A0A060D6E2_MAIZE Loading...

AP2-EREBP transcription factor

AlphaFold DB , UniProt , Accession A0A060D6E2, Species MAIZE (Zea mays, Maize), Gene EREB108, Length 202 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
1M50.6Low71Confident237 Ų237132.4 Ų132.4100%1.16770%0.695SS**  0850-75.6166.7157.500108.7K3M1-K3 PolarHBondContact O-N 3.27Å
2C57.4Low71.8Confident127 Ų127126.6 Ų126.686%0.85868%0.68SS**  trans-82.298.4169.7-69.10000106.6D4C2-D4 PolarHBondContact O-N 3.39Å
3K64.1Low72.6Confident185 Ų185124.1 Ų124.180%0.80467%0.665SS**  trans-62.3124166.5-69.6178.3178177.40106.6M1 K5M1-K3 PolarHBondContact O-N 3.27Å; K3-K5 PolarHBondContact O-N 3.37Å
4D74.5Confident73.4Confident112 Ų112120.6 Ų120.660%0.59966%0.655SS**  trans-49.7109.5-175.6-70.3-63.9000111.3C2 S6 A7 L8C2-D4 PolarHBondContact O-N 3.39Å; D4-S6 PolarHBondContact O-N 3.13Å; D4-S6 VanDerWaalsContact O-N 3.15Å; D4-A7 HydrophobicContact CB-CB 4.06Å; D4-A7 PolarHBondContact O-N 3.3Å; D4-A7 VanDerWaalsContact O-N 3.1Å; D4-L8 PolarHBondContact O-N 3.1Å
5K75.6Confident74.1Confident185 Ų185116.6 Ų116.680%0.80464%0.64SS**Hα-helixtrans-58-26.9175.8-68.1-179.4180174.70111.4K3 L9K3-K5 PolarHBondContact O-N 3.37Å; K5-L9 PolarHBondContact O-N 2.96Å
6S76.7Confident74.8Confident76 Ų76110.6 Ų110.653%0.53161%0.613SS.*Hα-helixtrans-67.9-40.9176.348.60000112.7D4 L9 L10D4-S6 PolarHBondContact O-N 3.13Å; D4-S6 VanDerWaalsContact O-N 3.15Å; S6-L9 PolarHBondContact O-N 3.38Å; S6-L10 PolarHBondContact O-N 2.94Å; S6-L10 VanDerWaalsContact O-N 3.1Å
7A77.2Confident75.4Confident52 Ų52105.8 Ų105.843%0.4359%0.591SS.*Hα-helixtrans-63.4-44.4178.400000111.2D4 L9 L10 E11D4-A7 HydrophobicContact CB-CB 4.06Å; D4-A7 PolarHBondContact O-N 3.3Å; D4-A7 VanDerWaalsContact O-N 3.1Å; A7-L9 VanDerWaalsContact C-N 3.28Å; A7-L9 PolarHBondContact O-N 3.27Å; A7-L10 PolarHBondContact O-N 3.1Å; A7-E11 WeakPolarHBondContact O-CG 3.33Å; A7-E11 PolarHBondContact O-N 3.15Å
8L75.2Confident75.9Confident120 Ų120103.1 Ų103.163%0.62859%0.585SS**Hα-helixtrans-62.9-33.7176.9-64.4-178.1000113.2D4 A12D4-L8 PolarHBondContact O-N 3.1Å; L8-A12 WeakPolarHBondContact O-CB 3.32Å; L8-A12 PolarHBondContact O-N 3.31Å; L8-A12 VanDerWaalsContact O-N 3.09Å
9L75.6Confident76.3Confident108 Ų108104.5 Ų104.557%0.56559%0.586SS**Hα-helixtrans-70.5-41.3178.2-152.3170.1000110.9K5 S6 A7 A12 I13K5-L9 PolarHBondContact O-N 2.96Å; S6-L9 PolarHBondContact O-N 3.38Å; A7-L9 VanDerWaalsContact C-N 3.28Å; A7-L9 PolarHBondContact O-N 3.27Å; L9-A12 PolarHBondContact O-N 3.36Å; L9-I13 HydrophobicContact CD2-CD1 3.32Å; L9-I13 HydrophobicContact CD2-CG1 3.87Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 3.46Å
10L75.9Confident76.8Confident119 Ų119108.1 Ų108.162%0.62359%0.59SS**Hα-helixtrans-64.7-44.4175.9-73173.3000112.3S6 A7 A12 I13 S14S6-L10 PolarHBondContact O-N 2.94Å; S6-L10 VanDerWaalsContact O-N 3.1Å; A7-L10 PolarHBondContact O-N 3.1Å; L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 2.89Å; L10-I13 PolarHBondContact O-N 3.13Å; L10-S14 WeakPolarHBondContact O-CB 3.36Å; L10-S14 PolarHBondContact O-N 3.21Å
11E78.5Confident77.2Confident135 Ų135110 Ų11063%0.63159%0.593SS**Hα-helixtrans-58.3-43.5174.1-71.5-60.214400111.6A7 I13 S14 S15A7-E11 WeakPolarHBondContact O-CG 3.33Å; A7-E11 PolarHBondContact O-N 3.15Å; E11-I13 PolarHBondContact O-N 3.36Å; E11-S14 PolarHBondContact O-N 3.31Å; E11-S15 WeakPolarHBondContact O-CB 3.44Å; E11-S15 PolarHBondContact O-N 3.27Å
12A80.2Confident78.7Confident63 Ų6399.8 Ų99.852%0.52155%0.545SS..Hα-helixtrans-64.6-39.517700000112.9L8 L9 L10 G16L8-A12 WeakPolarHBondContact O-CB 3.32Å; L8-A12 PolarHBondContact O-N 3.31Å; L8-A12 VanDerWaalsContact O-N 3.09Å; L9-A12 PolarHBondContact O-N 3.36Å; L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 2.89Å; A12-G16 PolarHBondContact O-N 3.34Å
13I82.8Confident80Confident94 Ų94101.9 Ų101.948%0.48254%0.535SS..Hα-helixtrans-66.7-42.9175.1-69.3167.9000110.8L9 L10 E11 G16 A17L9-I13 HydrophobicContact CD2-CD1 3.32Å; L9-I13 HydrophobicContact CD2-CG1 3.87Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 3.46Å; L10-I13 PolarHBondContact O-N 3.13Å; E11-I13 PolarHBondContact O-N 3.36Å; I13-G16 PolarHBondContact O-N 3.23Å; I13-A17 WeakPolarHBondContact O-CB 3.45Å; I13-A17 PolarHBondContact O-N 3.36Å
14S82.9Confident80.9Confident75 Ų7595.5 Ų95.552%0.52452%0.517SS..Hα-helixtrans-61.8-48.4178.6-169.30000110.9L10 E11 G16 A17 A18L10-S14 WeakPolarHBondContact O-CB 3.36Å; L10-S14 PolarHBondContact O-N 3.21Å; E11-S14 PolarHBondContact O-N 3.31Å; S14-G16 PolarHBondContact O-N 3.44Å; S14-A17 PolarHBondContact O-N 2.9Å; S14-A17 VanDerWaalsContact O-N 3.12Å; S14-A18 PolarHBondContact O-N 3.12Å
15S84.3Confident81.1Confident61 Ų6197.2 Ų97.243%0.42752%0.515SS..Hα-helixtrans-56-48.9173-178.60000111.7E11 A17 A18 E19E11-S15 WeakPolarHBondContact O-CB 3.44Å; E11-S15 PolarHBondContact O-N 3.27Å; S15-A17 VanDerWaalsContact C-N 3.3Å; S15-A17 PolarHBondContact O-N 2.88Å; S15-A18 WeakPolarHBondContact O-CB 3.45Å; S15-A18 PolarHBondContact O-N 3.32Å; S15-A18 VanDerWaalsContact O-N 3.14Å; S15-E19 WeakPolarHBondContact O-CG 3.38Å; S15-E19 PolarHBondContact O-N 2.86Å
