.97Å; D19-D21 PolarHBondContact O-N 2.99Å; D19-I22 WeakPolarHBondContact O-CB 3.38Å; D19-I22 PolarHBondContact O-N 3.11Å; D19-I22 VanDerWaalsContact OD1-CD1 3.29Å; D19-I22 WeakPolarHBondContact OD1-CD1 3.49Å
20S58.3Low71.2Confident65 Ų65118.1 Ų118.146%0.45564%0.644SS.*Hα-helixtrans-50.6-37.5163.744.50000113.6D18 I22 W23 D24D18-S20 PolarHBondContact O-N 2.82Å; D18-S20 PolarHBondContact O-OG 3.3Å; S20-I22 PolarHBondContact O-N 3.37Å; S20-W23 PolarHBondContact O-N 2.89Å; S20-W23 VanDerWaalsContact O-N 3.12Å; S20-D24 VanDerWaalsContact O-CB 3.32Å; S20-D24 WeakPolarHBondContact O-CB 3.15Å; S20-D24 PolarHBondContact O-N 2.68Å
21D65.9Low72.9Confident134 Ų134111.8 Ų111.872%0.71763%0.626SS**Hα-helixtrans-61.7-17.5-179.5-90.99.9000112.9D18 D19D18-D21 PolarHBondContact O-N 3.36Å; D19-D21 PolarHBondContact O-N 2.99Å
22I68.1Low74.3Confident122 Ų122115.1 Ų115.163%0.62662%0.621SS**Hα-helixtrans-76.4-35.8177.8-56.4-170000111.5D19 S20D19-I22 WeakPolarHBondContact O-CB 3.38Å; D19-I22 PolarHBondContact O-N 3.11Å; D19-I22 VanDerWaalsContact OD1-CD1 3.29Å; D19-I22 WeakPolarHBondContact OD1-CD1 3.49Å; S20-I22 PolarHBondContact O-N 3.37Å
23W80.3Confident75.7Confident242 Ų242108.4 Ų108.492%0.91760%0.603SS**Hα-helixtrans-120.48.1-176.8-68-11.2000114.5S20 D25S20-W23 PolarHBondContact O-N 2.89Å; S20-W23 VanDerWaalsContact O-N 3.12Å; W23-D25 PolarHBondContact O-N 3.33Å
24D86.1Confident77.5Confident60 Ų60113.5 Ų113.532%0.32161%0.609SS.*  trans-69.197.4175.2179.533.2000112.3S20 T26 A27S20-D24 VanDerWaalsContact O-CB 3.32Å; S20-D24 WeakPolarHBondContact O-CB 3.15Å; S20-D24 PolarHBondContact O-N 2.68Å; D24-T26 PolarHBondContact O-N 2.68Å; D24-T26 VanDerWaalsContact O-N 3.13Å; D24-T26 WeakPolarHBondContact OD1-CB 3.4Å; D24-T26 PolarHBondContact OD1-N 2.81Å; D24-T26 PolarHBondContact OD1-OG1 2.93Å; D24-T26 VanDerWaalsContact OD2-CB 3.29Å; D24-T26 WeakPolarHBondContact OD2-CB 3.2Å; D24-A27 PolarHBondContact O-N 2.77Å
25D87Confident79.2Confident103 Ų103109 Ų10955%0.55159%0.587SS**THydrogen-bonded Turntrans-66.3-1117680.1-27.8000113.3W23 A27 L28 I29W23-D25 PolarHBondContact O-N 3.33Å; D25-A27 PolarHBondContact O-N 2.98Å; D25-A27 VanDerWaalsContact O-N 3.11Å; D25-L28 WeakPolarHBondContact O-CA 3.45Å; D25-L28 WeakPolarHBondContact O-CB 3.36Å; D25-L28 PolarHBondContact O-N 2.74Å; D25-I29 WeakPolarHBondContact O-CG1 3.29Å; D25-I29 PolarHBondContact O-N 3.29Å
26T91.4Very high80.9Confident51 Ų51109 Ų10931%0.31357%0.573SS.*Hα-helixtrans-56.3-29.6173.7-46.40000111.7D24 K30D24-T26 PolarHBondContact O-N 2.68Å; D24-T26 VanDerWaalsContact O-N 3.13Å; D24-T26 WeakPolarHBondContact OD1-CB 3.4Å; D24-T26 PolarHBondContact OD1-N 2.81Å; D24-T26 PolarHBondContact OD1-OG1 2.93Å; D24-T26 VanDerWaalsContact OD2-CB 3.29Å; D24-T26 WeakPolarHBondContact OD2-CB 3.2Å; T26-K30 HydrophobicContact CG2-CD 3.89Å; T26-K30 HydrophobicContact CG2-CG 4.12Å; T26-K30 VanDerWaalsContact CG2-NZ 3.27Å; T26-K30 VanDerWaalsContact O-CB 3.23Å; T26-K30 WeakPolarHBondContact O-CB 3.28Å; T26-K30 WeakPolarHBondContact O-CD 3.36Å; T26-K30 WeakPolarHBondContact O-CG 3.26Å; T26-K30 PolarHBondContact O-N 2.81Å
27A87.4Confident82.7Confident67 Ų67102.8 Ų102.855%0.55455%0.553SS**Hα-helixtrans-62.5-42.7173.600000112.5D24 D25 A31D24-A27 PolarHBondContact O-N 2.77Å; D25-A27 PolarHBondContact O-N 2.98Å; D25-A27 VanDerWaalsContact O-N 3.11Å; A27-A31 WeakPolarHBondContact O-CB 3.24Å; A27-A31 PolarHBondContact O-N 3.23Å; A27-A31 VanDerWaalsContact O-N 3.09Å
28L90.8Very high84.3Confident132 Ų132101.3 Ų101.369%0.69154%0.542SS*.Hα-helixtrans-68.7-43.9176.8-173.870.6000111.1D25 A31 Y32D25-L28 WeakPolarHBondContact O-CA 3.45Å; D25-L28 WeakPolarHBondContact O-CB 3.36Å; D25-L28 PolarHBondContact O-N 2.74Å; L28-A31 WeakPolarHBondContact O-CB 3.3Å; L28-A31 PolarHBondContact O-N 2.85Å; L28-Y32 PolarHBondContact O-N 3.3Å
29I94.3Very high85.7Confident79 Ų79102.5 Ų102.541%0.40554%0.543SS..Hα-helixtrans-61.8-49.7177.6-62.8167.4000110.4D25 A31 Y32 D33D25-I29 WeakPolarHBondContact O-CG1 3.29Å; D25-I29 PolarHBondContact O-N 3.29Å; I29-A31 VanDerWaalsContact C-N 3.27Å; I29-A31 PolarHBondContact O-N 2.85Å; I29-Y32 PolarHBondContact O-N 2.79Å; I29-Y32 VanDerWaalsContact O-N 3.14Å; I29-D33 PolarHBondContact O-N 3.13Å
30K93.9Very high87.2Confident129 Ų129104.3 Ų104.356%0.56155%0.545SS*.Hα-helixtrans-57.8-37.6175.1-75.4163-178.5146.50112T26 K34T26-K30 HydrophobicContact CG2-CD 3.89Å; T26-K30 HydrophobicContact CG2-CG 4.12Å; T26-K30 VanDerWaalsContact CG2-NZ 3.27Å; T26-K30 VanDerWaalsContact O-CB 3.23Å; T26-K30 WeakPolarHBondContact O-CB 3.28Å; T26-K30 WeakPolarHBondContact O-CD 3.36Å; T26-K30 WeakPolarHBondContact O-CG 3.26Å; T26-K30 PolarHBondContact O-N 2.81Å; K30-K34 WeakPolarHBondContact O-CB 3.22Å; K30-K34 PolarHBondContact O-N 3.05Å
31A95.6Very high88.4Confident57 Ų57105.8 Ų105.847%0.47155%0.551SS.*Hα-helixtrans-67.5-42.3176.700000112.1A27 L28 I29 A35A27-A31 WeakPolarHBondContact O-CB 3.24Å; A27-A31 PolarHBondContact O-N 3.23Å; A27-A31 VanDerWaalsContact O-N 3.09Å; L28-A31 WeakPolarHBondContact O-CB 3.3Å; L28-A31 PolarHBondContact O-N 2.85Å; I29-A31 VanDerWaalsContact C-N 3.27Å; I29-A31 PolarHBondContact O-N 2.85Å; A31-A35 WeakPolarHBondContact O-CB 3.44Å; A31-A35 PolarHBondContact O-N 2.84Å
32Y96.3Very high89.1Confident160 Ų160103 Ų10363%0.62755%0.547SS*.Hα-helixtrans-62.9-51.1174.7-179.3-96.3000111.9L28 I29 K34 A35 V36L28-Y32 PolarHBondContact O-N 3.3Å; I29-Y32 PolarHBondContact O-N 2.79Å; I29-Y32 VanDerWaalsContact O-N 3.14Å; Y32-K34 VanDerWaalsContact C-N 3.3Å; Y32-K34 PolarHBondContact O-N 3.29Å; Y32-A35 WeakPolarHBondContact O-CA 3.46Å; Y32-A35 WeakPolarHBondContact O-CB 3.35Å; Y32-A35 PolarHBondContact O-N 3.13Å; Y32-V36 HydrophobicContact CD1-CG2 4.02Å; Y32-V36 HydrophobicContact CD2-CG2 4.49Å; Y32-V36 HydrophobicContact CE1-CG2 3.55Å; Y32-V36 HydrophobicContact CE2-CG2 4.07Å; Y32-V36 HydrophobicContact CG-CG2 4.47Å; Y32-V36 WeakPolarHBondContact O-CG2 3.24Å; Y32-V36 PolarHBondContact O-N 3.23Å
33D96.8Very high89.6Confident96 Ų96103.6 Ų103.651%0.51355%0.551SS.*Hα-helixtrans-59.6-40.5179.2-79-18.8000111.9I29 A35 V36 A37I29-D33 PolarHBondContact O-N 3.13Å; D33-A35 VanDerWaalsContact C-N 3.34Å; D33-A35 PolarHBondContact O-N 2.55Å; D33-V36 PolarHBondContact O-N 2.86Å; D33-A37 WeakPolarHBondContact O-CB 3.43Å; D33-A37 PolarHBondContact O-N 3.08Å
34K94.9Very high89.5Confident164 Ų164100.5 Ų100.571%0.71354%0.544SS*.Hα-helixtrans-63.9-36.4174.2-176.3178.6179.4-178.60112.5K30 Y32 S38K30-K34 WeakPolarHBondContact O-CB 3.22Å; K30-K34 PolarHBondContact O-N 3.05Å; Y32-K34 VanDerWaalsContact C-N 3.3Å; Y32-K34 PolarHBondContact O-N 3.29Å; K34-S38 WeakPolarHBondContact O-CB 3.44Å; K34-S38 PolarHBondContact O-N 3.27Å; K34-S38 PolarHBondContact O-OG 3.15Å
35A93.6Very high88.2Confident52 Ų52100.7 Ų100.743%0.4356%0.559SS.*Hα-helixtrans-71.8-43.6175.600000111.9A31 Y32 D33 S38 F39A31-A35 WeakPolarHBondContact O-CB 3.44Å; A31-A35 PolarHBondContact O-N 2.84Å; Y32-A35 WeakPolarHBondContact O-CA 3.46Å; Y32-A35 WeakPolarHBondContact O-CB 3.35Å; Y32-A35 PolarHBondContact O-N 3.13Å; D33-A35 VanDerWaalsContact C-N 3.34Å; D33-A35 PolarHBondContact O-N 2.55Å; A35-S38 PolarHBondContact O-N 3Å; A35-S38 PolarHBondContact O-OG 3.36Å; A35-S38 VanDerWaalsContact O-OG 3.07Å; A35-F39 WeakPolarHBondContact O-CB 3.47Å; A35-F39 PolarHBondContact O-N 3.04Å
36V94.7Very high86.8Confident65 Ų65105.1 Ų105.139%0.39458%0.577SS.*Hα-helixtrans-64.2-41.7175173.50000111Y32 D33 K40Y32-V36 HydrophobicContact CD1-CG2 4.02Å; Y32-V36 HydrophobicContact CD2-CG2 4.49Å; Y32-V36 HydrophobicContact CE1-CG2 3.55Å; Y32-V36 HydrophobicContact CE2-CG2 4.07Å; Y32-V36 HydrophobicContact CG-CG2 4.47Å; Y32-V36 WeakPolarHBondContact O-CG2 3.24Å; Y32-V36 PolarHBondContact O-N 3.23Å; D33-V36 PolarHBondContact O-N 2.86Å; V36-K40 WeakPolarHBondContact O-CB 3.32Å; V36-K40 PolarHBondContact O-N 2.91Å
37A92.4Very high85Confident52 Ų52109.7 Ų109.743%0.4360%0.599SS.*Hα-helixtrans-62.2-46.3174.900000111.9D33 K40 T41D33-A37 WeakPolarHBondContact O-CB 3.43Å; D33-A37 PolarHBondContact O-N 3.08Å; A37-K40 PolarHBondContact O-N 3.43Å; A37-T41 WeakPolarHBondContact O-CG2 3.39Å; A37-T41 PolarHBondContact O-N 2.91Å; A37-T41 PolarHBondContact O-OG1 3.25Å
38S88.4Confident82.7Confident69 Ų69114.3 Ų114.348%0.48361%0.609SS.*Hα-helixtrans-68-35.8179.767.10000113.1K34 A35 T41 A42K34-S38 WeakPolarHBondContact O-CB 3.44Å; K34-S38 PolarHBondContact O-N 3.27Å; K34-S38 PolarHBondContact O-OG 3.15Å; A35-S38 PolarHBondContact O-N 3Å; A35-S38 PolarHBondContact O-OG 3.36Å; A35-S38 VanDerWaalsContact O-OG 3.07Å; S38-T41 PolarHBondContact O-OG1 3.4Å; S38-T41 VanDerWaalsContact O-OG1 3.11Å; S38-A42 VanDerWaalsContact O-CB 3.23Å; S38-A42 WeakPolarHBondContact O-CB 3.09Å; S38-A42 PolarHBondContact O-N 3.13Å
39F87.7Confident80.4Confident137 Ų137112.1 Ų112.160%0.60161%0.606SS**Hα-helixtrans-66.6-40.7171.1-173.2-109.6000111.8A35 A42 L43A35-F39 WeakPolarHBondContact O-CB 3.47Å; A35-F39 PolarHBondContact O-N 3.04Å; F39-A42 PolarHBondContact O-N 3.09Å; F39-L43 HydrophobicContact CD1-CD1 3.93Å; F39-L43 HydrophobicContact CE1-CD1 3.41Å; F39-L43 VanDerWaalsContact CE1-CD1 3.41Å; F39-L43 HydrophobicContact CE1-CG 4.28Å; F39-L43 HydrophobicContact CE2-CD1 4.4Å; F39-L43 HydrophobicContact CZ-CD1 3.69Å; F39-L43 HydrophobicContact CZ-CG 4.25Å; F39-L43 WeakPolarHBondContact O-CB 3.39Å; F39-L43 WeakPolarHBondContact O-CG 3.21Å; F39-L43 PolarHBondContact O-N 3.45Å
40K86.6Confident77.7Confident155 Ų155117.2 Ų117.267%0.67463%0.627SS**Hα-helixtrans-68.1-36.5178.1-171.6175.7-178.2179.90112.5V36 A37 K44V36-K40 WeakPolarHBondContact O-CB 3.32Å; V36-K40 PolarHBondContact O-N 2.91Å; A37-K40 PolarHBondContact O-N 3.43Å; K40-K44 WeakPolarHBondContact O-CB 3.27Å; K40-K44 PolarHBondContact O-N 2.89Å
41T84.3Confident74.7Confident95 Ų95114.7 Ų114.758%0.58363%0.63SS**Hα-helixtrans-72.7-40.5172.654.50000111.6A37 S38 L43 K44 G45A37-T41 WeakPolarHBondContact O-CG2 3.39Å; A37-T41 PolarHBondContact O-N 2.91Å; A37-T41 PolarHBondContact O-OG1 3.25Å; S38-T41 PolarHBondContact O-OG1 3.4Å; S38-T41 VanDerWaalsContact O-OG1 3.11Å; T41-L43 VanDerWaalsContact C-N 3.27Å; T41-L43 PolarHBondContact O-N 3.39Å; T41-K44 CarbonylContact O-C 3.58Å; T41-K44 PolarHBondContact O-N 3.28Å; T41-G45 PolarHBondContact O-N 3.44Å