16G85.7Confident81.4Confident21 Ų2191.7 Ų91.722%0.21649%0.489CS..Hα-helixtrans-65.4-27.6177.400000114.4A12 I13 S14 R20A12-G16 PolarHBondContact O-N 3.34Å; I13-G16 PolarHBondContact O-N 3.23Å; S14-G16 PolarHBondContact O-N 3.44Å; G16-R20 WeakPolarHBondContact O-CB 3.46Å; G16-R20 VanDerWaalsContact O-CG 3.28Å; G16-R20 WeakPolarHBondContact O-CG 3.36Å; G16-R20 PolarHBondContact O-N 3.23Å; G16-R20 PolarHBondContact O-NE 2.87Å; G16-R20 VanDerWaalsContact O-NE 3.11Å
17A84.3Confident81.6Confident29 Ų2992.5 Ų92.524%0.2449%0.485CS..Hα-helixtrans-74-41.317200000111.6I13 S14 S15 R20 K21I13-A17 WeakPolarHBondContact O-CB 3.45Å; I13-A17 PolarHBondContact O-N 3.36Å; S14-A17 PolarHBondContact O-N 2.9Å; S14-A17 VanDerWaalsContact O-N 3.12Å; S15-A17 VanDerWaalsContact C-N 3.3Å; S15-A17 PolarHBondContact O-N 2.88Å; A17-R20 PolarHBondContact O-N 2.98Å; A17-K21 WeakPolarHBondContact O-CG 3.49Å; A17-K21 PolarHBondContact O-N 3.05Å; A17-K21 VanDerWaalsContact O-N 3.1Å
18A84.3Confident81.7Confident57 Ų5797.8 Ų97.847%0.47150%0.498SS..Hα-helixtrans-62.3-46.8175.400000111.4S14 S15 R20 K21 A22S14-A18 PolarHBondContact O-N 3.12Å; S15-A18 WeakPolarHBondContact O-CB 3.45Å; S15-A18 PolarHBondContact O-N 3.32Å; S15-A18 VanDerWaalsContact O-N 3.14Å; A18-R20 PolarHBondContact O-N 3.42Å; A18-K21 PolarHBondContact O-N 3.28Å; A18-A22 WeakPolarHBondContact O-CB 3.28Å; A18-A22 PolarHBondContact O-N 3.02Å
19E84Confident81.9Confident130 Ų13093.4 Ų93.461%0.60748%0.475SS*.Hα-helixtrans-60.6-43177.3-73.2-179.5166.700112.7S15 K21 A22 R23S15-E19 WeakPolarHBondContact O-CG 3.38Å; S15-E19 PolarHBondContact O-N 2.86Å; E19-K21 PolarHBondContact O-N 3.34Å; E19-A22 PolarHBondContact O-N 3.49Å; E19-R23 WeakPolarHBondContact O-CB 3.45Å; E19-R23 PolarHBondContact O-N 3.31Å
20R86.1Confident82Confident176 Ų17690.2 Ų90.266%0.66446%0.462SS*.Hα-helixtrans-61.7-43.3175.9-78.4-177.1-66.8169.4-0.2111.7G16 A17 A18 R23 A24G16-R20 WeakPolarHBondContact O-CB 3.46Å; G16-R20 VanDerWaalsContact O-CG 3.28Å; G16-R20 WeakPolarHBondContact O-CG 3.36Å; G16-R20 PolarHBondContact O-N 3.23Å; G16-R20 PolarHBondContact O-NE 2.87Å; G16-R20 VanDerWaalsContact O-NE 3.11Å; A17-R20 PolarHBondContact O-N 2.98Å; A18-R20 PolarHBondContact O-N 3.42Å; R20-R23 PolarHBondContact O-N 3.36Å; R20-A24 WeakPolarHBondContact O-CB 3.47Å; R20-A24 PolarHBondContact O-N 3.09Å
21K84.7Confident82.5Confident149 Ų14989 Ų8965%0.64846%0.464SS*.Hα-helixtrans-64.3-43.8175.6-72.3175.2-178178.10111.4A17 A18 E19 R23 A24 R25A17-K21 WeakPolarHBondContact O-CG 3.49Å; A17-K21 PolarHBondContact O-N 3.05Å; A17-K21 VanDerWaalsContact O-N 3.1Å; A18-K21 PolarHBondContact O-N 3.28Å; E19-K21 PolarHBondContact O-N 3.34Å; K21-R23 PolarHBondContact O-N 2.93Å; K21-A24 PolarHBondContact O-N 3.48Å; K21-R25 WeakPolarHBondContact O-CG 3.27Å; K21-R25 PolarHBondContact O-N 3.48Å
22A82.9Confident83.1Confident21 Ų2185.5 Ų85.517%0.17445%0.445CS..Hα-helixtrans-61-44.6176.900000111.3A18 E19 A24 R25 R26A18-A22 WeakPolarHBondContact O-CB 3.28Å; A18-A22 PolarHBondContact O-N 3.02Å; E19-A22 PolarHBondContact O-N 3.49Å; A22-A24 PolarHBondContact O-N 3.21Å; A22-R25 PolarHBondContact O-N 2.98Å; A22-R26 WeakPolarHBondContact O-CB 3.39Å; A22-R26 VanDerWaalsContact O-CG 3.31Å; A22-R26 WeakPolarHBondContact O-CG 3.49Å; A22-R26 PolarHBondContact O-N 3.46Å
23R84Confident83.7Confident171 Ų17185.4 Ų85.465%0.64544%0.438SS*.Hα-helixtrans-61.3-44.3174.7-175.3173.7-178.9-98.83.4112.1E19 R20 K21 R26 Q27E19-R23 WeakPolarHBondContact O-CB 3.45Å; E19-R23 PolarHBondContact O-N 3.31Å; R20-R23 PolarHBondContact O-N 3.36Å; K21-R23 PolarHBondContact O-N 2.93Å; R23-R26 PolarHBondContact O-N 3.11Å; R23-Q27 VanDerWaalsContact NH1-NE2 3.2Å; R23-Q27 WeakPolarHBondContact O-CB 3.4Å; R23-Q27 VanDerWaalsContact O-CG 3.27Å; R23-Q27 WeakPolarHBondContact O-CG 3.44Å; R23-Q27 PolarHBondContact O-N 3.28Å
24A82.8Confident84.2Confident52 Ų5281.9 Ų81.943%0.4342%0.424SS..Hα-helixtrans-63.3-40.1176.800000112.2R20 K21 A22 Q27 K28R20-A24 WeakPolarHBondContact O-CB 3.47Å; R20-A24 PolarHBondContact O-N 3.09Å; K21-A24 PolarHBondContact O-N 3.48Å; A22-A24 PolarHBondContact O-N 3.21Å; A24-Q27 WeakPolarHBondContact O-CB 3.49Å; A24-Q27 PolarHBondContact O-N 3.1Å; A24-K28 PolarHBondContact O-N 3.29Å
25R79.7Confident84.7Confident148 Ų14878.7 Ų78.756%0.55840%0.402SS*.Hα-helixtrans-65.2-44.4174.1-74.9-178.3168.1-142.3-0.2112.1K21 A22 Q27 K28 L29K21-R25 WeakPolarHBondContact O-CG 3.27Å; K21-R25 PolarHBondContact O-N 3.48Å; A22-R25 PolarHBondContact O-N 2.98Å; R25-Q27 VanDerWaalsContact C-N 3.29Å; R25-Q27 PolarHBondContact O-N 3.43Å; R25-K28 WeakPolarHBondContact O-CB 3.36Å; R25-K28 PolarHBondContact O-N 2.95Å; R25-K28 VanDerWaalsContact O-N 3.14Å; R25-L29 WeakPolarHBondContact O-CG 3.48Å; R25-L29 PolarHBondContact O-N 3.34Å
26R81.6Confident85.1Confident68 Ų6880.8 Ų80.826%0.25740%0.4SS..Hα-helixtrans-61.2-37.6173.5-69.8174-177.9-171.70.3111.3A22 R23 L29 S30 W43 P133 D134A22-R26 WeakPolarHBondContact O-CB 3.39Å; A22-R26 VanDerWaalsContact O-CG 3.31Å; A22-R26 WeakPolarHBondContact O-CG 3.49Å; A22-R26 PolarHBondContact O-N 3.46Å; R23-R26 PolarHBondContact O-N 3.11Å; R26-L29 PolarHBondContact O-N 3.1Å; R26-S30 VanDerWaalsContact O-CB 3.26Å; R26-S30 WeakPolarHBondContact O-CB 3.49Å; R26-S30 PolarHBondContact O-N 3.45Å; R26-W43 HydrophobicContact CB-CH2 4.22Å; R26-W43 HydrophobicContact CB-CZ2 4.38Å; R26-W43 HydrophobicContact CG-CZ2 4.26Å; R26-W43 VanDerWaalsContact O-CH2 3.29Å; R26-W43 WeakPolarHBondContact O-CH2 3.49Å; R26-P133 HydrophobicContact CG-CG 4.48Å; R26-D134 IonicContact CZ-OD1 3.77Å; R26-D134 IonicContact CZ-OD2 3.91Å; R26-D134 IonicContact NE-OD1 3.96Å; R26-D134 IonicContact NH2-OD1 2.84Å; R26-D134 PolarHBondContact NH2-OD1 3.48Å; R26-D134 IonicContact NH2-OD2 2.79Å; R26-D134 PolarHBondContact NH2-OD2 3.27Å
27Q80.1Confident85.4Confident94 Ų9482.8 Ų82.844%0.43940%0.403SS..Hα-helixtrans-64.1-42.2172.7-74.5170.3-8.200112.2R23 A24 R25 S30 S31R23-Q27 VanDerWaalsContact NH1-NE2 3.2Å; R23-Q27 WeakPolarHBondContact O-CB 3.4Å; R23-Q27 VanDerWaalsContact O-CG 3.27Å; R23-Q27 WeakPolarHBondContact O-CG 3.44Å; R23-Q27 PolarHBondContact O-N 3.28Å; A24-Q27 WeakPolarHBondContact O-CB 3.49Å; A24-Q27 PolarHBondContact O-N 3.1Å; R25-Q27 VanDerWaalsContact C-N 3.29Å; R25-Q27 PolarHBondContact O-N 3.43Å; Q27-S30 CarbonylContact O-C 3.48Å; Q27-S30 WeakPolarHBondContact O-CB 3.44Å; Q27-S30 PolarHBondContact O-N 2.88Å; Q27-S31 PolarHBondContact O-N 3.14Å; Q27-S31 VanDerWaalsContact O-N 3.15Å; Q27-S31 PolarHBondContact O-OG 3.33Å
28K80.3Confident85.7Confident162 Ų16288.4 Ų88.470%0.70442%0.418SS*.Hα-helixtrans-62.2-44.1174.5-172.7180-179.8-178.20112A24 R25 S30 S31A24-K28 PolarHBondContact O-N 3.29Å; R25-K28 WeakPolarHBondContact O-CB 3.36Å; R25-K28 PolarHBondContact O-N 2.95Å; R25-K28 VanDerWaalsContact O-N 3.14Å; K28-S30 VanDerWaalsContact C-N 3.29Å; K28-S30 PolarHBondContact O-N 2.84Å; K28-S31 WeakPolarHBondContact O-CA 3.31Å; K28-S31 WeakPolarHBondContact O-CB 3.39Å; K28-S31 PolarHBondContact O-N 2.9Å; K28-S31 PolarHBondContact O-OG 3.44Å
29L78.7Confident85.8Confident28 Ų2893.6 Ų93.615%0.14743%0.432CS..Hα-helixtrans-67.1-31.7175.7-67.2172.5000111.9R25 R26 S31 W32 W43 A64 M130R25-L29 WeakPolarHBondContact O-CG 3.48Å; R25-L29 PolarHBondContact O-N 3.34Å; R26-L29 PolarHBondContact O-N 3.1Å; L29-S31 PolarHBondContact O-N 3.16Å; L29-W32 HydrophobicContact CB-CE3 4.5Å; L29-W32 HydrophobicContact CB-CZ3 4.41Å; L29-W32 HydrophobicContact CD2-CE3 4.25Å; L29-W32 HydrophobicContact CD2-CH2 3.34Å; L29-W32 HydrophobicContact CD2-CZ2 3.82Å; L29-W32 HydrophobicContact CD2-CZ3 3.54Å; L29-W32 PolarHBondContact O-N 2.93Å; L29-W43 HydrophobicContact CB-CH2 3.5Å; L29-W43 HydrophobicContact CB-CZ2 4.11Å; L29-W43 HydrophobicContact CB-CZ3 4.09Å; L29-W43 HydrophobicContact CD1-CH2 4.43Å; L29-W43 HydrophobicContact CD1-CZ2 4.24Å; L29-A64 HydrophobicContact CB-CB 3.7Å; L29-A64 HydrophobicContact CD1-CB 4.19Å; L29-A64 HydrophobicContact CD2-CB 4.37Å; L29-A64 HydrophobicContact CG-CB 4.3Å; L29-M130 HydrophobicContact CD2-CE 3.63Å
30S78.6Confident85.9Confident42 Ų4297 Ų9729%0.29444%0.439SS..THydrogen-bonded Turntrans-71.3-4.1169.9-165.40000113.3R26 Q27 K28 W32R26-S30 VanDerWaalsContact O-CB 3.26Å; R26-S30 WeakPolarHBondContact O-CB 3.49Å; R26-S30 PolarHBondContact O-N 3.45Å; Q27-S30 CarbonylContact O-C 3.48Å; Q27-S30 WeakPolarHBondContact O-CB 3.44Å; Q27-S30 PolarHBondContact O-N 2.88Å; K28-S30 VanDerWaalsContact C-N 3.29Å; K28-S30 PolarHBondContact O-N 2.84Å; S30-W32 VanDerWaalsContact C-N 3.32Å
31S85.4Confident86Confident94 Ų9490.5 Ų90.566%0.65743%0.427SS*.THydrogen-bonded Turntrans-84.6-7.2173-50.20000112.4Q27 K28 L29Q27-S31 PolarHBondContact O-N 3.14Å; Q27-S31 VanDerWaalsContact O-N 3.15Å; Q27-S31 PolarHBondContact O-OG 3.33Å; K28-S31 WeakPolarHBondContact O-CA 3.31Å; K28-S31 WeakPolarHBondContact O-CB 3.39Å; K28-S31 PolarHBondContact O-N 2.9Å; K28-S31 PolarHBondContact O-OG 3.44Å; L29-S31 PolarHBondContact O-N 3.16Å
32W91.9Very high86.3Confident61 Ų6186.9 Ų86.923%0.23141%0.412CS..SBendtrans-64.1140.2169.2-71.5-36.2000111L29 S30 G34 V35 A64 R65 A68 F91 M130L29-W32 HydrophobicContact CB-CE3 4.5Å; L29-W32 HydrophobicContact CB-CZ3 4.41Å; L29-W32 HydrophobicContact CD2-CE3 4.25Å; L29-W32 HydrophobicContact CD2-CH2 3.34Å; L29-W32 HydrophobicContact CD2-CZ2 3.82Å; L29-W32 HydrophobicContact CD2-CZ3 3.54Å; L29-W32 PolarHBondContact O-N 2.93Å; S30-W32 VanDerWaalsContact C-N 3.32Å; W32-G34 PolarHBondContact O-N 3.35Å; W32-V35 HydrophobicContact CB-CB 4.05Å; W32-V35 HydrophobicContact CB-CG2 3.88Å; W32-V35 PolarHBondContact O-N 3.14Å; W32-V35 VanDerWaalsContact O-N 3.11Å; W32-A64 HydrophobicContact CE3-CB 3.67Å; W32-A64 HydrophobicContact CH2-CB 4.5Å; W32-A64 HydrophobicContact CZ3-CB 3.34Å; W32-A64 WeakPolarHBondContact CZ3-O 3.44Å; W32-R65 HydrophobicContact CH2-CB 4.14Å; W32-R65 HydrophobicContact CZ3-CB 4.15Å; W32-R65 VanDerWaalsContact CZ3-N 3.28Å; W32-A68 HydrophobicContact CB-CB 4.14Å; W32-A68 HydrophobicContact CD2-CB 4.15Å; W32-A68 HydrophobicContact CE3-CB 3.97Å; W32-A68 HydrophobicContact CG-CB 4.26Å; W32-F91 HydrophobicContact CH2-CZ 4.31Å; W32-F91 HydrophobicContact CZ2-CE1 4.45Å; W32-F91 HydrophobicContact CZ2-CZ 4.05Å; W32-M130 HydrophobicContact CH2-CE 3.59Å; W32-M130 HydrophobicContact CH2-SD 4.39Å; W32-M130 HydrophobicContact CZ2-CE 4.4Å; W32-M130 HydrophobicContact CZ3-CE 4.45Å
33T92.2Very high86.8Confident61 Ų6186.5 Ų86.537%0.37441%0.406SS..THydrogen-bonded Turntrans-62.8129.4-176.2-49.80000109.1V35 Y71 N90T33-V35 PolarHBondContact O-N 3.49Å; T33-Y71 HydrophobicContact CG2-CE1 3.66Å; T33-Y71 WeakPolarHBondContact CG2-OH 3.29Å; T33-Y71 VanDerWaalsContact O-CD1 3.28Å; T33-Y71 WeakPolarHBondContact O-CD1 3.43Å; T33-N90 WeakPolarHBondContact CB-OD1 3.09Å; T33-N90 PolarHBondContact N-OD1 3.32Å; T33-N90 PolarHBondContact O-ND2 3.28Å; T33-N90 PolarHBondContact OG1-OD1 2.86Å