42A80Confident72Confident77 Ų77116.3 Ų116.364%0.63664%0.638SS**Hα-helixtrans-60.8-33174.400000113.3S38 F39S38-A42 VanDerWaalsContact O-CB 3.23Å; S38-A42 WeakPolarHBondContact O-CB 3.09Å; S38-A42 PolarHBondContact O-N 3.13Å; F39-A42 PolarHBondContact O-N 3.09Å
43L79Confident69.1Low133 Ų133117.4 Ų117.470%0.69665%0.646SS**THydrogen-bonded Turntrans-81.7-7.9172-71.9-177.8000114.6F39 T41F39-L43 HydrophobicContact CD1-CD1 3.93Å; F39-L43 HydrophobicContact CE1-CD1 3.41Å; F39-L43 VanDerWaalsContact CE1-CD1 3.41Å; F39-L43 HydrophobicContact CE1-CG 4.28Å; F39-L43 HydrophobicContact CE2-CD1 4.4Å; F39-L43 HydrophobicContact CZ-CD1 3.69Å; F39-L43 HydrophobicContact CZ-CG 4.25Å; F39-L43 WeakPolarHBondContact O-CB 3.39Å; F39-L43 WeakPolarHBondContact O-CG 3.21Å; F39-L43 PolarHBondContact O-N 3.45Å; T41-L43 VanDerWaalsContact C-N 3.27Å; T41-L43 PolarHBondContact O-N 3.39Å
44K79Confident66.1Low178 Ų178121.5 Ų121.577%0.77466%0.66SS**THydrogen-bonded Turntrans-110-23-176.6-167.762.6170.8172.20113K40 T41 E46K40-K44 WeakPolarHBondContact O-CB 3.27Å; K40-K44 PolarHBondContact O-N 2.89Å; T41-K44 CarbonylContact O-C 3.58Å; T41-K44 PolarHBondContact O-N 3.28Å; K44-E46 PolarHBondContact O-N 3.44Å
45G57.8Low63.1Low63 Ų63120 Ų12065%0.64966%0.659SS**  trans-87.758.4-175.700000115.1T41T41-G45 PolarHBondContact O-N 3.44Å
46E57.8Low60.4Low197 Ų197125.7 Ų125.792%0.92168%0.677SS**  trans-118.452.8156.1-163.1177.7-169.300109.4K44K44-E46 PolarHBondContact O-N 3.44Å
47D53.2Low58Low146 Ų146128.1 Ų128.178%0.78169%0.694SS**SBendtrans-153.5145.1158.2-151.4-6.1000110.6
48E40.7Very low55.3Low164 Ų164128.5 Ų128.577%0.76670%0.703SS**  trans54.5157.6-174-77.6-56.4154.700120.2
49S41.8Very low52.9Low87 Ų87135.4 Ų135.461%0.60873%0.725SS**  trans-147.2173.5-141.770.30000118.8
50H36.4Very low50.9Low185 Ų185138.9 Ų138.986%0.85674%0.739SS**  trans107.8127.4173.8-75.4-99.4000116.5
51A30.9Very low49.1Very low76 Ų76143.3 Ų143.363%0.62875%0.752SS**  cis-158.1143.7-3.600000114.5
52S39Very low47.4Very low91 Ų91148.5 Ų148.564%0.63677%0.766SS**  trans59.6145.4155.7-630000119.4
53K37Very low45.5Very low184 Ų184151.9 Ų151.980%0.877%0.774SS**  cis-169.2150.8-8.9-91.1154.1-168.9121.10102.7
54K32.1Very low44.1Very low182 Ų182151.7 Ų151.779%0.79177%0.773SS**  cis-160.5173.62.2-123.8178.9157.7-162.70105
55N32Very low42.5Very low131 Ų131152 Ų15270%0.70178%0.775SS**  cis-146.1-166.420.2-97.8-43.5000109.7
56Q36.7Very low41.8Very low172 Ų172157.3 Ų157.380%0.80478%0.78SS**  trans-128.8-179.3169.2-80.6-93.57.500107.8
57P44.8Very low40.9Very low116 Ų116154.1 Ų154.175%0.75377%0.769SS**  cis-136.51454.736.5-16.6000118.4
58G35.2Very low40.7Very low61 Ų61154.5 Ų154.563%0.62977%0.766SS**  61138.1123.500000124.1
59K39.3Very low40.8Very low214 Ų214151.9 Ų151.993%0.9377%0.766SS**  -162.9134.8119.4-106160.5-170.5173.40112.4
60K44.3Very low41.4Very low209 Ų209158 Ų15891%0.90978%0.776SS**  trans-73.4128.9176.1-65.3176.4178.3175.60110.8
61R50Low41.9Very low248 Ų248157.2 Ų157.294%0.93677%0.77SS**  trans-133.3101150.3-77.9-16671.6149.9-0.7110.8
62K47.4Very low42.8Very low204 Ų204164.9 Ų164.989%0.88778%0.783SS**  trans-65.5126.9167.1177.1-178.7-178.2178.50108.9
63N41.1Very low42.7Very low149 Ų149165.1 Ų165.180%0.79778%0.781SS**  trans-142.3134.5150.6-1608000110.1
64N48.6Very low43.4Very low128 Ų128164 Ų16468%0.68478%0.783SS**  trans-108.4105.9-179.3178.55.4000108
65K45.3Very low44.2Very low186 Ų186158.3 Ų158.381%0.80977%0.77SS**  trans-126.572.8174.7-162.874.3-177.1-178.40110.5N67K65-N67 PolarHBondContact O-N 2.9Å
66K44.2Very low45.3Very low174 Ų174156.9 Ų156.976%0.75777%0.768SS**  trans-58.2124171.9-170.5-179.7-173.2-177.30110.7
67N39.1Very low46.1Very low129 Ų129152.6 Ų152.669%0.6976%0.755SS**  trans63.3155.3168.2-60.26000116.4K65K65-N67 PolarHBondContact O-N 2.9Å
68Q47.9Very low46.8Very low155 Ų155155.1 Ų155.172%0.72476%0.762SS**  cis-111.4131.12.2-67.3172.8-26.500111.3R70Q68-R70 PolarHBondContact O-N 2.8Å
69S44Very low48.5Very low108 Ų108156.1 Ų156.176%0.75575%0.749SS**  trans-68.4115.2140.3174.40000106K71S69-K71 PolarHBondContact O-N 2.96Å
70R54.7Low50.8Low215 Ų215153.5 Ų153.581%0.81174%0.74SS**  trans-7379.3160.7-77.4-173.2177.5-178.5-3.1106.9Q68 R72Q68-R70 PolarHBondContact O-N 2.8Å; R70-R72 PolarHBondContact O-N 3.38Å
71K45.3Very low53.1Low170 Ų170145.2 Ų145.274%0.73970%0.703SS**  trans-48.9112.1160.7-165.8-179.3-171.8-171.80105S69 T73S69-K71 PolarHBondContact O-N 2.96Å; K71-T73 PolarHBondContact O-N 2.89Å
72R49.7Very low55.1Low236 Ų236139.4 Ų139.489%0.89169%0.687SS**  trans-65.589.7168.8-99.6-174.2162.4-173.3-6.7105.7R70 N74R70-R72 PolarHBondContact O-N 3.38Å; R72-N74 PolarHBondContact O-N 2.91Å
73T38.5Very low57.4Low97 Ų97134.2 Ų134.260%0.59567%0.672SS**  trans-65114.4160.542.60000105.7K71 A75K71-T73 PolarHBondContact O-N 2.89Å; T73-A75 PolarHBondContact O-N 3.38Å
74N51.8Low59.9Low160 Ų160129.4 Ų129.486%0.85666%0.658SS**  trans-74.646.9154.5-63-3.9000108.6R72R72-N74 PolarHBondContact O-N 2.91Å
75A48.8Very low62.1Low62 Ų62125.1 Ų125.151%0.51264%0.635SS.*PPolyproline II helixtrans-78.4133.7147.300000104T73T73-A75 PolarHBondContact O-N 3.38Å
76P55Low64.4Low102 Ų102119.3 Ų119.366%0.66262%0.618SS**PPolyproline II helixtrans-56.9155.7168.429.1-35.3000108.6
77P53.1Low66.8Low81 Ų81111 Ų11153%0.52658%0.582SS.*PPolyproline II helixtrans-55.1147.3154.529.2-33.5000107.8K79 L132P77-K79 HydrophobicContact CB-CB 4.4Å; P77-K79 HydrophobicContact CG-CB 4.09Å; P77-K79 PolarHBondContact O-N 2.98Å; P77-L132 HydrophobicContact CG-CD1 3.88Å
78D60.3Low69.5Low170 Ų170105.6 Ų105.691%0.90955%0.554SS**  trans-70.360.4169.7-54.1-64.7000109.6E80D78-E80 PolarHBondContact O-N 2.88Å
79K70.4Confident71.7Confident81 Ų8198.3 Ų98.335%0.35252%0.52SS..  trans-91.290.9179.8-168.7-153.5-179.4-142.50107P77 W81 D85 L132P77-K79 HydrophobicContact CB-CB 4.4Å; P77-K79 HydrophobicContact CG-CB 4.09Å; P77-K79 PolarHBondContact O-N 2.98Å; K79-W81 PolarHBondContact O-N 2.93Å; K79-D85 IonicContact NZ-OD1 2.74Å; K79-D85 PolarHBondContact NZ-OD1 2.96Å; K79-D85 IonicContact NZ-OD2 3.14Å; K79-D85 PolarHBondContact NZ-OD2 3.31Å; K79-L132 HydrophobicContact CD-CD2 3.73Å
80E87.1Confident74.1Confident160 Ų16099.1 Ų99.175%0.74851%0.508SS*.  trans-49.6109.4165.2-63.3171.9-18000108.8D78 Q82D78-E80 PolarHBondContact O-N 2.88Å; E80-Q82 WeakPolarHBondContact O-CG 3.34Å
81W92.4Very high76Confident35 Ų3591.2 Ų91.213%0.13348%0.478CS..  trans-58.7142.5177.8-74.5117.3000111.1K79 D85 C87 I102 I105 L127 L130 L132K79-W81 PolarHBondContact O-N 2.93Å; W81-D85 HydrophobicContact CE3-CB 3.81Å; W81-D85 HydrophobicContact CZ3-CB 4.02Å; W81-C87 HydrophobicContact CH2-CB 3.55Å; W81-C87 HydrophobicContact CZ2-CB 4.39Å; W81-C87 HydrophobicContact CZ3-CB 3.74Å; W81-I102 HydrophobicContact CB-CD1 3.79Å; W81-I102 HydrophobicContact CD2-CD1 3.8Å; W81-I102 HydrophobicContact CE3-CD1 3.52Å; W81-I102 HydrophobicContact CG-CD1 3.96Å; W81-I102 HydrophobicContact CZ3-CD1 4.21Å; W81-I105 HydrophobicContact CB-CD1 4.15Å; W81-I105 WeakPolarHBondContact O-CD1 3.32Å; W81-L127 HydrophobicContact CB-CD2 3.92Å; W81-L127 HydrophobicContact CG-CD2 4.19Å; W81-L127 PolarHBondContact NE1-O 3.25Å; W81-L130 HydrophobicContact CD2-CD1 4.09Å; W81-L130 HydrophobicContact CG-CD1 4.31Å; W81-L130 HydrophobicContact CH2-CB 4.31Å; W81-L130 HydrophobicContact CZ2-CB 3.5Å; W81-L130 HydrophobicContact CZ2-CD1 4.23Å; W81-L132 HydrophobicContact CH2-CD2 3.67Å; W81-L132 HydrophobicContact CH2-CG 4.2Å; W81-L132 HydrophobicContact CZ2-CD2 4.15Å; W81-L132 HydrophobicContact CZ2-CG 4.38Å; W81-L132 HydrophobicContact CZ3-CD2 4.03Å
82Q92.6Very high78.3Confident125 Ų12587.6 Ų87.658%0.58447%0.474SS*.  trans-126.3151.7-179.4-55.1-168.95.500111.5E80 G84 D85E80-Q82 WeakPolarHBondContact O-CG 3.34Å; Q82-G84 PolarHBondContact O-N 2.83Å; Q82-D85 PolarHBondContact N-OD2 2.88Å; Q82-D85 VanDerWaalsContact O-CB 3.28Å; Q82-D85 WeakPolarHBondContact O-CB 3.45Å; Q82-D85 PolarHBondContact O-N 2.93Å
83V95.2Very high80.3Confident95 Ų9583.8 Ų83.858%0.57647%0.466SS*.THydrogen-bonded Turntrans-61.2127.2173.4174.20000109.1S103 I105V83-S103 VanDerWaalsContact CG1-O 3.26Å; V83-S103 WeakPolarHBondContact CG1-O 3.45Å; V83-I105 HydrophobicContact CG2-CD1 4.32Å; V83-I105 HydrophobicContact CG2-CG1 4.02Å
84G93.9Very high82.9Confident49 Ų4982.7 Ų82.751%0.50546%0.457SS..THydrogen-bonded Turntrans92.6-2.4-171.400000115.3Q82 I102Q82-G84 PolarHBondContact O-N 2.83Å; G84-I102 PolarHBondContact N-O 3.31Å
85D94.1Very high84.8Confident37 Ų3777 Ų7720%0.19844%0.436CS..  trans-66.2138.6168.6-92.8-39.5000111.4K79 W81 Q82 T101 I102K79-D85 IonicContact NZ-OD1 2.74Å; K79-D85 PolarHBondContact NZ-OD1 2.96Å; K79-D85 IonicContact NZ-OD2 3.14Å; K79-D85 PolarHBondContact NZ-OD2 3.31Å; W81-D85 HydrophobicContact CE3-CB 3.81Å; W81-D85 HydrophobicContact CZ3-CB 4.02Å; Q82-D85 PolarHBondContact N-OD2 2.88Å; Q82-D85 VanDerWaalsContact O-CB 3.28Å; Q82-D85 WeakPolarHBondContact O-CB 3.45Å; Q82-D85 PolarHBondContact O-N 2.93Å; D85-T101 WeakPolarHBondContact O-CA 3.27Å; D85-I102 HydrophobicContact CB-CD1 4.07Å; D85-I102 HydrophobicContact CB-CG1 4.45Å; D85-I102 PolarHBondContact O-N 3.18Å
86S95Very high86.8Confident65 Ų6579.8 Ų79.846%0.45544%0.438SS..EExtended strand (participates in β ladder)trans-80.9134.6167-45.30000110.3E133S86-E133 VanDerWaalsContact CB-OE2 3.27Å; S86-E133 WeakPolarHBondContact CB-OE2 3.32Å
87C94.3Very high88.6Confident0 Ų078.3 Ų78.30%042%0.424CS..EExtended strand (participates in β ladder)trans-145.8174.5-174.166.10000110.3W81 A100 L130 M131W81-C87 HydrophobicContact CH2-CB 3.55Å; W81-C87 HydrophobicContact CZ2-CB 4.39Å; W81-C87 HydrophobicContact CZ3-CB 3.74Å; C87-A100 PolarHBondContact N-O 3.22Å; C87-A100 PolarHBondContact O-N 3.42Å; C87-A100 VanDerWaalsContact O-O 3.05Å; C87-A100 PolarHBondContact SG-O 3.06Å; C87-L130 HydrophobicContact CB-CD1 4.36Å; C87-M131 CarbonylContact C-O 3.55Å; C87-M131 WeakPolarHBondContact CA-O 3.23Å