34G93.1Very high87.3Confident19 Ų1978.5 Ų78.520%0.19638%0.376CS..THydrogen-bonded Turntrans77-0.1179.400000115.1W32 A45 E46W32-G34 PolarHBondContact O-N 3.35Å; G34-A45 CarbonylContact O-C 3.55Å; G34-A45 VanDerWaalsContact O-CA 3.29Å; G34-A45 WeakPolarHBondContact O-CA 3.47Å; G34-E46 WeakPolarHBondContact CA-O 3.26Å; G34-E46 PolarHBondContact O-N 2.95Å
35V94.8Very high88Confident9 Ų976 Ų766%0.05536%0.356CS..EExtended strand (participates in β ladder)trans-102.5130.4-179.8-179.60000110.8W32 T33 W43 A64 A67 A68W32-V35 HydrophobicContact CB-CB 4.05Å; W32-V35 HydrophobicContact CB-CG2 3.88Å; W32-V35 PolarHBondContact O-N 3.14Å; W32-V35 VanDerWaalsContact O-N 3.11Å; T33-V35 PolarHBondContact O-N 3.49Å; V35-W43 HydrophobicContact CG1-CD2 4.4Å; V35-W43 HydrophobicContact CG1-CE3 3.44Å; V35-W43 VanDerWaalsContact CG1-CE3 3.44Å; V35-W43 HydrophobicContact CG1-CZ3 3.96Å; V35-A64 HydrophobicContact CG1-CB 4.49Å; V35-A67 HydrophobicContact CG1-CB 3.97Å; V35-A67 HydrophobicContact CG2-CB 3.93Å; V35-A68 HydrophobicContact CG2-CB 3.74Å
36R92.9Very high88.7Confident104 Ų10471.3 Ų71.339%0.39234%0.34SS..EExtended strand (participates in β ladder)trans-129.9139.1174.866.1-174.6-172.2175.57.5110.9A44 E46R36-A44 HydrophobicContact CG-CB 3.78Å; R36-A44 PolarHBondContact N-O 3.5Å; R36-A44 PolarHBondContact O-N 2.86Å; R36-E46 WeakPolarHBondContact CD-OE2 3.3Å; R36-E46 IonicContact CZ-OE2 2.68Å; R36-E46 VanDerWaalsContact CZ-OE2 3.26Å; R36-E46 IonicContact NE-OE2 3.59Å; R36-E46 PolarHBondContact NE-OE2 3.22Å; R36-E46 IonicContact NH1-OE2 3.67Å; R36-E46 PolarHBondContact NH1-OE2 3.26Å
37F90.8Very high89.3Confident63 Ų6368.3 Ų68.328%0.27633%0.329SS..EExtended strand (participates in β ladder)trans-91.1126170.4-167.8-110.7000110.7W43F37-W43 HydrophobicContact CB-CE3 3.96Å; F37-W43 HydrophobicContact CB-CH2 3.99Å; F37-W43 HydrophobicContact CB-CZ3 3.67Å; F37-W43 AromaticContact CD2-CD2 3.68Å; F37-W43 HydrophobicContact CD2-CD2 3.68Å; F37-W43 AromaticContact CD2-CE2 3.46Å; F37-W43 VanDerWaalsContact CD2-CE2 3.46Å; F37-W43 AromaticContact CD2-CE3 3.95Å; F37-W43 HydrophobicContact CD2-CE3 3.95Å; F37-W43 HydrophobicContact CD2-CG 4.29Å; F37-W43 AromaticContact CD2-CH2 3.88Å; F37-W43 HydrophobicContact CD2-CH2 3.88Å; F37-W43 AromaticContact CD2-CZ2 3.58Å; F37-W43 HydrophobicContact CD2-CZ2 3.58Å; F37-W43 HydrophobicContact CD2-CZ3 4.06Å; F37-W43 AromaticContact CD2-NE1 3.95Å; F37-W43 HydrophobicContact CE2-CD2 4.45Å; F37-W43 AromaticContact CE2-CE2 3.92Å; F37-W43 HydrophobicContact CE2-CZ2 4.09Å; F37-W43 AromaticContact CE2-NE1 3.99Å; F37-W43 HydrophobicContact CG-CE3 4.46Å; F37-W43 HydrophobicContact CG-CH2 4.19Å; F37-W43 HydrophobicContact CG-CZ2 4.31Å; F37-W43 HydrophobicContact CG-CZ3 4.28Å
38R90.6Very high90Very high148 Ų14869.5 Ų69.556%0.55833%0.33SS*.  trans-97.7147.7173.3-168.4171.8-177.61742110.1W40 G41 K42R38-W40 HydrophobicContact CG-CB 4.36Å; R38-W40 PolarHBondContact O-N 3.32Å; R38-G41 PolarHBondContact O-N 3.41Å; R38-K42 PolarHBondContact N-O 2.98Å
39H87.2Confident90.6Very high165 Ų16562.8 Ų62.876%0.76430%0.302SS*.THydrogen-bonded Turntrans-55.3-20.4175.368.585.6000114.1G41H39-G41 PolarHBondContact O-N 2.87Å
40W86.2Confident91.1Very high202 Ų20263.4 Ų63.477%0.76531%0.308SS*.THydrogen-bonded Turntrans-65.8-11.7172-177.2-112.1000113.6R38R38-W40 HydrophobicContact CG-CB 4.36Å; R38-W40 PolarHBondContact O-N 3.32Å
41G86.7Confident91.6Very high40 Ų4073.8 Ų73.841%0.41234%0.341SS..SBendtrans90.413.1177.500000114.6R38 H39R38-G41 PolarHBondContact O-N 3.41Å; H39-G41 PolarHBondContact O-N 2.87Å
42K92.3Very high91.9Very high72 Ų7272.6 Ų72.631%0.31333%0.329SS..  trans-114.2150.7173.4-65.4-71.2-172.8174.10110.9R38 E62R38-K42 PolarHBondContact N-O 2.98Å; K42-E62 HydrophobicContact CD-CG 4.36Å; K42-E62 IonicContact NZ-OE1 3.57Å; K42-E62 PolarHBondContact NZ-OE1 3.22Å; K42-E62 VanDerWaalsContact NZ-OE1 3.13Å
43W93.7Very high91.8Very high13 Ų1381.5 Ų81.55%0.04936%0.363CS..EExtended strand (participates in β ladder)trans-85.5140.3171-61.690000109.1R26 L29 V35 F37 T60 F61 A64 A67R26-W43 HydrophobicContact CB-CH2 4.22Å; R26-W43 HydrophobicContact CB-CZ2 4.38Å; R26-W43 HydrophobicContact CG-CZ2 4.26Å; R26-W43 VanDerWaalsContact O-CH2 3.29Å; R26-W43 WeakPolarHBondContact O-CH2 3.49Å; L29-W43 HydrophobicContact CB-CH2 3.5Å; L29-W43 HydrophobicContact CB-CZ2 4.11Å; L29-W43 HydrophobicContact CB-CZ3 4.09Å; L29-W43 HydrophobicContact CD1-CH2 4.43Å; L29-W43 HydrophobicContact CD1-CZ2 4.24Å; V35-W43 HydrophobicContact CG1-CD2 4.4Å; V35-W43 HydrophobicContact CG1-CE3 3.44Å; V35-W43 VanDerWaalsContact CG1-CE3 3.44Å; V35-W43 HydrophobicContact CG1-CZ3 3.96Å; F37-W43 HydrophobicContact CB-CE3 3.96Å; F37-W43 HydrophobicContact CB-CH2 3.99Å; F37-W43 HydrophobicContact CB-CZ3 3.67Å; F37-W43 AromaticContact CD2-CD2 3.68Å; F37-W43 HydrophobicContact CD2-CD2 3.68Å; F37-W43 AromaticContact CD2-CE2 3.46Å; F37-W43 VanDerWaalsContact CD2-CE2 3.46Å; F37-W43 AromaticContact CD2-CE3 3.95Å; F37-W43 HydrophobicContact CD2-CE3 3.95Å; F37-W43 HydrophobicContact CD2-CG 4.29Å; F37-W43 AromaticContact CD2-CH2 3.88Å; F37-W43 HydrophobicContact CD2-CH2 3.88Å; F37-W43 AromaticContact CD2-CZ2 3.58Å; F37-W43 HydrophobicContact CD2-CZ2 3.58Å; F37-W43 HydrophobicContact CD2-CZ3 4.06Å; F37-W43 AromaticContact CD2-NE1 3.95Å; F37-W43 HydrophobicContact CE2-CD2 4.45Å; F37-W43 AromaticContact CE2-CE2 3.92Å; F37-W43 HydrophobicContact CE2-CZ2 4.09Å; F37-W43 AromaticContact CE2-NE1 3.99Å; F37-W43 HydrophobicContact CG-CE3 4.46Å; F37-W43 HydrophobicContact CG-CH2 4.19Å; F37-W43 HydrophobicContact CG-CZ2 4.31Å; F37-W43 HydrophobicContact CG-CZ3 4.28Å; W43-T60 CarbonylContact O-C 3.58Å; W43-T60 VanDerWaalsContact O-CA 3.23Å; W43-T60 WeakPolarHBondContact O-CA 3.29Å; W43-F61 HydrophobicContact CB-CB 4.5Å; W43-F61 PolarHBondContact N-O 3.15Å; W43-F61 PolarHBondContact O-N 3.47Å; W43-A64 HydrophobicContact CD2-CB 3.52Å; W43-A64 HydrophobicContact CE3-CB 3.68Å; W43-A64 HydrophobicContact CG-CB 4.14Å; W43-A64 HydrophobicContact CH2-CB 3.84Å; W43-A64 HydrophobicContact CZ2-CB 3.72Å; W43-A64 HydrophobicContact CZ3-CB 3.82Å; W43-A67 HydrophobicContact CB-CB 3.9Å
44A94.8Very high91.9Very high4 Ų485.2 Ų85.23%0.03338%0.376CS..EExtended strand (participates in β ladder)trans-121.2139.1173.200000109.5R36 G59 T60R36-A44 HydrophobicContact CG-CB 3.78Å; R36-A44 PolarHBondContact N-O 3.5Å; R36-A44 PolarHBondContact O-N 2.86Å; A44-G59 WeakPolarHBondContact CA-O 3.39Å; A44-T60 HydrophobicContact CB-CG2 4.17Å
45A96.2Very high91.9Very high0 Ų090.2 Ų90.20%039%0.392CS..EExtended strand (participates in β ladder)trans-103.5132.417200000110.1G34 I58 G59 F61 A67 A70G34-A45 CarbonylContact O-C 3.55Å; G34-A45 VanDerWaalsContact O-CA 3.29Å; G34-A45 WeakPolarHBondContact O-CA 3.47Å; A45-I58 HydrophobicContact CB-CB 4.2Å; A45-I58 HydrophobicContact CB-CD1 4.07Å; A45-I58 WeakPolarHBondContact O-CB 3.43Å; A45-I58 PolarHBondContact O-N 3.29Å; A45-G59 PolarHBondContact N-O 2.86Å; A45-G59 VanDerWaalsContact N-O 3.13Å; A45-F61 HydrophobicContact CB-CD2 4.15Å; A45-F61 HydrophobicContact CB-CE2 3.65Å; A45-A67 HydrophobicContact CB-CB 4.32Å; A45-A67 WeakPolarHBondContact CB-O 3.41Å; A45-A70 HydrophobicContact CB-CB 4.33Å
46E95.2Very high91.9Very high48 Ų4890.5 Ų90.522%0.22439%0.393CS..EExtended strand (participates in β ladder)trans-134.4144.8177.862176-130.800111.9G34 R36 K55 L56 Y71G34-E46 WeakPolarHBondContact CA-O 3.26Å; G34-E46 PolarHBondContact O-N 2.95Å; R36-E46 WeakPolarHBondContact CD-OE2 3.3Å; R36-E46 IonicContact CZ-OE2 2.68Å; R36-E46 VanDerWaalsContact CZ-OE2 3.26Å; R36-E46 IonicContact NE-OE2 3.59Å; R36-E46 PolarHBondContact NE-OE2 3.22Å; R36-E46 IonicContact NH1-OE2 3.67Å; R36-E46 PolarHBondContact NH1-OE2 3.26Å; E46-K55 IonicContact OE1-NZ 3.5Å; E46-L56 CarbonylContact C-O 3.49Å; E46-L56 VanDerWaalsContact CA-O 3.29Å; E46-L56 WeakPolarHBondContact CA-O 3.43Å; E46-Y71 VanDerWaalsContact O-CD2 3.24Å; E46-Y71 WeakPolarHBondContact O-CD2 3.43Å; E46-Y71 VanDerWaalsContact O-CE2 3.27Å; E46-Y71 WeakPolarHBondContact O-CE2 3.44Å
47I94.6Very high92Very high5 Ų591.7 Ų91.73%0.02640%0.398CS..EExtended strand (participates in β ladder)trans-135.6149.3178.4-171.7160.1000110.4L56 I58 Y71 A74 V75 F78 Y79I47-L56 HydrophobicContact CG2-CB 3.85Å; I47-L56 HydrophobicContact CG2-CD2 3.89Å; I47-L56 HydrophobicContact CG2-CG 4.25Å; I47-L56 PolarHBondContact N-O 2.73Å; I47-L56 PolarHBondContact O-N 3.21Å; I47-I58 HydrophobicContact CB-CD1 4.06Å; I47-I58 HydrophobicContact CB-CG1 4.49Å; I47-I58 HydrophobicContact CG2-CD1 3.83Å; I47-I58 HydrophobicContact CG2-CG1 3.79Å; I47-Y71 HydrophobicContact CB-CD2 4.19Å; I47-Y71 HydrophobicContact CB-CE2 3.98Å; I47-Y71 HydrophobicContact CD1-CE2 4.18Å; I47-Y71 HydrophobicContact CG1-CE2 4Å; I47-A74 HydrophobicContact CD1-CB 3.97Å; I47-A74 HydrophobicContact CG2-CB 4.31Å; I47-V75 HydrophobicContact CD1-CB 4.37Å; I47-V75 HydrophobicContact CD1-CG2 3.63Å; I47-F78 HydrophobicContact CD1-CD2 3.83Å; I47-F78 HydrophobicContact CD1-CE2 4.37Å; I47-F78 HydrophobicContact CG1-CD2 4.43Å; I47-F78 HydrophobicContact CG2-CD2 4.39Å; I47-F78 HydrophobicContact CG2-CE2 3.86Å; I47-Y79 HydrophobicContact CD1-CE2 4.46Å
48R93.9Very high92.2Very high119 Ų11988.8 Ų88.845%0.44939%0.386SS..EExtended strand (participates in β ladder)trans-88.9124.5169.1-73.8-175.4176.397.5-9.9108.9K55 Y79R48-K55 HydrophobicContact CG-CG 4.14Å; R48-Y79 PolarHBondContact O-OH 3.05Å
49V92.4Very high92.4Very high22 Ų2281.9 Ų81.913%0.13336%0.36CS..PPolyproline II helixtrans-67.6136.8179.8177.30000108.6T52 E54 L56 F78V49-T52 WeakPolarHBondContact CB-OG1 3.49Å; V49-T52 HydrophobicContact CG1-CG2 4.25Å; V49-E54 PolarHBondContact N-O 2.99Å; V49-L56 HydrophobicContact CG2-CB 3.75Å; V49-L56 HydrophobicContact CG2-CD2 4.39Å; V49-F78 HydrophobicContact CG1-CE1 4.32Å; V49-F78 HydrophobicContact CG2-CZ 4.26Å
50P90.7Very high92.8Very high40 Ų4077.5 Ų77.526%0.2635%0.345SS..THydrogen-bonded Turntrans-60.9148.5177.526.7-35.9000110.9T52 F78 Y79P50-T52 PolarHBondContact O-N 3.18Å; P50-F78 HydrophobicContact CG-CB 4.06Å; P50-F78 HydrophobicContact CG-CD1 3.86Å; P50-F78 HydrophobicContact CG-CG 4.18Å; P50-Y79 HydrophobicContact CB-CE1 4Å
51R88Confident93.3Very high261 Ų26168.1 Ų68.199%0.98531%0.31SS*.THydrogen-bonded Turntrans63.4-13179.5-53.1177.6-179.8170.5-0.4116.1