88S94.8Very high90.6Very high15 Ų1577.4 Ų77.411%0.10541%0.411CS..EExtended strand (participates in β ladder)trans-127.4131.7168-46.30000109.3Y98 M131S88-Y98 CarbonylContact C-O 3.53Å; S88-Y98 VanDerWaalsContact CA-O 3.27Å; S88-Y98 WeakPolarHBondContact CA-O 3.5Å; S88-M131 PolarHBondContact N-O 2.95Å; S88-M131 WeakPolarHBondContact O-CB 3.48Å; S88-M131 PolarHBondContact O-N 3.44Å
89A95Very high92.2Very high1 Ų170.9 Ų70.91%0.00838%0.38CS..EExtended strand (participates in β ladder)trans-132.4151.4-174.400000110.4Y98 V114 Y116 Q125 L130A89-Y98 PolarHBondContact N-O 3.17Å; A89-Y98 PolarHBondContact O-N 3.12Å; A89-V114 HydrophobicContact CB-CG2 4.2Å; A89-Y116 HydrophobicContact CB-CE1 4.1Å; A89-Q125 HydrophobicContact CB-CG 4.23Å; A89-L130 HydrophobicContact CB-CD2 3.96Å
90Y95.1Very high93.4Very high126 Ų12667 Ų6749%0.49436%0.364SS..EExtended strand (participates in β ladder)trans-77.2128.5173.5-71.8-78.3000110.1G95 Q96 L97 Y116 Q125Y90-G95 WeakPolarHBondContact CD1-O 3.22Å; Y90-Q96 CarbonylContact C-O 3.59Å; Y90-Q96 WeakPolarHBondContact CA-O 3.45Å; Y90-L97 HydrophobicContact CD1-CB 4.25Å; Y90-L97 HydrophobicContact CD1-CD1 4.2Å; Y90-L97 HydrophobicContact CD2-CD1 3.94Å; Y90-L97 HydrophobicContact CE1-CB 4.05Å; Y90-L97 HydrophobicContact CE1-CD1 4.08Å; Y90-L97 HydrophobicContact CE2-CD1 3.8Å; Y90-L97 HydrophobicContact CG-CD1 4.14Å; Y90-Y116 PolarHBondContact O-OH 3.04Å; Y90-Q125 PolarHBondContact O-NE2 3.13Å
91W94.7Very high93.9Very high49 Ų4961.8 Ų61.819%0.18634%0.343CS..  trans-85.5135.7175-176.336.1000110.3E93 G95 Q96 Y98 Y116W91-E93 VanDerWaalsContact C-N 3.34Å; W91-E93 HydrophobicContact CD2-CB 4.01Å; W91-E93 HydrophobicContact CE3-CB 4.23Å; W91-E93 HydrophobicContact CH2-CB 3.82Å; W91-E93 HydrophobicContact CH2-CG 4.23Å; W91-E93 HydrophobicContact CZ2-CB 3.57Å; W91-E93 HydrophobicContact CZ2-CG 4.24Å; W91-E93 VanDerWaalsContact CZ2-OE2 3.22Å; W91-E93 WeakPolarHBondContact CZ2-OE2 3.38Å; W91-E93 HydrophobicContact CZ3-CB 4.15Å; W91-E93 PolarHBondContact O-N 2.95Å; W91-G95 VanDerWaalsContact O-CA 3.3Å; W91-G95 WeakPolarHBondContact O-CA 3.3Å; W91-G95 PolarHBondContact O-N 2.87Å; W91-Q96 PolarHBondContact N-O 3.29Å; W91-Y98 HydrophobicContact CB-CD2 3.76Å; W91-Y98 HydrophobicContact CB-CE2 4.16Å; W91-Y98 HydrophobicContact CE3-CD2 4.45Å; W91-Y98 AromaticContact CE3-CE2 3.87Å; W91-Y98 HydrophobicContact CE3-CE2 3.87Å; W91-Y116 HydrophobicContact CB-CE1 4.27Å; W91-Y116 AromaticContact CD1-CE2 3.86Å; W91-Y116 HydrophobicContact CG-CE2 4.42Å
92S93.1Very high94Very high93 Ų9360.2 Ų60.265%0.6534%0.337SS*.THydrogen-bonded Turntrans-75.6-12.8-172.459.20000116E123S92-E123 WeakPolarHBondContact CB-OE1 3.43Å; S92-E123 PolarHBondContact N-OE2 3.08Å; S92-E123 PolarHBondContact OG-OE1 3.34Å
93E92.1Very high94.2Very high157 Ų15756.9 Ų56.973%0.73433%0.327SS*.THydrogen-bonded Turntrans-77.7-33.3-179.8-164.8169.2151.200112.7W91W91-E93 VanDerWaalsContact C-N 3.34Å; W91-E93 HydrophobicContact CD2-CB 4.01Å; W91-E93 HydrophobicContact CE3-CB 4.23Å; W91-E93 HydrophobicContact CH2-CB 3.82Å; W91-E93 HydrophobicContact CH2-CG 4.23Å; W91-E93 HydrophobicContact CZ2-CB 3.57Å; W91-E93 HydrophobicContact CZ2-CG 4.24Å; W91-E93 VanDerWaalsContact CZ2-OE2 3.22Å; W91-E93 WeakPolarHBondContact CZ2-OE2 3.38Å; W91-E93 HydrophobicContact CZ3-CB 4.15Å; W91-E93 PolarHBondContact O-N 2.95Å
94D92.9Very high94.2Very high74 Ų7454.6 Ų54.640%0.39632%0.316SS..THydrogen-bonded Turntrans-126.7-16.1-178.163.29.5000115.1Q96 Y98D94-Q96 VanDerWaalsContact C-N 3.32Å; D94-Q96 WeakPolarHBondContact OD1-CB 3.21Å; D94-Q96 PolarHBondContact OD1-N 3.04Å; D94-Y98 PolarHBondContact OD2-OH 3.3Å
95G90.3Very high94.2Very high41 Ų4154 Ų5442%0.42330%0.301SS..  trans75.117.5-175.400000114.1Y90 W91Y90-G95 WeakPolarHBondContact CD1-O 3.22Å; W91-G95 VanDerWaalsContact O-CA 3.3Å; W91-G95 WeakPolarHBondContact O-CA 3.3Å; W91-G95 PolarHBondContact O-N 2.87Å
96Q91.3Very high94.2Very high120 Ų12055.8 Ų55.856%0.56131%0.31SS*.  trans-91.5153.4177.3-129.268.591.900111.9Y90 W91 D94 Y98Y90-Q96 CarbonylContact C-O 3.59Å; Y90-Q96 WeakPolarHBondContact CA-O 3.45Å; W91-Q96 PolarHBondContact N-O 3.29Å; D94-Q96 VanDerWaalsContact C-N 3.32Å; D94-Q96 WeakPolarHBondContact OD1-CB 3.21Å; D94-Q96 PolarHBondContact OD1-N 3.04Å; Q96-Y98 HydrophobicContact CB-CD2 4.32Å; Q96-Y98 HydrophobicContact CB-CE2 3.67Å; Q96-Y98 WeakPolarHBondContact O-CD2 3.37Å
97L93.4Very high94Very high71 Ų7160.3 Ų60.337%0.37232%0.324SS..EExtended strand (participates in β ladder)trans-87.6121.9-179.4-168.886.6000109.9Y90 M131Y90-L97 HydrophobicContact CD1-CB 4.25Å; Y90-L97 HydrophobicContact CD1-CD1 4.2Å; Y90-L97 HydrophobicContact CD2-CD1 3.94Å; Y90-L97 HydrophobicContact CE1-CB 4.05Å; Y90-L97 HydrophobicContact CE1-CD1 4.08Å; Y90-L97 HydrophobicContact CE2-CD1 3.8Å; Y90-L97 HydrophobicContact CG-CD1 4.14Å; L97-M131 HydrophobicContact CD1-CG 4.27Å; L97-M131 HydrophobicContact CD1-SD 3.88Å; L97-M131 HydrophobicContact CD2-SD 4Å
98Y94.6Very high93.7Very high61 Ų6169.3 Ų69.324%0.23937%0.366CS..EExtended strand (participates in β ladder)trans-120.9147-179.4-74.8-84.9000112S88 A89 W91 D94 Q96 Y116 Y119S88-Y98 CarbonylContact C-O 3.53Å; S88-Y98 VanDerWaalsContact CA-O 3.27Å; S88-Y98 WeakPolarHBondContact CA-O 3.5Å; A89-Y98 PolarHBondContact N-O 3.17Å; A89-Y98 PolarHBondContact O-N 3.12Å; W91-Y98 HydrophobicContact CB-CD2 3.76Å; W91-Y98 HydrophobicContact CB-CE2 4.16Å; W91-Y98 HydrophobicContact CE3-CD2 4.45Å; W91-Y98 AromaticContact CE3-CE2 3.87Å; W91-Y98 HydrophobicContact CE3-CE2 3.87Å; D94-Y98 PolarHBondContact OD2-OH 3.3Å; Q96-Y98 HydrophobicContact CB-CD2 4.32Å; Q96-Y98 HydrophobicContact CB-CE2 3.67Å; Q96-Y98 WeakPolarHBondContact O-CD2 3.37Å; Y98-Y116 HydrophobicContact CG-CD1 4.49Å; Y98-Y119 HydrophobicContact CD1-CE2 4.01Å; Y98-Y119 AromaticContact CE1-CE2 3.9Å; Y98-Y119 HydrophobicContact CE1-CE2 3.9Å
99A94.9Very high93.4Very high33 Ų3375.3 Ų75.327%0.27339%0.387SS..EExtended strand (participates in β ladder)trans-66.8134.4170.500000110.4T117 E133A99-T117 WeakPolarHBondContact O-CB 3.15Å; A99-T117 PolarHBondContact O-N 3.38Å; A99-T117 PolarHBondContact O-OG1 2.99Å; A99-E133 VanDerWaalsContact CB-OE1 3.3Å; A99-E133 WeakPolarHBondContact CB-OE1 3.32Å
100A95.6Very high93.2Very high0 Ų076.5 Ų76.50%040%0.399CS..EExtended strand (participates in β ladder)trans-149.2160.4-175.800000112C87 V114 V115 Y116C87-A100 PolarHBondContact N-O 3.22Å; C87-A100 PolarHBondContact O-N 3.42Å; C87-A100 VanDerWaalsContact O-O 3.05Å; C87-A100 PolarHBondContact SG-O 3.06Å; A100-V114 HydrophobicContact CB-CB 3.98Å; A100-V114 HydrophobicContact CB-CG2 4.24Å; A100-V115 CarbonylContact C-O 3.58Å; A100-V115 WeakPolarHBondContact CA-O 3.49Å; A100-V115 WeakPolarHBondContact CB-O 3.49Å; A100-Y116 HydrophobicContact CB-CD1 3.91Å; A100-Y116 HydrophobicContact CB-CE1 4.27Å; A100-Y116 HydrophobicContact CB-CG 4.49Å
101T96.1Very high93.2Very high51 Ų5171.4 Ų71.431%0.31338%0.381SS..EExtended strand (participates in β ladder)trans-116.2136174.8-54.50000110.4D85 S103 V114 V115D85-T101 WeakPolarHBondContact O-CA 3.27Å; T101-S103 PolarHBondContact O-N 3.3Å; T101-V114 WeakPolarHBondContact O-CA 3.42Å; T101-V115 PolarHBondContact N-O 3.36Å; T101-V115 PolarHBondContact O-N 3.36Å
102I96.1Very high93.2Very high1 Ų169.2 Ų69.21%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-71.5118.3178.6-54.6-178.7000109.9W81 G84 D85 I105 C112 V114 L130W81-I102 HydrophobicContact CB-CD1 3.79Å; W81-I102 HydrophobicContact CD2-CD1 3.8Å; W81-I102 HydrophobicContact CE3-CD1 3.52Å; W81-I102 HydrophobicContact CG-CD1 3.96Å; W81-I102 HydrophobicContact CZ3-CD1 4.21Å; G84-I102 PolarHBondContact N-O 3.31Å; D85-I102 HydrophobicContact CB-CD1 4.07Å; D85-I102 HydrophobicContact CB-CG1 4.45Å; D85-I102 PolarHBondContact O-N 3.18Å; I102-I105 HydrophobicContact CG2-CD1 3.92Å; I102-I105 HydrophobicContact CG2-CG1 3.54Å; I102-C112 HydrophobicContact CG2-CB 4.14Å; I102-V114 HydrophobicContact CG1-CG1 4.32Å; I102-L130 HydrophobicContact CD1-CD1 3.47Å; I102-L130 VanDerWaalsContact CD1-CD1 3.47Å; I102-L130 HydrophobicContact CG1-CD1 3.95Å
103S95.9Very high93.4Very high55 Ų5566.4 Ų66.439%0.38535%0.352SS..EExtended strand (participates in β ladder)trans-92-38-179-171.70000112.5V83 T101 V113V83-S103 VanDerWaalsContact CG1-O 3.26Å; V83-S103 WeakPolarHBondContact CG1-O 3.45Å; T101-S103 PolarHBondContact O-N 3.3Å; S103-V113 WeakPolarHBondContact CB-O 3.17Å; S103-V113 PolarHBondContact N-O 3.45Å
104S95.1Very high93.6Very high48 Ų4859 Ų5934%0.33632%0.317SS..EExtended strand (participates in β ladder)trans-151159.9175.9720000111.7C112 V113S104-C112 CarbonylContact O-C 3.54Å; S104-C112 WeakPolarHBondContact O-CA 3.45Å; S104-C112 VanDerWaalsContact O-CB 3.22Å; S104-C112 WeakPolarHBondContact O-CB 3.18Å; S104-V113 PolarHBondContact N-O 3Å; S104-V113 PolarHBondContact O-N 2.85Å; S104-V113 WeakPolarHBondContact OG-CB 3.45Å; S104-V113 WeakPolarHBondContact OG-CG2 3.3Å
105I94.9Very high93.8Very high36 Ų3657.3 Ų57.319%0.18531%0.31CS..EExtended strand (participates in β ladder)trans-136.4119.6-179.1-59.7-179.3000110.5W81 V83 I102 Q107 C112 L127W81-I105 HydrophobicContact CB-CD1 4.15Å; W81-I105 WeakPolarHBondContact O-CD1 3.32Å; V83-I105 HydrophobicContact CG2-CD1 4.32Å; V83-I105 HydrophobicContact CG2-CG1 4.02Å; I102-I105 HydrophobicContact CG2-CD1 3.92Å; I102-I105 HydrophobicContact CG2-CG1 3.54Å; I105-Q107 HydrophobicContact CG2-CG 3.89Å; I105-Q107 PolarHBondContact O-N 2.69Å; I105-C112 HydrophobicContact CG1-CB 4.15Å; I105-L127 HydrophobicContact CD1-CD2 4.47Å; I105-L127 HydrophobicContact CG1-CD2 4.48Å; I105-L127 HydrophobicContact CG2-CD1 3.86Å; I105-L127 HydrophobicContact CG2-CD2 4.09Å
106D93.7Very high94Very high75 Ų7555.6 Ų55.640%0.40129%0.29SS..EExtended strand (participates in β ladder)trans-94.778.9172.5-86.2-23.3000110.2Q108 R109 G110 T111D106-Q108 PolarHBondContact O-N 2.71Å; D106-R109 HydrophobicContact CB-CB 4.13Å; D106-R109 HydrophobicContact CB-CG 4.43Å; D106-R109 PolarHBondContact O-N 2.9Å; D106-R109 IonicContact OD2-NH1 3.51Å; D106-G110 PolarHBondContact O-N 3.34Å; D106-T111 WeakPolarHBondContact CA-O 3.32Å; D106-T111 PolarHBondContact N-O 3.36Å
107Q89.4Confident94.2Very high159 Ų15953.8 Ų53.874%0.74329%0.287SS*.THydrogen-bonded Turntrans-56.2-20177.3-67.4-174.9-18.300114I105I105-Q107 HydrophobicContact CG2-CG 3.89Å; I105-Q107 PolarHBondContact O-N 2.69Å
108Q89.7Confident94Very high189 Ų18954.4 Ų54.488%0.88331%0.311SS*.THydrogen-bonded Turntrans-76.4-20.4175.1-61.4-62-51.100113.6D106D106-Q108 PolarHBondContact O-N 2.71Å
109R88.8Confident93.8Very high142 Ų14258.3 Ų58.354%0.53633%0.326SS..THydrogen-bonded Turntrans-113.3-18.3-177-67177.562.3-147.4-5.4113.4D106 T111 E124D106-R109 HydrophobicContact CB-CB 4.13Å; D106-R109 HydrophobicContact CB-CG 4.43Å; D106-R109 PolarHBondContact O-N 2.9Å; D106-R109 IonicContact OD2-NH1 3.51Å; R109-T111 VanDerWaalsContact C-N 3.27Å; R109-T111 HydrophobicContact CB-CG2 4.41Å; R109-T111 WeakPolarHBondContact CB-OG1 3.44Å; R109-E124 IonicContact CZ-OE1 3.46Å; R109-E124 IonicContact CZ-OE2 3.49Å; R109-E124 IonicContact NH1-OE1 3.47Å; R109-E124 PolarHBondContact NH1-OE1 2.86Å; R109-E124 IonicContact NH1-OE2 2.69Å; R109-E124 PolarHBondContact NH1-OE2 3.4Å; R109-E124 IonicContact NH2-OE1 2.66Å; R109-E124 PolarHBondContact NH2-OE1 2.99Å; R109-E124 IonicContact NH2-OE2 3.43Å; R109-E124 PolarHBondContact NH2-OE2 3.39Å
110G90Very high93.6Very high25 Ų2559 Ų5926%0.25834%0.337SS..THydrogen-bonded Turntrans80.37.9-169.500000113.4D106 N126 L127D106-G110 PolarHBondContact O-N 3.34Å; G110-N126 PolarHBondContact O-OD1 2.91Å; G110-N126 VanDerWaalsContact O-OD1 3.11Å; G110-L127 VanDerWaalsContact O-CB 3.3Å; G110-L127 WeakPolarHBondContact O-CB 3.11Å; G110-L127 VanDerWaalsContact O-CG 3.24Å; G110-L127 WeakPolarHBondContact O-CG 3.34Å; G110-L127 PolarHBondContact O-N 2.88Å
111T94.2Very high93.6Very high20 Ų2062.3 Ų62.312%0.12336%0.355CS..EExtended strand (participates in β ladder)trans-105.7164.2-176.353.60000112.3D106 R109 E124 Q125D106-T111 WeakPolarHBondContact CA-O 3.32Å; D106-T111 PolarHBondContact N-O 3.36Å; R109-T111 VanDerWaalsContact C-N 3.27Å; R109-T111 HydrophobicContact CB-CG2 4.41Å; R109-T111 WeakPolarHBondContact CB-OG1 3.44Å; T111-E124 HydrophobicContact CG2-CG 4.35Å; T111-Q125 CarbonylContact C-O 3.5Å; T111-Q125 VanDerWaalsContact CA-O 3.29Å; T111-Q125 WeakPolarHBondContact CA-O 3.49Å
112C95.2Very high93.5Very high2 Ų266.2 Ų66.21%0.01437%0.37CS..EExtended strand (participates in β ladder)trans-146156.6176.861.10000109.7I102 S104 I105 E124 Q125 L127I102-C112 HydrophobicContact CG2-CB 4.14Å; S104-C112 CarbonylContact O-C 3.54Å; S104-C112 WeakPolarHBondContact O-CA 3.45Å; S104-C112 VanDerWaalsContact O-CB 3.22Å; S104-C112 WeakPolarHBondContact O-CB 3.18Å; I105-C112 HydrophobicContact CG1-CB 4.15Å; C112-E124 CarbonylContact O-C 3.59Å; C112-E124 WeakPolarHBondContact O-CA 3.45Å; C112-Q125 PolarHBondContact N-O 2.94Å; C112-Q125 PolarHBondContact O-N 3.4Å; C112-Q125 PolarHBondContact SG-O 2.93Å; C112-Q125 VanDerWaalsContact SG-O 3.33Å; C112-L127 HydrophobicContact CB-CD2 3.7Å; C112-L127 HydrophobicContact CB-CG 4.3Å
113V96.4Very high93.4Very high35 Ų3568.1 Ų68.121%0.21238%0.379CS..EExtended strand (participates in β ladder)trans-99.8125.9167.8-178.40000108.1S103 S104 E122 E123S103-V113 WeakPolarHBondContact CB-O 3.17Å; S103-V113 PolarHBondContact N-O 3.45Å; S104-V113 PolarHBondContact N-O 3Å; S104-V113 PolarHBondContact O-N 2.85Å; S104-V113 WeakPolarHBondContact OG-CB 3.45Å; S104-V113 WeakPolarHBondContact OG-CG2 3.3Å; V113-E122 HydrophobicContact CG1-CB 4.01Å; V113-E123 WeakPolarHBondContact CA-O 3.46Å
114V96.4Very high93.4Very high0 Ų070.4 Ų70.40%038%0.383CS..EExtended strand (participates in β ladder)trans-108143.6175.1-59.80000110.9A89 A100 T101 I102 Y116 E122 E123 Q125 L130A89-V114 HydrophobicContact CB-CG2 4.2Å; A100-V114 HydrophobicContact CB-CB 3.98Å; A100-V114 HydrophobicContact CB-CG2 4.24Å; T101-V114 WeakPolarHBondContact O-CA 3.42Å; I102-V114 HydrophobicContact CG1-CG1 4.32Å; V114-Y116 HydrophobicContact CG2-CE2 4.24Å; V114-E122 WeakPolarHBondContact O-CA 3.25Å; V114-E123 PolarHBondContact N-O 2.97Å; V114-E123 PolarHBondContact O-N 2.97Å; V114-Q125 HydrophobicContact CG1-CB 4.49Å; V114-Q125 HydrophobicContact CG2-CB 4.41Å; V114-Q125 HydrophobicContact CG2-CG 3.68Å; V114-L130 HydrophobicContact CG1-CD1 4.47Å; V114-L130 HydrophobicContact CG1-CD2 3.86Å
115V97.3Very high93.4Very high40 Ų4069.7 Ų69.724%0.24237%0.374CS..EExtended strand (participates in β ladder)trans-104.8118.2173.2177.30000108.2A100 T101 T117 N121 E122A100-V115 CarbonylContact C-O 3.58Å; A100-V115 WeakPolarHBondContact CA-O 3.49Å; A100-V115 WeakPolarHBondContact CB-O 3.49Å; T101-V115 PolarHBondContact N-O 3.36Å; T101-V115 PolarHBondContact O-N 3.36Å; V115-T117 PolarHBondContact O-N 3.27Å; V115-N121 WeakPolarHBondContact CA-O 3.3Å; V115-E122 HydrophobicContact CG2-CG 3.87Å
116Y96Very high93.4Very high4 Ų470.5 Ų70.52%0.01638%0.379CS..EExtended strand (participates in β ladder)trans-72.1124.2-179.6-69.7-76.3000112.1A89 Y90 W91 Y98 A100 V114 G118 Y119 G120 N121 E123 Q125A89-Y116 HydrophobicContact CB-CE1 4.1Å; Y90-Y116 PolarHBondContact O-OH 3.04Å; W91-Y116 HydrophobicContact CB-CE1 4.27Å; W91-Y116 AromaticContact CD1-CE2 3.86Å; W91-Y116 HydrophobicContact CG-CE2 4.42Å; Y98-Y116 HydrophobicContact CG-CD1 4.49Å; A100-Y116 HydrophobicContact CB-CD1 3.91Å; A100-Y116 HydrophobicContact CB-CE1 4.27Å; A100-Y116 HydrophobicContact CB-CG 4.49Å; V114-Y116 HydrophobicContact CG2-CE2 4.24Å; Y116-G118 PolarHBondContact O-N 3.12Å; Y116-Y119 PolarHBondContact O-N 3.26Å; Y116-G120 PolarHBondContact O-N 3.21Å; Y116-N121 HydrophobicContact CD2-CB 4.16Å; Y116-N121 PolarHBondContact N-O 2.99Å; Y116-E123 HydrophobicContact CE2-CB 3.79Å; Y116-E123 PolarHBondContact OH-OE2 3.32Å; Y116-E123 VanDerWaalsContact OH-OE2 3.13Å; Y116-Q125 PolarHBondContact OH-NE2 3.13Å; Y116-Q125 VanDerWaalsContact OH-NE2 3.15Å
117T93.9Very high93.2Very high82 Ų8268.3 Ų68.350%0.50337%0.367SS..THydrogen-bonded Turntrans-64.2130.3-176-61.20000110.7A99 V115 Y119A99-T117 WeakPolarHBondContact O-CB 3.15Å; A99-T117 PolarHBondContact O-N 3.38Å; A99-T117 PolarHBondContact O-OG1 2.99Å; V115-T117 PolarHBondContact O-N 3.27Å; T117-Y119 VanDerWaalsContact C-N 3.25Å; T117-Y119 PolarHBondContact O-N 2.82Å
118G90.1Very high93.2Very high84 Ų8467.8 Ų67.887%0.86637%0.37SS*.THydrogen-bonded Turntrans85.6-26.2-178.500000115Y116Y116-G118 PolarHBondContact O-N 3.12Å
119Y90.7Very high93.2Very high143 Ų14363.6 Ų63.656%0.56135%0.353SS*.THydrogen-bonded Turntrans-100.2-38.4179.2-62.5-87.3000112.9Y98 Y116 T117 N121Y98-Y119 HydrophobicContact CD1-CE2 4.01Å; Y98-Y119 AromaticContact CE1-CE2 3.9Å; Y98-Y119 HydrophobicContact CE1-CE2 3.9Å; Y116-Y119 PolarHBondContact O-N 3.26Å; T117-Y119 VanDerWaalsContact C-N 3.25Å; T117-Y119 PolarHBondContact O-N 2.82Å; Y119-N121 PolarHBondContact O-N 3.39Å
120G90.7Very high93.3Very high49 Ų4957.4 Ų57.451%0.50533%0.331SS..  trans75.88.6-176.500000114.7Y116Y116-G120 PolarHBondContact O-N 3.21Å
121N94.1Very high93.3Very high69 Ų6960.6 Ų60.637%0.36934%0.34SS..  trans-67.8142.1170.9-66.5-16.4000110V115 Y116 Y119V115-N121 WeakPolarHBondContact CA-O 3.3Å; Y116-N121 HydrophobicContact CD2-CB 4.16Å; Y116-N121 PolarHBondContact N-O 2.99Å; Y119-N121 PolarHBondContact O-N 3.39Å
122E94.9Very high92.8Very high133 Ų13363.1 Ų63.162%0.62135%0.352SS*.EExtended strand (participates in β ladder)trans-111.7133.9176.6-61.8-167.9155.700110.7V113 V114 V115V113-E122 HydrophobicContact CG1-CB 4.01Å; V114-E122 WeakPolarHBondContact O-CA 3.25Å; V115-E122 HydrophobicContact CG2-CG 3.87Å
123E94.8Very high91.7Very high41 Ų4166.6 Ų66.619%0.19237%0.368CS..EExtended strand (participates in β ladder)trans-140144.4178.7-174.9158.8-147.500112.2S92 V113 V114 Y116 Q125S92-E123 WeakPolarHBondContact CB-OE1 3.43Å; S92-E123 PolarHBondContact N-OE2 3.08Å; S92-E123 PolarHBondContact OG-OE1 3.34Å; V113-E123 WeakPolarHBondContact CA-O 3.46Å; V114-E123 PolarHBondContact N-O 2.97Å; V114-E123 PolarHBondContact O-N 2.97Å; Y116-E123 HydrophobicContact CE2-CB 3.79Å; Y116-E123 PolarHBondContact OH-OE2 3.32Å; Y116-E123 VanDerWaalsContact OH-OE2 3.13Å; E123-Q125 HydrophobicContact CG-CG 4.39Å; E123-Q125 PolarHBondContact OE2-NE2 2.93Å
124E95.8Very high89.8Confident102 Ų10272.6 Ų72.648%0.47740%0.397SS..EExtended strand (participates in β ladder)trans-82.7115.6172.8-174.8-178.7103.300110.2R109 T111 C112R109-E124 IonicContact CZ-OE1 3.46Å; R109-E124 IonicContact CZ-OE2 3.49Å; R109-E124 IonicContact NH1-OE1 3.47Å; R109-E124 PolarHBondContact NH1-OE1 2.86Å; R109-E124 IonicContact NH1-OE2 2.69Å; R109-E124 PolarHBondContact NH1-OE2 3.4Å; R109-E124 IonicContact NH2-OE1 2.66Å; R109-E124 PolarHBondContact NH2-OE1 2.99Å; R109-E124 IonicContact NH2-OE2 3.43Å; R109-E124 PolarHBondContact NH2-OE2 3.39Å; T111-E124 HydrophobicContact CG2-CG 4.35Å; C112-E124 CarbonylContact O-C 3.59Å; C112-E124 WeakPolarHBondContact O-CA 3.45Å
125Q95.3Very high87.4Confident34 Ų3476 Ų7616%0.15942%0.422CS..EExtended strand (participates in β ladder)trans-121157.7-177.3-67.5-69.4-13.100110.9A89 Y90 T111 C112 V114 Y116 E123 L130A89-Q125 HydrophobicContact CB-CG 4.23Å; Y90-Q125 PolarHBondContact O-NE2 3.13Å; T111-Q125 CarbonylContact C-O 3.5Å; T111-Q125 VanDerWaalsContact CA-O 3.29Å; T111-Q125 WeakPolarHBondContact CA-O 3.49Å; C112-Q125 PolarHBondContact N-O 2.94Å; C112-Q125 PolarHBondContact O-N 3.4Å; C112-Q125 PolarHBondContact SG-O 2.93Å; C112-Q125 VanDerWaalsContact SG-O 3.33Å; V114-Q125 HydrophobicContact CG1-CB 4.49Å; V114-Q125 HydrophobicContact CG2-CB 4.41Å; V114-Q125 HydrophobicContact CG2-CG 3.68Å; Y116-Q125 PolarHBondContact OH-NE2 3.13Å; Y116-Q125 VanDerWaalsContact OH-NE2 3.15Å; E123-Q125 HydrophobicContact CG-CG 4.39Å; E123-Q125 PolarHBondContact OE2-NE2 2.93Å; Q125-L130 HydrophobicContact CB-CD2 4.03Å
126N93.8Very high85Confident53 Ų5382.6 Ų82.628%0.28345%0.45SS..EExtended strand (participates in β ladder)trans-83.2135.6175.5-179.313.4000110.7G110 D128 D129 L130G110-N126 PolarHBondContact O-OD1 2.91Å; G110-N126 VanDerWaalsContact O-OD1 3.11Å; N126-D128 PolarHBondContact O-N 2.72Å; N126-D128 PolarHBondContact OD1-N 2.95Å; N126-D129 HydrophobicContact CB-CB 4.14Å; N126-D129 VanDerWaalsContact CB-OD2 3.24Å; N126-D129 WeakPolarHBondContact CB-OD2 3.16Å; N126-D129 PolarHBondContact ND2-OD2 3.38Å; N126-D129 PolarHBondContact O-N 3.21Å; N126-D129 VanDerWaalsContact O-N 3.13Å; N126-L130 PolarHBondContact O-N 3.47Å