52T91.3Very high93.5Very high68 Ų6873 Ų7342%0.41732%0.322SS..SBendtrans-107.7163.9173.7800000110.8V49 P50 E54V49-T52 WeakPolarHBondContact CB-OG1 3.49Å; V49-T52 HydrophobicContact CG1-CG2 4.25Å; P50-T52 PolarHBondContact O-N 3.18Å; T52-E54 VanDerWaalsContact C-N 3.29Å; T52-E54 PolarHBondContact OG1-N 2.72Å
53R90.4Very high93.5Very high249 Ų24970.5 Ų70.594%0.9431%0.313SS*.  trans-91.93.3172.8-65.4-179179.3170.80.3112.2
54E94Very high93.5Very high138 Ų13870 Ų7065%0.64531%0.312SS*.PPolyproline II helixtrans-82143-170.9-62.3-175.2170.100111.4V49 T52V49-E54 PolarHBondContact N-O 2.99Å; T52-E54 VanDerWaalsContact C-N 3.29Å; T52-E54 PolarHBondContact OG1-N 2.72Å
55K94Very high93.4Very high124 Ų12471.6 Ų71.654%0.53932%0.317SS..EExtended strand (participates in β ladder)trans-96122.5171.8-67.8-174.3178.1-168.60108.7E46 R48E46-K55 IonicContact OE1-NZ 3.5Å; R48-K55 HydrophobicContact CG-CG 4.14Å
56L94.2Very high93.4Very high15 Ų1572.6 Ų72.68%0.07932%0.322CS..EExtended strand (participates in β ladder)trans-89.3119.6171.3-178.264.3000109.8E46 I47 V49 I58 F78 V109 K113E46-L56 CarbonylContact C-O 3.49Å; E46-L56 VanDerWaalsContact CA-O 3.29Å; E46-L56 WeakPolarHBondContact CA-O 3.43Å; I47-L56 HydrophobicContact CG2-CB 3.85Å; I47-L56 HydrophobicContact CG2-CD2 3.89Å; I47-L56 HydrophobicContact CG2-CG 4.25Å; I47-L56 PolarHBondContact N-O 2.73Å; I47-L56 PolarHBondContact O-N 3.21Å; V49-L56 HydrophobicContact CG2-CB 3.75Å; V49-L56 HydrophobicContact CG2-CD2 4.39Å; L56-I58 PolarHBondContact O-N 3.45Å; L56-F78 HydrophobicContact CD2-CE2 3.88Å; L56-F78 HydrophobicContact CD2-CZ 3.79Å; L56-V109 HydrophobicContact CD1-CG1 3.28Å; L56-V109 HydrophobicContact CD2-CG1 3.74Å; L56-V109 HydrophobicContact CG-CG1 4.12Å; L56-K113 HydrophobicContact CD1-CD 4.47Å; L56-K113 HydrophobicContact CD2-CG 4.47Å
57W94.2Very high93.4Very high129 Ų12970.3 Ų70.349%0.48931%0.311SS..EExtended strand (participates in β ladder)trans-79112.3162.817538.2000108.7G59 T60 K113W57-G59 VanDerWaalsContact NE1-C 3.26Å; W57-G59 PolarHBondContact NE1-O 3.22Å; W57-T60 HydrophobicContact CZ2-CG2 3.62Å; W57-K113 WeakPolarHBondContact O-CE 3.06Å; W57-K113 PolarHBondContact O-NZ 3Å
58I95.7Very high93.5Very high3 Ų370 Ų702%0.01531%0.31CS..EExtended strand (participates in β ladder)trans-71.6-56.4-177.3-60.3166000109.1A45 I47 L56 A70 Y71 A74 A116A45-I58 HydrophobicContact CB-CB 4.2Å; A45-I58 HydrophobicContact CB-CD1 4.07Å; A45-I58 WeakPolarHBondContact O-CB 3.43Å; A45-I58 PolarHBondContact O-N 3.29Å; I47-I58 HydrophobicContact CB-CD1 4.06Å; I47-I58 HydrophobicContact CB-CG1 4.49Å; I47-I58 HydrophobicContact CG2-CD1 3.83Å; I47-I58 HydrophobicContact CG2-CG1 3.79Å; L56-I58 PolarHBondContact O-N 3.45Å; I58-A70 HydrophobicContact CG2-CB 4.31Å; I58-Y71 HydrophobicContact CD1-CD2 4.43Å; I58-A74 HydrophobicContact CD1-CB 3.54Å; I58-A74 HydrophobicContact CG1-CB 4.19Å; I58-A116 HydrophobicContact CG2-CB 3.82Å
59G95.5Very high93.6Very high3 Ų364.5 Ų64.53%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-179.7-176-177.400000112.9A44 A45 W57A44-G59 WeakPolarHBondContact CA-O 3.39Å; A45-G59 PolarHBondContact N-O 2.86Å; A45-G59 VanDerWaalsContact N-O 3.13Å; W57-G59 VanDerWaalsContact NE1-C 3.26Å; W57-G59 PolarHBondContact NE1-O 3.22Å
60T95.7Very high93.8Very high73 Ų7363.4 Ų63.445%0.44828%0.283SS..EExtended strand (participates in β ladder)trans-119.6140.3173.142.90000111.1W43 A44 W57W43-T60 CarbonylContact O-C 3.58Å; W43-T60 VanDerWaalsContact O-CA 3.23Å; W43-T60 WeakPolarHBondContact O-CA 3.29Å; A44-T60 HydrophobicContact CB-CG2 4.17Å; W57-T60 HydrophobicContact CZ2-CG2 3.62Å
61F95.1Very high94.1Very high4 Ų461.9 Ų61.92%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-133.9157.5-169.1-56.3-79.7000110.9W43 A45 Q66 A67 A70 E117 A120W43-F61 HydrophobicContact CB-CB 4.5Å; W43-F61 PolarHBondContact N-O 3.15Å; W43-F61 PolarHBondContact O-N 3.47Å; A45-F61 HydrophobicContact CB-CD2 4.15Å; A45-F61 HydrophobicContact CB-CE2 3.65Å; F61-Q66 HydrophobicContact CB-CB 4.18Å; F61-Q66 HydrophobicContact CB-CG 4.24Å; F61-Q66 HydrophobicContact CD1-CB 4.38Å; F61-Q66 HydrophobicContact CD1-CG 3.63Å; F61-Q66 HydrophobicContact CE1-CG 4.4Å; F61-Q66 HydrophobicContact CG-CG 4.22Å; F61-A67 HydrophobicContact CB-CB 4.01Å; F61-A67 VanDerWaalsContact CD2-CA 3.45Å; F61-A67 HydrophobicContact CD2-CB 3.63Å; F61-A67 HydrophobicContact CG-CB 4.08Å; F61-A70 HydrophobicContact CD2-CB 4.48Å; F61-A70 HydrophobicContact CE1-CB 3.85Å; F61-A70 HydrophobicContact CE2-CB 3.57Å; F61-A70 HydrophobicContact CZ-CB 3.18Å; F61-E117 HydrophobicContact CE1-CG 4.29Å; F61-E117 HydrophobicContact CZ-CG 4.07Å; F61-A120 HydrophobicContact CE1-CB 4.18Å
62E91.7Very high94.4Very high143 Ų14349.9 Ų49.967%0.66823%0.227SC*.SBendtrans-84.4-38-179.5-81.4150.6-163.700112.2K42K42-E62 HydrophobicContact CD-CG 4.36Å; K42-E62 IonicContact NZ-OE1 3.57Å; K42-E62 PolarHBondContact NZ-OE1 3.22Å; K42-E62 VanDerWaalsContact NZ-OE1 3.13Å
63S91.9Very high94.7Very high19 Ų1946.7 Ų46.713%0.13321%0.208CC..SBendtrans-103.1145.2175.3177.60000110.8R65 Q66 A67S63-R65 PolarHBondContact O-N 3.27Å; S63-R65 WeakPolarHBondContact OG-CB 3.45Å; S63-R65 PolarHBondContact OG-N 3.24Å; S63-R65 VanDerWaalsContact OG-N 3.08Å; S63-Q66 PolarHBondContact O-N 2.84Å; S63-A67 PolarHBondContact O-N 2.78Å; S63-A67 VanDerWaalsContact O-N 3.11Å