127L90.6Very high82.4Confident29 Ų2985.8 Ų85.815%0.15248%0.477CS..THydrogen-bonded Turntrans-61.4-31.8-179.9-71.6169.3000113W81 I105 G110 C112 L130W81-L127 HydrophobicContact CB-CD2 3.92Å; W81-L127 HydrophobicContact CG-CD2 4.19Å; W81-L127 PolarHBondContact NE1-O 3.25Å; I105-L127 HydrophobicContact CD1-CD2 4.47Å; I105-L127 HydrophobicContact CG1-CD2 4.48Å; I105-L127 HydrophobicContact CG2-CD1 3.86Å; I105-L127 HydrophobicContact CG2-CD2 4.09Å; G110-L127 VanDerWaalsContact O-CB 3.3Å; G110-L127 WeakPolarHBondContact O-CB 3.11Å; G110-L127 VanDerWaalsContact O-CG 3.24Å; G110-L127 WeakPolarHBondContact O-CG 3.34Å; G110-L127 PolarHBondContact O-N 2.88Å; C112-L127 HydrophobicContact CB-CD2 3.7Å; C112-L127 HydrophobicContact CB-CG 4.3Å; L127-L130 HydrophobicContact CD2-CD1 4.49Å
128D89.1Confident79.8Confident148 Ų14889.7 Ų89.779%0.79150%0.495SS*.THydrogen-bonded Turntrans-75.8-24.8178.2-70.2-31.5000112.8N126N126-D128 PolarHBondContact O-N 2.72Å; N126-D128 PolarHBondContact OD1-N 2.95Å
129D90.1Very high77.8Confident100 Ų10093 Ų9354%0.53549%0.488SS..THydrogen-bonded Turntrans-92.3-11.1-179.5-65.1-53.1000112.7N126 M131N126-D129 HydrophobicContact CB-CB 4.14Å; N126-D129 VanDerWaalsContact CB-OD2 3.24Å; N126-D129 WeakPolarHBondContact CB-OD2 3.16Å; N126-D129 PolarHBondContact ND2-OD2 3.38Å; N126-D129 PolarHBondContact O-N 3.21Å; N126-D129 VanDerWaalsContact O-N 3.13Å; D129-M131 PolarHBondContact O-N 3.34Å
130L89.5Confident75.4Confident13 Ų1389.5 Ų89.57%0.06849%0.488CS..PPolyproline II helixtrans-64.5126.3172.2-69-169000111.2W81 C87 A89 I102 V114 Q125 N126 L127W81-L130 HydrophobicContact CD2-CD1 4.09Å; W81-L130 HydrophobicContact CG-CD1 4.31Å; W81-L130 HydrophobicContact CH2-CB 4.31Å; W81-L130 HydrophobicContact CZ2-CB 3.5Å; W81-L130 HydrophobicContact CZ2-CD1 4.23Å; C87-L130 HydrophobicContact CB-CD1 4.36Å; A89-L130 HydrophobicContact CB-CD2 3.96Å; I102-L130 HydrophobicContact CD1-CD1 3.47Å; I102-L130 VanDerWaalsContact CD1-CD1 3.47Å; I102-L130 HydrophobicContact CG1-CD1 3.95Å; V114-L130 HydrophobicContact CG1-CD1 4.47Å; V114-L130 HydrophobicContact CG1-CD2 3.86Å; Q125-L130 HydrophobicContact CB-CD2 4.03Å; N126-L130 PolarHBondContact O-N 3.47Å; L127-L130 HydrophobicContact CD2-CD1 4.49Å
131M89.4Confident73Confident92 Ų9291.8 Ų91.845%0.45350%0.503SS..EExtended strand (participates in β ladder)trans-84.6141.2169.7-59.7-164.972.200110.6C87 S88 L97 D129 E133C87-M131 CarbonylContact C-O 3.55Å; C87-M131 WeakPolarHBondContact CA-O 3.23Å; S88-M131 PolarHBondContact N-O 2.95Å; S88-M131 WeakPolarHBondContact O-CB 3.48Å; S88-M131 PolarHBondContact O-N 3.44Å; L97-M131 HydrophobicContact CD1-CG 4.27Å; L97-M131 HydrophobicContact CD1-SD 3.88Å; L97-M131 HydrophobicContact CD2-SD 4Å; D129-M131 PolarHBondContact O-N 3.34Å; M131-E133 PolarHBondContact O-N 2.94Å
132L84.1Confident70.3Confident72 Ų7294.7 Ų94.738%0.37752%0.518SS..EExtended strand (participates in β ladder)trans-62.1123.9163.7-73.1167.5000108.7P77 K79 W81 I134P77-L132 HydrophobicContact CG-CD1 3.88Å; K79-L132 HydrophobicContact CD-CD2 3.73Å; W81-L132 HydrophobicContact CH2-CD2 3.67Å; W81-L132 HydrophobicContact CH2-CG 4.2Å; W81-L132 HydrophobicContact CZ2-CD2 4.15Å; W81-L132 HydrophobicContact CZ2-CG 4.38Å; W81-L132 HydrophobicContact CZ3-CD2 4.03Å; L132-I134 VanDerWaalsContact C-N 3.31Å; L132-I134 PolarHBondContact O-N 3.12Å
133E73.6Confident67.7Low76 Ų7694.1 Ų94.136%0.35553%0.526SS..  trans-66.896.6166.8-173.7168.5-143.300107.5S86 A99 M131 S135S86-E133 VanDerWaalsContact CB-OE2 3.27Å; S86-E133 WeakPolarHBondContact CB-OE2 3.32Å; A99-E133 VanDerWaalsContact CB-OE1 3.3Å; A99-E133 WeakPolarHBondContact CB-OE1 3.32Å; M131-E133 PolarHBondContact O-N 2.94Å; E133-S135 PolarHBondContact O-N 2.87Å
134I55.5Low65.1Low160 Ų160100.9 Ų100.982%0.82155%0.554SS**  trans-72.781.5172.5-55.7177.1000106L132 E136L132-I134 VanDerWaalsContact C-N 3.31Å; L132-I134 PolarHBondContact O-N 3.12Å; I134-E136 PolarHBondContact O-N 2.63Å
135S46.7Very low62.2Low73 Ų73105.2 Ų105.251%0.5158%0.575SS.*  trans-54.9135.2-174.559.90000111.2E133 A137E133-S135 PolarHBondContact O-N 2.87Å; S135-A137 PolarHBondContact O-N 3.22Å
136E46.7Very low59.2Low177 Ų177110.7 Ų110.783%0.82760%0.598SS**G310 helixtrans-66.55.6168.9-57.5-175.6121.700111.8I134 D138 E139 A140I134-E136 PolarHBondContact O-N 2.63Å; E136-D138 VanDerWaalsContact C-N 3.32Å; E136-D138 PolarHBondContact O-N 3.11Å; E136-E139 PolarHBondContact O-N 2.85Å; E136-A140 PolarHBondContact O-N 3.32Å
137A40.8Very low56.6Low71 Ų71114.4 Ų114.459%0.58762%0.623SS**G310 helixtrans-80.24.3-173.500000115.7S135 E139S135-A137 PolarHBondContact O-N 3.22Å; A137-E139 VanDerWaalsContact C-N 3.31Å
138D39.2Very low54Low165 Ų165120.9 Ų120.988%0.88265%0.652SS**G310 helixtrans-87.4-2.6159.2-141.94.2000111.7E136E136-D138 VanDerWaalsContact C-N 3.32Å; E136-D138 PolarHBondContact O-N 3.11Å
139E47.9Very low51.6Low153 Ų153122.5 Ų122.572%0.71566%0.655SS**SBendtrans-121.64.4172.8-82.7-73.9153.800113.6E136 A137E136-E139 PolarHBondContact O-N 2.85Å; A137-E139 VanDerWaalsContact C-N 3.31Å
140A40.8Very low48.5Very low69 Ų69122.9 Ų122.957%0.5767%0.665SS**  trans-109.849-170.500000116E136 N142E136-A140 PolarHBondContact O-N 3.32Å; A140-N142 VanDerWaalsContact C-N 3.31Å; A140-N142 PolarHBondContact O-N 3.2Å
141A40.4Very low46.1Very low98 Ų98127.7 Ų127.781%0.8170%0.7SS**  trans-79.672173.900000113.2
142N37.1Very low43.6Very low129 Ų129129.4 Ų129.469%0.6972%0.716SS**  trans15.7115.9160.4-156.8-44.3000117.6A140 K144A140-N142 VanDerWaalsContact C-N 3.31Å; A140-N142 PolarHBondContact O-N 3.2Å; N142-K144 PolarHBondContact OD1-N 3.24Å
143P41.6Very low41.4Very low121 Ų121134.8 Ų134.879%0.78674%0.739SS**  -128.2129.9114.734.4-28.2000113.3E145P143-E145 PolarHBondContact O-N 2.85Å
144K39.6Very low40Very low183 Ų183140 Ų14080%0.79676%0.764SS**  trans-53.4124.5157.4-55.7165.5178.1175.10109.2N142N142-K144 PolarHBondContact OD1-N 3.24Å
145E33.8Very low39.7Very low194 Ų194137.4 Ų137.491%0.90776%0.759SS**  trans-142.4153.2140-77.5-148-163.600111.6P143P143-E145 PolarHBondContact O-N 2.85Å
146K32.4Very low39.8Very low148 Ų148141.1 Ų141.164%0.64377%0.774SS**  trans-55.9141.9-165.5177.5-166.1142.5-61.20115.7E148K146-E148 IonicContact NZ-OE1 2.67Å; K146-E148 PolarHBondContact NZ-OE1 2.89Å; K146-E148 IonicContact NZ-OE2 2.74Å
147V40.4Very low39.9Very low132 Ų132144.3 Ų144.380%0.878%0.778SS**  trans-51.6137.9167.5177.10000112.8
148E35Very low39.7Very low165 Ų165146.3 Ų146.377%0.77179%0.787SS**  trans-149151.6154.6-131.5149.5-123.400108.6K146K146-E148 IonicContact NZ-OE1 2.67Å; K146-E148 PolarHBondContact NZ-OE1 2.89Å; K146-E148 IonicContact NZ-OE2 2.74Å
149E38.6Very low39.6Very low182 Ų182144.1 Ų144.185%0.8579%0.785SS**  trans-73.3144.1-168.2-72.116877.100114
150S26.3Very low39Very low108 Ų108143 Ų14376%0.75579%0.789SS**  trans-153.868.5155.4-177.50000110.6T152S150-T152 PolarHBondContact O-N 2.95Å
151S38.4Very low39.2Very low113 Ų113145.3 Ų145.379%0.7980%0.798SS**  trans-63.2126.6164.2-57.80000109.6
152T36.3Very low38.5Very low129 Ų129145.7 Ų145.779%0.79180%0.795SS**  trans-112.6132.9162.3450000109S150S150-T152 PolarHBondContact O-N 2.95Å
153E38.8Very low38.2Very low185 Ų185148 Ų14886%0.86480%0.802SS**  trans-86.4147.7-169.863.5-144.9101.100113.2
154E43.8Very low37.6Very low186 Ų186148.8 Ų148.887%0.86979%0.794SS**  trans-142.5152176.4-84.3-62.4162.800111.3
155S48.8Very low37.2Very low105 Ų105148.3 Ų148.373%0.73479%0.792SS**  trans78.5103.7172.5-1460000119.5
156D49.7Very low37.1Very low151 Ų151146.1 Ų146.181%0.80778%0.782SS**  trans-54.5143.1158.1-92.6-75.6000114.2
157R48.4Very low37Very low244 Ų244146.2 Ų146.292%0.92179%0.785SS**  trans-163.2125.6139.1-108.4152.8-167174.46.8112.8
158S35.4Very low36.9Very low112 Ų112145.5 Ų145.578%0.78378%0.783SS**  trans-93.6130-176.3-178.40000113.2
159S38.4Very low36.5Very low119 Ų119145.3 Ų145.383%0.83278%0.782SS**  trans-166.2149.6154.7-83.10000111.1
160T34.8Very low36.1Very low129 Ų129140 Ų14079%0.79178%0.776SS**  trans-134.1179.3-17558.80000109.8
161P44.8Very low36.4Very low118 Ų118143.8 Ų143.877%0.76678%0.779SS**  cis-132.2159.7-48.933.7-19.2000113
162S26Very low35.9Very low107 Ų107144.7 Ų144.775%0.74878%0.779SS**  trans-167123.7146.3-149.20000117.3
163Q31.1Very low35.8Very low178 Ų178148.1 Ų148.183%0.83279%0.786SS**  trans42.6120.7136.3-59.9-170.525.200124.6
164H28.9Very low35.3Very low136 Ų136149.2 Ų149.263%0.6379%0.788SS**  82.195.6116.3-176.279.8000122.3
165K31.7Very low34.8Very low173 Ų173146.2 Ų146.275%0.75279%0.788SS**  trans159.1159.8133.8-91.1155.8-177171.60109.3
166Q31.1Very low33.9Very low149 Ų149150.7 Ų150.770%0.69679%0.794SS**  cis166.1137-30-110.9-170.7-1200104.8
167H30.5Very low32.9Very low149 Ų149150.4 Ų150.469%0.6980%0.798SS**  trans66.7162.8173.5-83-85.3000116.7H169H167-H169 AromaticContact CE1-CD2 3.83Å; H167-H169 AromaticContact ND1-CD2 3.4Å; H167-H169 PolarHBondContact ND1-CD2 3.37Å
168P38.1Very low32.1Very low118 Ų118146.7 Ų146.777%0.76679%0.791SS**  cis-100.216113.719.62.2000114.2
169H26.9Very low32Very low161 Ų161150.7 Ų150.775%0.74579%0.794SS**  50.5119.973.2-85.2-76.4000114.9H167H167-H169 AromaticContact CE1-CD2 3.83Å; H167-H169 AromaticContact ND1-CD2 3.4Å; H167-H169 PolarHBondContact ND1-CD2 3.37Å
170G30.3Very low31.5Very low70 Ų70153.7 Ų153.772%0.72279%0.794SS**  cis167.2172-12.600000115
171K31.5Very low31.6Very low188 Ų188154.6 Ų154.682%0.81779%0.794SS**  trans61.593.5159.4-67.2-174.6178.4178.90120.8
172T28.3Very low31.6Very low131 Ų131154.5 Ų154.580%0.80479%0.793SS**  47.1129.5121.358.40000122
173Q34.1Very low32Very low201 Ų201154.9 Ų154.994%0.93980%0.796SS**  -144.7157.3117.9-112.5178.612.700111.8
174K29.6Very low32Very low208 Ų208154.7 Ų154.790%0.90480%0.797SS**  trans-140.4134.3179.8-87.2-179.2175.6172.20109.5
175S32.1Very low32.5Very low124 Ų124160.1 Ų160.187%0.86781%0.812SS**  trans-152.1136.5153.849.10000110.6
176K30.9Very low33.3Very low198 Ų198157.7 Ų157.786%0.86181%0.814SS**  trans-96.1165.1174.7-61.2175.5176-179.30109.8
177T28.9Very low33.9Very low145 Ų145156.9 Ų156.989%0.8982%0.822SS**  -151.2161125.4-78.60000108.9
178H30.6Very low34Very low167 Ų167152.9 Ų152.977%0.77382%0.821SS**  trans-140.5173.9-165.3-148.1-103000109.8
179K32.6Very low34Very low196 Ų196157 Ų15785%0.85283%0.827SS**  trans100.1140.8179.8-60.1161.3-176.6-178.60113.6
180H29.1Very low34.8Very low181 Ų181155.2 Ų155.284%0.83883%0.83SS**  cis-159.4158.5-21.4-162.7-91.8000110
181L35.6Very low35Very low149 Ų149155.1 Ų155.178%0.7883%0.829SS**  trans-89.4-177.7177.7-78.6165.1000112.4
182P46.8Very low36Very low115 Ų115156 Ų15675%0.74783%0.833SS**  cis-131.4179.6-1130.5-10.1000114.6
183S32.6Very low37.4Very low116 Ų116155.2 Ų155.281%0.81183%0.83SS**  trans-160.8121.7138.7-159.80000115.7
184M31.6Very low38Very low174 Ų174151.6 Ų151.686%0.85782%0.824SS**  trans21.2127.6142.1-144.6157.9-77.900122.2
185W39.2Very low38.7Very low249 Ų249144.8 Ų144.894%0.94381%0.812SS**PPolyproline II helixtrans-75.3143.7161-73.1-5.4000112.4
186P49.2Very low39.7Very low122 Ų122144.9 Ų144.979%0.79281%0.81SS**PPolyproline II helixtrans-92.8144159.835.3-30.7000112
187P43.6Very low40.6Very low133 Ų133140.8 Ų140.886%0.86480%0.804SS**PPolyproline II helixtrans-101147.3176.636.4-32.3000113.9
188G32.3Very low41.4Very low64 Ų64139.9 Ų139.966%0.6680%0.801SS**  trans137.6149.5147.600000119
189F38.7Very low42Very low206 Ų206140.9 Ų140.990%0.90481%0.808SS**  trans78146.7161-68-82.4000118.7
190P44.5Very low42.3Very low123 Ų123139.9 Ų139.980%0.79981%0.806SS**  -142.9-166.8-126.142.7-22.2000114.8
191G34.5Very low42.6Very low68 Ų68137.9 Ų137.970%0.70180%0.801SS**  trans128.271.4148.500000117.3
192F50.8Low42.5Very low206 Ų206140.7 Ų140.790%0.90481%0.808SS**PPolyproline II helixtrans-82.9128.6151.6-91.3-96.7000109
193P57.6Low41.9Very low115 Ų115138 Ų13875%0.74780%0.8SS**PPolyproline II helixtrans-74.8133.817230-32.7000110.6
194P48.1Very low42.2Very low125 Ų125140.6 Ų140.681%0.81280%0.799SS**PPolyproline II helixtrans-76.1143.8175.631.2-34.2000111.6
195G42.9Very low42.1Very low64 Ų64144.2 Ų144.266%0.6680%0.803SS**PPolyproline II helixtrans-72152.6169.700000112.4
196P53.7Low41.9Very low126 Ų126137.7 Ų137.782%0.81878%0.784SS**PPolyproline II helixtrans-71.9139.4-178.828.7-34.3000112.7
197P50.2Low41.3Very low113 Ų113139.4 Ų139.473%0.73479%0.786SS**PPolyproline II helixtrans-78.2166.3177.232.8-35.8000113.1
198P46.3Very low41Very low126 Ų126141.7 Ų141.782%0.81878%0.777SS**PPolyproline II helixtrans-79160.8-172.832.8-37.3000113.9
199M41.8Very low41.2Very low188 Ų188149.9 Ų149.993%0.92679%0.788SS**  trans-110.1134.1165.1-70.6-166.669.700110.9
200H39.3Very low40.9Very low174 Ų174145.5 Ų145.581%0.80678%0.783SS**  trans-85173.6173.9-114.5-76.2000112.1
201D35.5Very low40.5Very low140 Ų140144.9 Ų144.975%0.74979%0.789SS**  trans-43.3143.1-175.3-53.6-98000116.6
202F34.3Very low40.6Very low208 Ų208145 Ų14591%0.91279%0.79SS**  trans-122.2116153.3-159.4-88.4000109.9
203G33.8Very low40.3Very low57 Ų57144.5 Ų144.559%0.58879%0.79SS**  trans-81138.6-16600000115.6
204H37.5Very low39.4Very low171 Ų171142.1 Ų142.179%0.79279%0.786SS**  trans47107.3136.6-162.3-87.9000119.2
205R31.1Very low39.6Very low250 Ų250142.3 Ų142.394%0.94379%0.787SS**  trans-132.1123.2150.1-163172.4-173.7-134.2-0.7112.1
206E35Very low40.3Very low113 Ų113145.5 Ų145.553%0.52879%0.794SS.*  trans-72.7138.9-176.1-178.1-170.9154.700113.1R208E206-R208 HydrophobicContact CG-CG 4.49Å; E206-R208 IonicContact OE1-CZ 2.71Å; E206-R208 IonicContact OE1-NE 2.63Å; E206-R208 PolarHBondContact OE1-NE 2.99Å; E206-R208 IonicContact OE1-NH2 3.87Å; E206-R208 PolarHBondContact OE1-NH2 2.97Å
207N36.3Very low40.6Very low157 Ų157144.4 Ų144.484%0.8479%0.787SS**  trans-148.7148.7140.5-161.15.1000110.5
208R35.9Very low41.1Very low182 Ų182144.8 Ų144.869%0.68779%0.789SS**  trans-103.9145-169.4-50.8176-168.8-169.3-2111.4E206E206-R208 HydrophobicContact CG-CG 4.49Å; E206-R208 IonicContact OE1-CZ 2.71Å; E206-R208 IonicContact OE1-NE 2.63Å; E206-R208 PolarHBondContact OE1-NE 2.99Å; E206-R208 IonicContact OE1-NH2 3.87Å; E206-R208 PolarHBondContact OE1-NH2 2.97Å
209R37.3Very low41.8Very low236 Ų236144 Ų14489%0.89179%0.787SS**  -178.2129.9129.1-95144.6-155.7-135.42.8113.8
210S32.4Very low42.5Very low113 Ų113146 Ų14679%0.7978%0.784SS**  trans35.4115.3143.4-510000121.6
211A37.1Very low43.5Very low111 Ų111142.7 Ų142.792%0.91778%0.778SS**  trans4.2117141.700000118.5
212G36.5Very low44.2Very low70 Ų70141.9 Ų141.972%0.72278%0.78SS**  trans-162.8134.9164.200000109.2G214G212-G214 PolarHBondContact O-N 3.42Å
213H44.5Very low45.3Very low195 Ų195140.9 Ų140.990%0.90378%0.781SS**PPolyproline II helixtrans-54.2119.1-171.7-59.2-90.8000112.7
214G38.3Very low46.3Very low65 Ų65146.7 Ų146.767%0.6780%0.795SS**PPolyproline II helixtrans-66.1134.1171.300000110.8G212 V216G212-G214 PolarHBondContact O-N 3.42Å; G214-V216 PolarHBondContact O-N 2.8Å
215P51Low47.2Very low129 Ų129143.3 Ų143.384%0.83879%0.788SS**PPolyproline II helixtrans-62.1128.7172.4-20.232.2000110.2
216V58.7Low48.1Very low132 Ų132141.3 Ų141.380%0.879%0.787SS**PPolyproline II helixtrans-62.3124.5167.7-178.50000107.4G214G214-V216 PolarHBondContact O-N 2.8Å
217P59.7Low49.3Very low103 Ų103138.7 Ų138.767%0.66979%0.79SS**PPolyproline II helixtrans-63136.3176.726.6-33.7000109.2S219P217-S219 PolarHBondContact O-N 3.43Å
218P61.8Low50.3Low120 Ų120136.1 Ų136.178%0.77978%0.782SS**PPolyproline II helixtrans-61125.9178.725.4-33.3000109.5W220P218-W220 PolarHBondContact O-N 2.85Å
219S60.4Low51.4Low111 Ų111132.2 Ų132.278%0.77678%0.78SS**SBendtrans-7946.5-172.562.90000113.5P217P217-S219 PolarHBondContact O-N 3.43Å
220W55.3Low52.4Low230 Ų230129.4 Ų129.487%0.87178%0.779SS**SBendtrans-175.5141.9156.7-91.9-49.4000109.9P218P218-W220 PolarHBondContact O-N 2.85Å
221P60.3Low53.9Low104 Ų104128.3 Ų128.368%0.67576%0.763SS**  trans-68.7155.5160.332.1-34.1000110.3M223P221-M223 PolarHBondContact O-N 3.48Å
222P52Low55.2Low122 Ų122126.8 Ų126.879%0.79274%0.744SS**  trans-62136.2174.627.2-34.4000110.6M224P222-M224 PolarHBondContact O-N 2.96Å
223M55.9Low56.4Low187 Ų187129.2 Ų129.292%0.92175%0.747SS**  trans-62.4108.7179.1-62.9179.574.200110.4P221P221-M223 PolarHBondContact O-N 3.48Å
224M54.8Low57.3Low180 Ų180123.7 Ų123.789%0.88773%0.728SS**  trans-66.1129.7169.6-77.8-152.4-80.100109.8P222P222-M224 PolarHBondContact O-N 2.96Å
225P57.2Low58.9Low100 Ų100124.9 Ų124.965%0.64973%0.725SS**SBendtrans-78.3146.7175.233.9-35000110.7
226F50.3Low59.7Low208 Ų208125.1 Ų125.191%0.91273%0.726SS**  trans70.762.4171.6-47.6-69.6000117.6
227G60.2Low59.8Low58 Ų58125.7 Ų125.760%0.59872%0.722SS**SBendtrans-111.6164.2144.100000110.7
228P55.8Low59.7Low103 Ų103123.9 Ų123.967%0.66971%0.711SS**  trans-58152.9158.729.3-34.2000109.2M230P228-M230 PolarHBondContact O-N 3.29Å
229P60.6Low59.5Low99 Ų99124.3 Ų124.364%0.64371%0.714SS**  trans-61.1110.4-176.625.6-33.9000109.9I231 L265P229-I231 PolarHBondContact O-N 3.07Å; P229-L265 HydrophobicContact CG-CD1 4.38Å
230M57.9Low59.3Low177 Ų177126 Ų12687%0.87272%0.715SS**PPolyproline II helixtrans-66.8120.6174-64.9-160.3-52.200108.6P228P228-M230 PolarHBondContact O-N 3.29Å
231I64.2Low59.3Low90 Ų90120.2 Ų120.246%0.46270%0.698SS.*PPolyproline II helixtrans-51.4129.4159.9-61.2161.4000106.4P229 W254P229-I231 PolarHBondContact O-N 3.07Å; I231-W254 HydrophobicContact CG2-CD2 4.47Å; I231-W254 HydrophobicContact CG2-CH2 3.61Å; I231-W254 HydrophobicContact CG2-CZ2 3.21Å; I231-W254 HydrophobicContact CG2-CZ3 4.37Å
232P62.8Low59Low80 Ų80121 Ų12152%0.51970%0.701SS.*PPolyproline II helixtrans-60.7153.6179.622.1-28.7000110.3W254P232-W254 HydrophobicContact CG-CZ2 3.98Å; P232-W254 VanDerWaalsContact O-CH2 3.23Å; P232-W254 WeakPolarHBondContact O-CH2 3.44Å; P232-W254 WeakPolarHBondContact O-CZ2 3.49Å
233P62.6Low59.4Low121 Ų121122.2 Ų122.279%0.78670%0.701SS**PPolyproline II helixtrans-61.1140.1174.926.7-33.9000109.9
234P64.3Low60.3Low78 Ų78116.5 Ų116.551%0.50667%0.674SS.*PPolyproline II helixtrans-62.2153175.627.2-34.1000110.6W254P234-W254 HydrophobicContact CB-CH2 4.06Å; P234-W254 HydrophobicContact CB-CZ3 4.11Å
235P70.5Confident61.6Low91 Ų91115.8 Ų115.859%0.59167%0.669SS**PPolyproline II helixtrans-58.8146.3177.3-22.433.5000112M237P235-M237 PolarHBondContact O-N 2.89Å; P235-M237 VanDerWaalsContact O-N 3.12Å
236P68.9Low62.9Low134 Ų134114.1 Ų114.187%0.8766%0.663SS**  trans-66.411217427.8-33.3000110
237M60.8Low64.6Low143 Ų143107.3 Ų107.370%0.70464%0.636SS**  trans-77.2138.8-179-66.2172.1163.800112.1P235 L251P235-M237 PolarHBondContact O-N 2.89Å; P235-M237 VanDerWaalsContact O-N 3.12Å; M237-L251 HydrophobicContact CE-CD1 3.49Å; M237-L251 VanDerWaalsContact CE-CD1 3.49Å
238S56.4Low65.8Low65 Ų65106.3 Ų106.346%0.45563%0.625SS.*  trans-81.5146.9150.8460000109.3D240S238-D240 PolarHBondContact O-N 3.14Å
239P59.2Low67.3Low129 Ų129104.1 Ų104.184%0.83861%0.613SS**THydrogen-bonded Turntrans-676.1176.5-22.534.9000116
240D55.1Low68.8Low148 Ų148104 Ų10479%0.79161%0.61SS**THydrogen-bonded Turntrans-11215.2-165.2-155.543.5000112.1S238S238-D240 PolarHBondContact O-N 3.14Å
241M54.7Low70.2Confident107 Ų10797.4 Ų97.453%0.52758%0.578SS.*  trans-135.227.6-178.4-62.5-155.773.800112.6L247M241-L247 HydrophobicContact CB-CD2 4.5Å
242V55.7Low71.4Confident120 Ų12098.1 Ų98.173%0.72758%0.582SS**SBendtrans-79-25179.663.40000112.6D244V242-D244 VanDerWaalsContact C-N 3.33Å; V242-D244 PolarHBondContact O-N 2.99Å
243D58.9Low72.6Confident148 Ų14897.7 Ų97.779%0.79158%0.581SS**SBendtrans-84.10.6-178.7-52.6-85.5000114.3E245D243-E245 PolarHBondContact O-N 2.97Å; D243-E245 VanDerWaalsContact O-N 3.14Å
244D74.8Confident73.9Confident67 Ų6796.3 Ų96.336%0.35856%0.56SS.*  trans-80.491.9172.6-174.5-21.5000109.9V242 A246 L247 G248V242-D244 VanDerWaalsContact C-N 3.33Å; V242-D244 PolarHBondContact O-N 2.99Å; D244-A246 PolarHBondContact O-N 3.22Å; D244-A246 WeakPolarHBondContact OD1-CA 3.49Å; D244-A246 WeakPolarHBondContact OD1-CB 3.45Å; D244-A246 PolarHBondContact OD1-N 2.73Å; D244-L247 HydrophobicContact CB-CB 3.82Å; D244-L247 PolarHBondContact O-N 3.03Å; D244-L247 VanDerWaalsContact O-N 3.14Å; D244-L247 PolarHBondContact OD1-N 3.46Å; D244-G248 PolarHBondContact O-N 3.3Å