64A93.5Very high94.9Very high3 Ų334.8 Ų34.83%0.02516%0.163CC..Hα-helixtrans-61.2-32.3168.400000111.2L29 W32 V35 W43 A67 A68L29-A64 HydrophobicContact CB-CB 3.7Å; L29-A64 HydrophobicContact CD1-CB 4.19Å; L29-A64 HydrophobicContact CD2-CB 4.37Å; L29-A64 HydrophobicContact CG-CB 4.3Å; W32-A64 HydrophobicContact CE3-CB 3.67Å; W32-A64 HydrophobicContact CH2-CB 4.5Å; W32-A64 HydrophobicContact CZ3-CB 3.34Å; W32-A64 WeakPolarHBondContact CZ3-O 3.44Å; V35-A64 HydrophobicContact CG1-CB 4.49Å; W43-A64 HydrophobicContact CD2-CB 3.52Å; W43-A64 HydrophobicContact CE3-CB 3.68Å; W43-A64 HydrophobicContact CG-CB 4.14Å; W43-A64 HydrophobicContact CH2-CB 3.84Å; W43-A64 HydrophobicContact CZ2-CB 3.72Å; W43-A64 HydrophobicContact CZ3-CB 3.82Å; A64-A67 PolarHBondContact O-N 3.42Å; A64-A68 PolarHBondContact O-N 2.83Å
65R93.4Very high94.9Very high37 Ų3728.3 Ų28.314%0.1413%0.132CC..Hα-helixtrans-68.4-48.7-176.9-178.1-166.3-75.2170.8-1.9108.9W32 S63 A67 A68 L69 F91 D124 L127 P128 M130W32-R65 HydrophobicContact CH2-CB 4.14Å; W32-R65 HydrophobicContact CZ3-CB 4.15Å; W32-R65 VanDerWaalsContact CZ3-N 3.28Å; S63-R65 PolarHBondContact O-N 3.27Å; S63-R65 WeakPolarHBondContact OG-CB 3.45Å; S63-R65 PolarHBondContact OG-N 3.24Å; S63-R65 VanDerWaalsContact OG-N 3.08Å; R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 2.82Å; R65-A68 CarbonylContact O-C 3.6Å; R65-A68 WeakPolarHBondContact O-CB 3.27Å; R65-A68 PolarHBondContact O-N 2.95Å; R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CG 3.43Å; R65-L69 PolarHBondContact O-N 2.79Å; R65-F91 HydrophobicContact CG-CE2 4.21Å; R65-F91 HydrophobicContact CG-CZ 3.95Å; R65-D124 VanDerWaalsContact CD-OD1 3.3Å; R65-D124 WeakPolarHBondContact CD-OD1 3.28Å; R65-L127 VanDerWaalsContact NH1-CB 3.32Å; R65-P128 PolarHBondContact NH1-O 3.02Å; R65-M130 HydrophobicContact CB-CG 3.98Å; R65-M130 HydrophobicContact CB-SD 4.37Å; R65-M130 PolarHBondContact NE-SD 3.48Å; R65-M130 PolarHBondContact NH2-SD 2.99Å
66Q95.2Very high95Very high21 Ų2123 Ų2310%0.09811%0.109CC..Hα-helixtrans-55-43.9173.2-165.6-177.343.900111.9F61 S63 A68 L69 A70 A120 D124F61-Q66 HydrophobicContact CB-CB 4.18Å; F61-Q66 HydrophobicContact CB-CG 4.24Å; F61-Q66 HydrophobicContact CD1-CB 4.38Å; F61-Q66 HydrophobicContact CD1-CG 3.63Å; F61-Q66 HydrophobicContact CE1-CG 4.4Å; F61-Q66 HydrophobicContact CG-CG 4.22Å; S63-Q66 PolarHBondContact O-N 2.84Å; Q66-A68 PolarHBondContact O-N 3.35Å; Q66-L69 PolarHBondContact O-N 3.36Å; Q66-A70 PolarHBondContact O-N 3.36Å; Q66-A120 HydrophobicContact CG-CB 4.1Å; Q66-A120 WeakPolarHBondContact O-CB 3.38Å; Q66-D124 HydrophobicContact CB-CB 4.23Å; Q66-D124 HydrophobicContact CG-CB 4.15Å
67A96.1Very high95Very high0 Ų022.4 Ų22.40%011%0.106CC..Hα-helixtrans-61.6-41.6174.700000113V35 W43 A45 F61 S63 A64 R65 A70 Y71V35-A67 HydrophobicContact CG1-CB 3.97Å; V35-A67 HydrophobicContact CG2-CB 3.93Å; W43-A67 HydrophobicContact CB-CB 3.9Å; A45-A67 HydrophobicContact CB-CB 4.32Å; A45-A67 WeakPolarHBondContact CB-O 3.41Å; F61-A67 HydrophobicContact CB-CB 4.01Å; F61-A67 VanDerWaalsContact CD2-CA 3.45Å; F61-A67 HydrophobicContact CD2-CB 3.63Å; F61-A67 HydrophobicContact CG-CB 4.08Å; S63-A67 PolarHBondContact O-N 2.78Å; S63-A67 VanDerWaalsContact O-N 3.11Å; A64-A67 PolarHBondContact O-N 3.42Å; R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 2.82Å; A67-A70 PolarHBondContact O-N 2.75Å; A67-Y71 PolarHBondContact O-N 3.07Å
68A95.7Very high94.9Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-67.5-37.517700000112.1W32 V35 A64 R65 Q66 Y71 D72 N90 F91W32-A68 HydrophobicContact CB-CB 4.14Å; W32-A68 HydrophobicContact CD2-CB 4.15Å; W32-A68 HydrophobicContact CE3-CB 3.97Å; W32-A68 HydrophobicContact CG-CB 4.26Å; V35-A68 HydrophobicContact CG2-CB 3.74Å; A64-A68 PolarHBondContact O-N 2.83Å; R65-A68 CarbonylContact O-C 3.6Å; R65-A68 WeakPolarHBondContact O-CB 3.27Å; R65-A68 PolarHBondContact O-N 2.95Å; Q66-A68 PolarHBondContact O-N 3.35Å; A68-Y71 WeakPolarHBondContact O-CB 3.32Å; A68-Y71 PolarHBondContact O-N 3.31Å; A68-D72 PolarHBondContact O-N 3.5Å; A68-N90 HydrophobicContact CB-CB 4.21Å; A68-F91 HydrophobicContact CB-CD2 4.35Å; A68-F91 HydrophobicContact CB-CE2 3.47Å; A68-F91 VanDerWaalsContact CB-CE2 3.47Å; A68-F91 HydrophobicContact CB-CZ 4.14Å
69L96.1Very high94.8Very high2 Ų219.9 Ų19.91%0.0110%0.098CC..Hα-helixtrans-63.8-41.1173.3-71.8169.1000111.8R65 Q66 Y71 D72 A73 F91 M94 A120 V123 D124 L127R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CG 3.43Å; R65-L69 PolarHBondContact O-N 2.79Å; Q66-L69 PolarHBondContact O-N 3.36Å; L69-Y71 VanDerWaalsContact C-N 3.31Å; L69-Y71 PolarHBondContact O-N 3.08Å; L69-D72 PolarHBondContact O-N 3.03Å; L69-A73 PolarHBondContact O-N 2.85Å; L69-F91 HydrophobicContact CD2-CD2 3.69Å; L69-F91 HydrophobicContact CD2-CE2 4.22Å; L69-F91 HydrophobicContact CD2-CG 4.39Å; L69-F91 HydrophobicContact CG-CD2 4.09Å; L69-F91 HydrophobicContact CG-CE2 4.13Å; L69-M94 HydrophobicContact CD2-CB 4.22Å; L69-M94 HydrophobicContact CD2-CG 3.94Å; L69-A120 HydrophobicContact CB-CB 4.13Å; L69-V123 HydrophobicContact CD1-CB 4.17Å; L69-V123 HydrophobicContact CD1-CG1 3.88Å; L69-V123 HydrophobicContact CD2-CG1 3.91Å; L69-D124 HydrophobicContact CD1-CB 3.98Å; L69-L127 HydrophobicContact CD1-CD1 4.28Å