245E82Confident75.2Confident165 Ų16599.6 Ų99.677%0.77156%0.563SS**Hα-helixtrans-55.1-32.8177.5-175.6179.8-164.600112.8D243 S249D243-E245 PolarHBondContact O-N 2.97Å; D243-E245 VanDerWaalsContact O-N 3.14Å; E245-S249 VanDerWaalsContact O-CB 3.24Å; E245-S249 WeakPolarHBondContact O-CB 3.47Å; E245-S249 PolarHBondContact O-N 2.95Å; E245-S249 PolarHBondContact O-OG 3.13Å
246A84.5Confident76.4Confident65 Ų6599.1 Ų99.154%0.53755%0.554SS.*Hα-helixtrans-73.5-41.1178.300000111.3D244 S249 V250D244-A246 PolarHBondContact O-N 3.22Å; D244-A246 WeakPolarHBondContact OD1-CA 3.49Å; D244-A246 WeakPolarHBondContact OD1-CB 3.45Å; D244-A246 PolarHBondContact OD1-N 2.73Å; A246-S249 PolarHBondContact O-N 3.11Å; A246-V250 WeakPolarHBondContact O-CG2 3.39Å; A246-V250 PolarHBondContact O-N 2.84Å
247L85.9Confident77.5Confident66 Ų6696.3 Ų96.335%0.34654%0.538SS..Hα-helixtrans-63.5-43.9171.6179.959.7000111.4M241 D244 S249 V250 L251M241-L247 HydrophobicContact CB-CD2 4.5Å; D244-L247 HydrophobicContact CB-CB 3.82Å; D244-L247 PolarHBondContact O-N 3.03Å; D244-L247 VanDerWaalsContact O-N 3.14Å; D244-L247 PolarHBondContact OD1-N 3.46Å; L247-S249 VanDerWaalsContact C-N 3.34Å; L247-S249 PolarHBondContact O-N 3.16Å; L247-V250 PolarHBondContact O-N 3.42Å; L247-L251 HydrophobicContact CD1-CD1 4.12Å; L247-L251 HydrophobicContact CD1-CG 4.28Å; L247-L251 HydrophobicContact CG-CD1 3.98Å; L247-L251 WeakPolarHBondContact O-CB 3.45Å; L247-L251 VanDerWaalsContact O-CG 3.28Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.46Å
248G86.9Confident79.2Confident36 Ų3690 Ų9037%0.37151%0.51SS..Hα-helixtrans-56.6-46.9172.700000112D244 V250 L251 I252D244-G248 PolarHBondContact O-N 3.3Å; G248-V250 PolarHBondContact O-N 3.4Å; G248-L251 PolarHBondContact O-N 2.99Å; G248-I252 WeakPolarHBondContact O-CG2 3.31Å; G248-I252 PolarHBondContact O-N 3.04Å
249S87.2Confident80.9Confident58 Ų5892.8 Ų92.841%0.40651%0.511SS..Hα-helixtrans-61-40.6176.9-65.80000113E245 A246 L247 I252 S253E245-S249 VanDerWaalsContact O-CB 3.24Å; E245-S249 WeakPolarHBondContact O-CB 3.47Å; E245-S249 PolarHBondContact O-N 2.95Å; E245-S249 PolarHBondContact O-OG 3.13Å; A246-S249 PolarHBondContact O-N 3.11Å; L247-S249 VanDerWaalsContact C-N 3.34Å; L247-S249 PolarHBondContact O-N 3.16Å; S249-I252 WeakPolarHBondContact O-CG2 3.15Å; S249-S253 VanDerWaalsContact O-CB 3.23Å; S249-S253 WeakPolarHBondContact O-CB 3.29Å; S249-S253 PolarHBondContact O-N 2.95Å; S249-S253 PolarHBondContact O-OG 3.17Å
250V91.9Very high82.4Confident95 Ų9591.3 Ų91.358%0.57649%0.493SS*.Hα-helixtrans-66.3-44.9175.21690000110.7A246 L247 G248 S253 W254A246-V250 WeakPolarHBondContact O-CG2 3.39Å; A246-V250 PolarHBondContact O-N 2.84Å; L247-V250 PolarHBondContact O-N 3.42Å; G248-V250 PolarHBondContact O-N 3.4Å; V250-S253 PolarHBondContact O-N 3.02Å; V250-W254 VanDerWaalsContact O-CB 3.26Å; V250-W254 WeakPolarHBondContact O-CB 3.06Å; V250-W254 PolarHBondContact O-N 3.33Å
251L86.6Confident84.2Confident39 Ų3987.7 Ų87.720%0.20448%0.476CS..Hα-helixtrans-66.5-41.4-178.4-71.6168.6000112.5M237 L247 G248 W254 Y255M237-L251 HydrophobicContact CE-CD1 3.49Å; M237-L251 VanDerWaalsContact CE-CD1 3.49Å; L247-L251 HydrophobicContact CD1-CD1 4.12Å; L247-L251 HydrophobicContact CD1-CG 4.28Å; L247-L251 HydrophobicContact CG-CD1 3.98Å; L247-L251 WeakPolarHBondContact O-CB 3.45Å; L247-L251 VanDerWaalsContact O-CG 3.28Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.46Å; G248-L251 PolarHBondContact O-N 2.99Å; L251-W254 PolarHBondContact O-N 2.56Å; L251-Y255 WeakPolarHBondContact O-CB 3.35Å; L251-Y255 PolarHBondContact O-N 3.24Å
252I89.4Confident85.9Confident105 Ų10584.5 Ų84.554%0.53847%0.471SS..Hα-helixtrans-71-40.2176.7-161167.9000111.4G248 S249 W254 Y255 M256G248-I252 WeakPolarHBondContact O-CG2 3.31Å; G248-I252 PolarHBondContact O-N 3.04Å; S249-I252 WeakPolarHBondContact O-CG2 3.15Å; I252-W254 VanDerWaalsContact C-N 3.28Å; I252-W254 PolarHBondContact O-N 2.86Å; I252-Y255 PolarHBondContact O-N 3.09Å; I252-M256 HydrophobicContact CG1-CG 4.29Å; I252-M256 WeakPolarHBondContact O-CB 3.17Å; I252-M256 VanDerWaalsContact O-CG 3.28Å; I252-M256 WeakPolarHBondContact O-CG 3.23Å; I252-M256 PolarHBondContact O-N 3.03Å
253S88.5Confident87.5Confident72 Ų7284.2 Ų84.250%0.50346%0.457SS..Hα-helixtrans-57.2-42.6173.5-63.80000112S249 V250 S257S249-S253 VanDerWaalsContact O-CB 3.23Å; S249-S253 WeakPolarHBondContact O-CB 3.29Å; S249-S253 PolarHBondContact O-N 2.95Å; S249-S253 PolarHBondContact O-OG 3.17Å; V250-S253 PolarHBondContact O-N 3.02Å; S253-S257 VanDerWaalsContact O-CB 3.31Å; S253-S257 WeakPolarHBondContact O-CB 3.42Å; S253-S257 PolarHBondContact O-N 3.13Å; S253-S257 PolarHBondContact O-OG 2.84Å
254W89.5Confident89Confident92 Ų9283.5 Ų83.535%0.34845%0.445SS..Hα-helixtrans-69.4-43.4177.5174.880.7000112.6I231 P232 P234 V250 L251 I252 S257 G258I231-W254 HydrophobicContact CG2-CD2 4.47Å; I231-W254 HydrophobicContact CG2-CH2 3.61Å; I231-W254 HydrophobicContact CG2-CZ2 3.21Å; I231-W254 HydrophobicContact CG2-CZ3 4.37Å; P232-W254 HydrophobicContact CG-CZ2 3.98Å; P232-W254 VanDerWaalsContact O-CH2 3.23Å; P232-W254 WeakPolarHBondContact O-CH2 3.44Å; P232-W254 WeakPolarHBondContact O-CZ2 3.49Å; P234-W254 HydrophobicContact CB-CH2 4.06Å; P234-W254 HydrophobicContact CB-CZ3 4.11Å; V250-W254 VanDerWaalsContact O-CB 3.26Å; V250-W254 WeakPolarHBondContact O-CB 3.06Å; V250-W254 PolarHBondContact O-N 3.33Å; L251-W254 PolarHBondContact O-N 2.56Å; I252-W254 VanDerWaalsContact C-N 3.28Å; I252-W254 PolarHBondContact O-N 2.86Å; W254-S257 PolarHBondContact O-N 2.93Å; W254-G258 PolarHBondContact O-N 3.45Å
255Y92.8Very high89.7Confident146 Ų14683.8 Ų83.857%0.57345%0.446SS*.Hα-helixtrans-59.4-50.6174.2172.8-96.1000111.8L251 I252 S257 G258 Y259L251-Y255 WeakPolarHBondContact O-CB 3.35Å; L251-Y255 PolarHBondContact O-N 3.24Å; I252-Y255 PolarHBondContact O-N 3.09Å; Y255-S257 PolarHBondContact O-N 3.05Å; Y255-G258 CarbonylContact O-C 3.6Å; Y255-G258 WeakPolarHBondContact O-CA 3.48Å; Y255-G258 PolarHBondContact O-N 3.03Å; Y255-G258 VanDerWaalsContact O-N 3.11Å; Y255-Y259 PolarHBondContact O-N 2.7Å
256M94.4Very high90.2Very high81 Ų8178.1 Ų78.140%0.39943%0.431SS..Hα-helixtrans-61.8-44.2179.2-66.9-59.1-73.600111.3I252 G258 Y259 H260I252-M256 HydrophobicContact CG1-CG 4.29Å; I252-M256 WeakPolarHBondContact O-CB 3.17Å; I252-M256 VanDerWaalsContact O-CG 3.28Å; I252-M256 WeakPolarHBondContact O-CG 3.23Å; I252-M256 PolarHBondContact O-N 3.03Å; M256-G258 VanDerWaalsContact C-N 3.26Å; M256-G258 PolarHBondContact O-N 2.74Å; M256-Y259 PolarHBondContact O-N 3.06Å; M256-Y259 VanDerWaalsContact O-N 3.16Å; M256-H260 PolarHBondContact O-CD2 3.34Å; M256-H260 PolarHBondContact O-N 3.11Å
257S93.2Very high90.3Very high76 Ų7678.2 Ų78.253%0.53142%0.422SS..Hα-helixtrans-56.2-40.9173.7-62.80000112.4S253 W254 Y255 T261S253-S257 VanDerWaalsContact O-CB 3.31Å; S253-S257 WeakPolarHBondContact O-CB 3.42Å; S253-S257 PolarHBondContact O-N 3.13Å; S253-S257 PolarHBondContact O-OG 2.84Å; W254-S257 PolarHBondContact O-N 2.93Å; Y255-S257 PolarHBondContact O-N 3.05Å; S257-T261 VanDerWaalsContact O-CB 3.3Å; S257-T261 WeakPolarHBondContact O-CB 3.37Å; S257-T261 PolarHBondContact O-N 3.04Å; S257-T261 PolarHBondContact O-OG1 3.34Å
258G94.6Very high90.3Very high11 Ų1179.7 Ų79.711%0.11343%0.426CS..Hα-helixtrans-66.4-46.1174.300000113.3W254 Y255 M256 T261 G262W254-G258 PolarHBondContact O-N 3.45Å; Y255-G258 CarbonylContact O-C 3.6Å; Y255-G258 WeakPolarHBondContact O-CA 3.48Å; Y255-G258 PolarHBondContact O-N 3.03Å; Y255-G258 VanDerWaalsContact O-N 3.11Å; M256-G258 VanDerWaalsContact C-N 3.26Å; M256-G258 PolarHBondContact O-N 2.74Å; G258-T261 PolarHBondContact O-N 3.26Å; G258-G262 PolarHBondContact O-N 3.47Å
259Y93.5Very high90.3Very high123 Ų12382.1 Ų82.148%0.48243%0.428SS..Hα-helixtrans-58.2-55.6178.3174.8-93.3000111.9Y255 M256 T261 G262 Y263Y255-Y259 PolarHBondContact O-N 2.7Å; M256-Y259 PolarHBondContact O-N 3.06Å; M256-Y259 VanDerWaalsContact O-N 3.16Å; Y259-T261 VanDerWaalsContact C-N 3.29Å; Y259-T261 PolarHBondContact O-N 2.9Å; Y259-G262 PolarHBondContact O-N 2.98Å; Y259-G262 VanDerWaalsContact O-N 3.12Å; Y259-Y263 WeakPolarHBondContact O-CB 3.11Å; Y259-Y263 PolarHBondContact O-N 3.45Å
260H91.1Very high90.1Very high97 Ų9781.4 Ų81.445%0.44943%0.429SS..Hα-helixtrans-62.6-36.4180-69-73000111.9M256 Y263 Y264M256-H260 PolarHBondContact O-CD2 3.34Å; M256-H260 PolarHBondContact O-N 3.11Å; H260-Y263 PolarHBondContact O-N 3.29Å; H260-Y264 WeakPolarHBondContact O-CB 3.24Å; H260-Y264 PolarHBondContact O-N 2.95Å
261T91.5Very high89.7Confident73 Ų7385 Ų8545%0.44843%0.433SS..Hα-helixtrans-61.8-45.7173.7-62.50000111.6S257 G258 Y259 L265S257-T261 VanDerWaalsContact O-CB 3.3Å; S257-T261 WeakPolarHBondContact O-CB 3.37Å; S257-T261 PolarHBondContact O-N 3.04Å; S257-T261 PolarHBondContact O-OG1 3.34Å; G258-T261 PolarHBondContact O-N 3.26Å; Y259-T261 VanDerWaalsContact C-N 3.29Å; Y259-T261 PolarHBondContact O-N 2.9Å; T261-L265 HydrophobicContact CG2-CD1 4.05Å; T261-L265 WeakPolarHBondContact O-CB 3.23Å; T261-L265 WeakPolarHBondContact O-CD1 3.47Å; T261-L265 VanDerWaalsContact O-CG 3.25Å; T261-L265 WeakPolarHBondContact O-CG 3.26Å; T261-L265 PolarHBondContact O-N 2.91Å; T261-L265 VanDerWaalsContact O-N 3.08Å
262G91.8Very high89.3Confident40 Ų4088.4 Ų88.441%0.41245%0.446SS..Hα-helixtrans-63.9-45.2176.600000112.9G258 Y259 L265 G266G258-G262 PolarHBondContact O-N 3.47Å; Y259-G262 PolarHBondContact O-N 2.98Å; Y259-G262 VanDerWaalsContact O-N 3.12Å; G262-L265 PolarHBondContact O-N 3.33Å; G262-G266 PolarHBondContact O-N 3.12Å
263Y88.5Confident88.7Confident113 Ų11387 Ų8744%0.44344%0.437SS..Hα-helixtrans-60.1-49.6177.7-178.8-102.9000112Y259 H260 L265 G266 L267Y259-Y263 WeakPolarHBondContact O-CB 3.11Å; Y259-Y263 PolarHBondContact O-N 3.45Å; H260-Y263 PolarHBondContact O-N 3.29Å; Y263-L265 VanDerWaalsContact C-N 3.34Å; Y263-L265 PolarHBondContact O-N 3.38Å; Y263-G266 PolarHBondContact O-N 3.47Å; Y263-G266 VanDerWaalsContact O-N 3.13Å; Y263-L267 HydrophobicContact CD1-CD1 4.04Å; Y263-L267 HydrophobicContact CD1-CG 4.48Å; Y263-L267 HydrophobicContact CE1-CD1 3.41Å; Y263-L267 VanDerWaalsContact CE1-CD1 3.41Å; Y263-L267 HydrophobicContact CE1-CG 4.09Å; Y263-L267 PolarHBondContact O-N 2.87Å
264Y89.8Confident87.9Confident134 Ų13486 Ų8653%0.52543%0.433SS..Hα-helixtrans-59.2-42.9175.8176.3-98.1000112.4H260 G266 K268H260-Y264 WeakPolarHBondContact O-CB 3.24Å; H260-Y264 PolarHBondContact O-N 2.95Å; Y264-G266 VanDerWaalsContact C-N 3.35Å; Y264-K268 HydrophobicContact CD1-CD 4.45Å; Y264-K268 HydrophobicContact CE1-CD 3.61Å; Y264-K268 WeakPolarHBondContact O-CB 3.28Å; Y264-K268 PolarHBondContact O-N 2.9Å; Y264-K268 PolarHBondContact OH-NZ 3.23Å
265L89.9Confident87Confident73 Ų7386.7 Ų86.738%0.38244%0.444SS..Hα-helixtrans-61.8-42.3175.1-76.1167.7000111.6P229 T261 G262 Y263 K268 Q269P229-L265 HydrophobicContact CG-CD1 4.38Å; T261-L265 HydrophobicContact CG2-CD1 4.05Å; T261-L265 WeakPolarHBondContact O-CB 3.23Å; T261-L265 WeakPolarHBondContact O-CD1 3.47Å; T261-L265 VanDerWaalsContact O-CG 3.25Å; T261-L265 WeakPolarHBondContact O-CG 3.26Å; T261-L265 PolarHBondContact O-N 2.91Å; T261-L265 VanDerWaalsContact O-N 3.08Å; G262-L265 PolarHBondContact O-N 3.33Å; Y263-L265 VanDerWaalsContact C-N 3.34Å; Y263-L265 PolarHBondContact O-N 3.38Å; L265-K268 PolarHBondContact O-N 3.18Å; L265-Q269 WeakPolarHBondContact O-CB 3.32Å; L265-Q269 PolarHBondContact O-N 2.86Å
266G91.9Very high86.2Confident45 Ų4584.9 Ų84.946%0.46444%0.439SS..Hα-helixtrans-59-55.7175.200000112.5G262 Y263 Y264 K268 Q269 G270G262-G266 PolarHBondContact O-N 3.12Å; Y263-G266 PolarHBondContact O-N 3.47Å; Y263-G266 VanDerWaalsContact O-N 3.13Å; Y264-G266 VanDerWaalsContact C-N 3.35Å; G266-K268 VanDerWaalsContact C-N 3.32Å; G266-K268 PolarHBondContact O-N 3.02Å; G266-Q269 PolarHBondContact O-N 3.47Å; G266-Q269 VanDerWaalsContact O-N 3.13Å; G266-G270 PolarHBondContact O-N 3.36Å
267L88.3Confident84.7Confident67 Ų6789.1 Ų89.135%0.35145%0.45SS..Hα-helixtrans-56.2-45.4176.2-71.5-176.1000111.9Y263 Q269 G270 R271Y263-L267 HydrophobicContact CD1-CD1 4.04Å; Y263-L267 HydrophobicContact CD1-CG 4.48Å; Y263-L267 HydrophobicContact CE1-CD1 3.41Å; Y263-L267 VanDerWaalsContact CE1-CD1 3.41Å; Y263-L267 HydrophobicContact CE1-CG 4.09Å; Y263-L267 PolarHBondContact O-N 2.87Å; L267-Q269 VanDerWaalsContact C-N 3.26Å; L267-Q269 PolarHBondContact O-N 3.06Å; L267-G270 PolarHBondContact O-N 3.24Å; L267-R271 WeakPolarHBondContact O-CG 3.4Å; L267-R271 PolarHBondContact O-N 2.95Å
268K85.5Confident83.4Confident97 Ų9789.6 Ų89.642%0.42245%0.45SS..Hα-helixtrans-68-25.4-179.2-167.6170.4-166.8167.90112.8Y264 L265 G266 K272Y264-K268 HydrophobicContact CD1-CD 4.45Å; Y264-K268 HydrophobicContact CE1-CD 3.61Å; Y264-K268 WeakPolarHBondContact O-CB 3.28Å; Y264-K268 PolarHBondContact O-N 2.9Å; Y264-K268 PolarHBondContact OH-NZ 3.23Å; L265-K268 PolarHBondContact O-N 3.18Å; G266-K268 VanDerWaalsContact C-N 3.32Å; G266-K268 PolarHBondContact O-N 3.02Å; K268-K272 WeakPolarHBondContact O-CD 3.38Å; K268-K272 WeakPolarHBondContact O-CG 3.45Å
269Q86.9Confident81.9Confident87 Ų8797 Ų9741%0.40748%0.479SS..Hα-helixtrans-81-44.3172.9-175.25421.900111.3L265 G266 L267 R271 K272 E273L265-Q269 WeakPolarHBondContact O-CB 3.32Å; L265-Q269 PolarHBondContact O-N 2.86Å; G266-Q269 PolarHBondContact O-N 3.47Å; G266-Q269 VanDerWaalsContact O-N 3.13Å; L267-Q269 VanDerWaalsContact C-N 3.26Å; L267-Q269 PolarHBondContact O-N 3.06Å; Q269-R271 PolarHBondContact O-N 3.14Å; Q269-K272 WeakPolarHBondContact O-CB 3.33Å; Q269-K272 PolarHBondContact O-N 2.89Å; Q269-E273 PolarHBondContact NE2-OE1 3.14Å; Q269-E273 PolarHBondContact O-N 2.84Å; Q269-E273 VanDerWaalsContact O-N 3.12Å
270G83Confident80.5Confident43 Ų4397.3 Ų97.344%0.44349%0.489SS..Hα-helixtrans-55.3-47174.500000112.9G266 L267 K272 E273 A274G266-G270 PolarHBondContact O-N 3.36Å; L267-G270 PolarHBondContact O-N 3.24Å; G270-K272 VanDerWaalsContact C-N 3.27Å; G270-K272 PolarHBondContact O-N 3.1Å; G270-E273 PolarHBondContact O-N 2.85Å; G270-A274 WeakPolarHBondContact O-CB 3.48Å; G270-A274 PolarHBondContact O-N 2.88Å
271R82.4Confident79Confident171 Ų17198.7 Ų98.765%0.64550%0.495SS*.Hα-helixtrans-58-33.9175.4-67.6177.3-158.2-167.47.7112.9L267 Q269 N275L267-R271 WeakPolarHBondContact O-CG 3.4Å; L267-R271 PolarHBondContact O-N 2.95Å; Q269-R271 PolarHBondContact O-N 3.14Å; R271-N275 VanDerWaalsContact O-CB 3.32Å; R271-N275 WeakPolarHBondContact O-CB 3.23Å; R271-N275 PolarHBondContact O-N 3.18Å; R271-N275 PolarHBondContact O-ND2 2.97Å
272K79.8Confident77.3Confident110 Ų110103.6 Ų103.648%0.47851%0.512SS..Hα-helixtrans-73.7-43177.8-69.5167.3-168.4167.40112.6K268 Q269 G270 N275 K276K268-K272 WeakPolarHBondContact O-CD 3.38Å; K268-K272 WeakPolarHBondContact O-CG 3.45Å; Q269-K272 WeakPolarHBondContact O-CB 3.33Å; Q269-K272 PolarHBondContact O-N 2.89Å; G270-K272 VanDerWaalsContact C-N 3.27Å; G270-K272 PolarHBondContact O-N 3.1Å; K272-N275 CarbonylContact O-C 3.59Å; K272-N275 PolarHBondContact O-N 3.36Å; K272-K276 PolarHBondContact O-N 2.98Å
273E75.9Confident75.1Confident76 Ų76113.8 Ų113.836%0.35555%0.546SS..Hα-helixtrans-72.1-37.2-178.3-56.6-49.4125.900111.2Q269 G270 N275 K276 W277Q269-E273 PolarHBondContact NE2-OE1 3.14Å; Q269-E273 PolarHBondContact O-N 2.84Å; Q269-E273 VanDerWaalsContact O-N 3.12Å; G270-E273 PolarHBondContact O-N 2.85Å; E273-N275 VanDerWaalsContact C-N 3.33Å; E273-N275 PolarHBondContact O-N 3.07Å; E273-K276 WeakPolarHBondContact O-CB 3.48Å; E273-K276 PolarHBondContact O-N 3.48Å; E273-K276 VanDerWaalsContact O-N 3.12Å; E273-K276 IonicContact OE1-NZ 2.69Å; E273-K276 PolarHBondContact OE1-NZ 3.2Å; E273-K276 WeakPolarHBondContact OE2-CD 3.28Å; E273-K276 IonicContact OE2-NZ 2.68Å; E273-K276 PolarHBondContact OE2-NZ 3.19Å; E273-W277 PolarHBondContact O-N 3.22Å
274A72.3Confident74.4Confident52 Ų52113.9 Ų113.943%0.4355%0.551SS.*Hα-helixtrans-56.8-45.4167.900000112G270 K276 W277 T278G270-A274 WeakPolarHBondContact O-CB 3.48Å; G270-A274 PolarHBondContact O-N 2.88Å; A274-K276 PolarHBondContact O-N 2.86Å; A274-W277 PolarHBondContact O-N 3.47Å; A274-T278 PolarHBondContact O-N 3.12Å; A274-T278 PolarHBondContact O-OG1 3.21Å
275N70.6Confident73.6Confident105 Ų105112.8 Ų112.856%0.56155%0.552SS**Hα-helixtrans-71.3-10.8177.5-73.9-16000114.9R271 K272 E273 K279R271-N275 VanDerWaalsContact O-CB 3.32Å; R271-N275 WeakPolarHBondContact O-CB 3.23Å; R271-N275 PolarHBondContact O-N 3.18Å; R271-N275 PolarHBondContact O-ND2 2.97Å; K272-N275 CarbonylContact O-C 3.59Å; K272-N275 PolarHBondContact O-N 3.36Å; E273-N275 VanDerWaalsContact C-N 3.33Å; E273-N275 PolarHBondContact O-N 3.07Å; N275-K279 WeakPolarHBondContact O-CG 3.29Å
276K75.1Confident72.7Confident108 Ų108115 Ų11547%0.4756%0.561SS.*Hα-helixtrans-85.8-45.7165-75.4160.7164.8173.90110.6K272 E273 A274 T278 K279 L280K272-K276 PolarHBondContact O-N 2.98Å; E273-K276 WeakPolarHBondContact O-CB 3.48Å; E273-K276 PolarHBondContact O-N 3.48Å; E273-K276 VanDerWaalsContact O-N 3.12Å; E273-K276 IonicContact OE1-NZ 2.69Å; E273-K276 PolarHBondContact OE1-NZ 3.2Å; E273-K276 WeakPolarHBondContact OE2-CD 3.28Å; E273-K276 IonicContact OE2-NZ 2.68Å; E273-K276 PolarHBondContact OE2-NZ 3.19Å; A274-K276 PolarHBondContact O-N 2.86Å; K276-T278 PolarHBondContact O-N 2.94Å; K276-K279 PolarHBondContact O-N 3.21Å; K276-K279 VanDerWaalsContact O-N 3.08Å; K276-L280 WeakPolarHBondContact O-CG 3.45Å; K276-L280 PolarHBondContact O-N 2.74Å
277W63.3Low71.6Confident170 Ų170119.1 Ų119.164%0.64457%0.567SS**Hα-helixtrans-57.6-47.1-178.7-171.1-94.3000112E273 A274 K279 L280 H281E273-W277 PolarHBondContact O-N 3.22Å; A274-W277 PolarHBondContact O-N 3.47Å; W277-K279 PolarHBondContact O-N 3.09Å; W277-L280 PolarHBondContact O-N 2.67Å; W277-L280 VanDerWaalsContact O-N 3.13Å; W277-H281 AromaticContact CD1-CD2 3.84Å; W277-H281 AromaticContact CD2-CD2 4Å; W277-H281 AromaticContact CE2-CD2 3.5Å; W277-H281 VanDerWaalsContact CE2-CD2 3.5Å; W277-H281 AromaticContact CE2-NE2 3.34Å; W277-H281 VanDerWaalsContact CE2-NE2 3.34Å; W277-H281 AromaticContact CH2-NE2 3.92Å; W277-H281 AromaticContact CZ2-CD2 3.9Å; W277-H281 AromaticContact CZ2-NE2 3.21Å; W277-H281 WeakPolarHBondContact CZ2-NE2 3.46Å; W277-H281 AromaticContact NE1-CD2 3.38Å; W277-H281 PolarHBondContact NE1-CD2 3.08Å; W277-H281 AromaticContact NE1-NE2 3.56Å; W277-H281 PolarHBondContact O-N 3.04Å; W277-H281 VanDerWaalsContact O-N 3.09Å
278T65.1Low70.5Confident86 Ų86122.4 Ų122.453%0.52858%0.581SS.*Hα-helixtrans-61.3-30.9176.253.30000113.4A274 K276A274-T278 PolarHBondContact O-N 3.12Å; A274-T278 PolarHBondContact O-OG1 3.21Å; K276-T278 PolarHBondContact O-N 2.94Å
279K64.6Low69.5Low167 Ų167124.1 Ų124.173%0.72659%0.591SS**Hα-helixtrans-80.1-25.8176-71.9-175.2175.8-174.60113.9N275 K276 W277N275-K279 WeakPolarHBondContact O-CG 3.29Å; K276-K279 PolarHBondContact O-N 3.21Å; K276-K279 VanDerWaalsContact O-N 3.08Å; W277-K279 PolarHBondContact O-N 3.09Å
280L62.5Low68.3Low129 Ų129126.7 Ų126.768%0.67560%0.604SS**Hα-helixtrans-78-31.7175.1-71.6169000111.9K276 W277 H282K276-L280 WeakPolarHBondContact O-CG 3.45Å; K276-L280 PolarHBondContact O-N 2.74Å; W277-L280 PolarHBondContact O-N 2.67Å; W277-L280 VanDerWaalsContact O-N 3.13Å; L280-H282 VanDerWaalsContact C-N 3.28Å; L280-H282 PolarHBondContact O-N 2.96Å
281H59.6Low67.2Low127 Ų127133.2 Ų133.259%0.58862%0.617SS**THydrogen-bonded Turntrans-83.810.5177.6-86.2-85.3000115.1W277W277-H281 AromaticContact CD1-CD2 3.84Å; W277-H281 AromaticContact CD2-CD2 4Å; W277-H281 AromaticContact CE2-CD2 3.5Å; W277-H281 VanDerWaalsContact CE2-CD2 3.5Å; W277-H281 AromaticContact CE2-NE2 3.34Å; W277-H281 VanDerWaalsContact CE2-NE2 3.34Å; W277-H281 AromaticContact CH2-NE2 3.92Å; W277-H281 AromaticContact CZ2-CD2 3.9Å; W277-H281 AromaticContact CZ2-NE2 3.21Å; W277-H281 WeakPolarHBondContact CZ2-NE2 3.46Å; W277-H281 AromaticContact NE1-CD2 3.38Å; W277-H281 PolarHBondContact NE1-CD2 3.08Å; W277-H281 AromaticContact NE1-NE2 3.56Å; W277-H281 PolarHBondContact O-N 3.04Å; W277-H281 VanDerWaalsContact O-N 3.09Å
282H56Low65.9Low175 Ų175130 Ų13081%0.8162%0.615SS**THydrogen-bonded Turntrans-128.636.1-177.8-148.561.6000112.6L280L280-H282 VanDerWaalsContact C-N 3.28Å; L280-H282 PolarHBondContact O-N 2.96Å
283K46Very low64.6Low255 Ų255131.8 Ų131.8100%1.10963%0.627SS**  trans-147.50177.2-170.1-164.5171-164.30109.9

Retrieved 283 of 283 residues in 238.8 ms (Link to these results)