70A97.1Very high94.5Very high0 Ų019.9 Ų19.90%010%0.098CC..Hα-helixtrans-63.1-39.7174.900000111.8A45 I58 F61 Q66 A67 A74 A116 A120A45-A70 HydrophobicContact CB-CB 4.33Å; I58-A70 HydrophobicContact CG2-CB 4.31Å; F61-A70 HydrophobicContact CD2-CB 4.48Å; F61-A70 HydrophobicContact CE1-CB 3.85Å; F61-A70 HydrophobicContact CE2-CB 3.57Å; F61-A70 HydrophobicContact CZ-CB 3.18Å; Q66-A70 PolarHBondContact O-N 3.36Å; A67-A70 PolarHBondContact O-N 2.75Å; A70-A74 WeakPolarHBondContact O-CB 3.33Å; A70-A74 PolarHBondContact O-N 3.41Å; A70-A116 WeakPolarHBondContact O-CB 3.44Å; A70-A120 HydrophobicContact CB-CB 3.68Å
71Y96.6Very high94Very high7 Ų724 Ų243%0.02711%0.112CC..Hα-helixtrans-61.1-46.6173.1179.3-98.2000111.6T33 E46 I47 I58 A67 A68 L69 A73 A74 V75 R87T33-Y71 HydrophobicContact CG2-CE1 3.66Å; T33-Y71 WeakPolarHBondContact CG2-OH 3.29Å; T33-Y71 VanDerWaalsContact O-CD1 3.28Å; T33-Y71 WeakPolarHBondContact O-CD1 3.43Å; E46-Y71 VanDerWaalsContact O-CD2 3.24Å; E46-Y71 WeakPolarHBondContact O-CD2 3.43Å; E46-Y71 VanDerWaalsContact O-CE2 3.27Å; E46-Y71 WeakPolarHBondContact O-CE2 3.44Å; I47-Y71 HydrophobicContact CB-CD2 4.19Å; I47-Y71 HydrophobicContact CB-CE2 3.98Å; I47-Y71 HydrophobicContact CD1-CE2 4.18Å; I47-Y71 HydrophobicContact CG1-CE2 4Å; I58-Y71 HydrophobicContact CD1-CD2 4.43Å; A67-Y71 PolarHBondContact O-N 3.07Å; A68-Y71 WeakPolarHBondContact O-CB 3.32Å; A68-Y71 PolarHBondContact O-N 3.31Å; L69-Y71 VanDerWaalsContact C-N 3.31Å; L69-Y71 PolarHBondContact O-N 3.08Å; Y71-A73 VanDerWaalsContact C-N 3.34Å; Y71-A73 PolarHBondContact O-N 3.41Å; Y71-A74 PolarHBondContact O-N 3.24Å; Y71-V75 HydrophobicContact CD1-CG2 3.94Å; Y71-V75 HydrophobicContact CE1-CG2 3.5Å; Y71-V75 VanDerWaalsContact CE1-CG2 3.5Å; Y71-V75 HydrophobicContact CE2-CG2 4.21Å; Y71-V75 HydrophobicContact CG-CG2 4.48Å; Y71-V75 WeakPolarHBondContact O-CG2 3.41Å; Y71-V75 PolarHBondContact O-N 3.08Å; Y71-R87 WeakPolarHBondContact OH-CD 3.29Å
72D95.8Very high93.5Very high10 Ų1034.3 Ų34.35%0.05315%0.151CC..Hα-helixtrans-63.3-40.1-178.9-68.5-4.8000112.3A68 L69 V75 F76 P89 N90 F91A68-D72 PolarHBondContact O-N 3.5Å; L69-D72 PolarHBondContact O-N 3.03Å; D72-V75 PolarHBondContact O-N 3.49Å; D72-F76 PolarHBondContact O-N 3.15Å; D72-P89 HydrophobicContact CB-CB 4.13Å; D72-P89 VanDerWaalsContact OD1-CA 3.27Å; D72-P89 WeakPolarHBondContact OD1-CA 3.36Å; D72-N90 PolarHBondContact OD1-N 3.25Å; D72-N90 PolarHBondContact OD1-ND2 3.36Å; D72-N90 VanDerWaalsContact OD1-ND2 3.14Å; D72-N90 PolarHBondContact OD2-N 3Å; D72-F91 WeakPolarHBondContact OD2-CD2 3.44Å; D72-F91 PolarHBondContact OD2-N 3.14Å
73A96Very high93.1Very high0 Ų029 Ų290%013%0.131CC..Hα-helixtrans-63.2-44.4173.100000111.7L69 Y71 V75 F76 C77 P97 A116 H119L69-A73 PolarHBondContact O-N 2.85Å; Y71-A73 VanDerWaalsContact C-N 3.34Å; Y71-A73 PolarHBondContact O-N 3.41Å; A73-V75 PolarHBondContact O-N 3.35Å; A73-F76 WeakPolarHBondContact O-CB 3.24Å; A73-F76 PolarHBondContact O-N 3.3Å; A73-C77 PolarHBondContact O-N 2.95Å; A73-C77 PolarHBondContact O-SG 3.39Å; A73-P97 HydrophobicContact CB-CG 4.2Å; A73-A116 HydrophobicContact CB-CB 4.09Å; A73-H119 HydrophobicContact CB-CB 4.22Å
74A95.8Very high92.8Very high0 Ų031 Ų310%014%0.144CC..Hα-helixtrans-65.1-38.617700000112.3I47 I58 A70 Y71 F76 C77 F78 V112 A116I47-A74 HydrophobicContact CD1-CB 3.97Å; I47-A74 HydrophobicContact CG2-CB 4.31Å; I58-A74 HydrophobicContact CD1-CB 3.54Å; I58-A74 HydrophobicContact CG1-CB 4.19Å; A70-A74 WeakPolarHBondContact O-CB 3.33Å; A70-A74 PolarHBondContact O-N 3.41Å; Y71-A74 PolarHBondContact O-N 3.24Å; A74-F76 VanDerWaalsContact C-N 3.33Å; A74-C77 PolarHBondContact O-N 3.38Å; A74-F78 WeakPolarHBondContact O-CD2 3.27Å; A74-F78 PolarHBondContact O-N 3.5Å; A74-V112 HydrophobicContact CB-CG1 4.14Å; A74-A116 HydrophobicContact CB-CB 4.18Å
75V94.6Very high92.3Very high1 Ų140.9 Ų40.91%0.00619%0.186CC..Hα-helixtrans-59.6-46.6172.8169.40000110.1I47 Y71 D72 A73 F78 Y79 A83 R87I47-V75 HydrophobicContact CD1-CB 4.37Å; I47-V75 HydrophobicContact CD1-CG2 3.63Å; Y71-V75 HydrophobicContact CD1-CG2 3.94Å; Y71-V75 HydrophobicContact CE1-CG2 3.5Å; Y71-V75 VanDerWaalsContact CE1-CG2 3.5Å; Y71-V75 HydrophobicContact CE2-CG2 4.21Å; Y71-V75 HydrophobicContact CG-CG2 4.48Å; Y71-V75 WeakPolarHBondContact O-CG2 3.41Å; Y71-V75 PolarHBondContact O-N 3.08Å; D72-V75 PolarHBondContact O-N 3.49Å; A73-V75 PolarHBondContact O-N 3.35Å; V75-F78 PolarHBondContact O-N 3.36Å; V75-Y79 HydrophobicContact CG1-CD2 4.05Å; V75-Y79 WeakPolarHBondContact O-CD2 3.24Å; V75-Y79 PolarHBondContact O-N 3.31Å; V75-A83 HydrophobicContact CG1-CB 3.75Å; V75-R87 WeakPolarHBondContact CG1-O 3.38Å
76F94.3Very high91.9Very high13 Ų1342.8 Ų42.86%0.05721%0.21CC..Hα-helixtrans-59.5-48.4176.3-177.5-94.8000110.8D72 A73 A74 F78 G80 E81 R96 P97 V99 R104D72-F76 PolarHBondContact O-N 3.15Å; A73-F76 WeakPolarHBondContact O-CB 3.24Å; A73-F76 PolarHBondContact O-N 3.3Å; A74-F76 VanDerWaalsContact C-N 3.33Å; F76-F78 VanDerWaalsContact C-N 3.33Å; F76-F78 PolarHBondContact O-N 2.82Å; F76-G80 WeakPolarHBondContact O-CA 3.29Å; F76-G80 PolarHBondContact O-N 3.31Å; F76-E81 HydrophobicContact CE2-CG 3.97Å; F76-R96 HydrophobicContact CD2-CB 4.19Å; F76-R96 HydrophobicContact CD2-CG 4.04Å; F76-R96 HydrophobicContact CE1-CB 4.43Å; F76-R96 HydrophobicContact CE2-CB 4.06Å; F76-R96 HydrophobicContact CE2-CG 4.01Å; F76-R96 HydrophobicContact CG-CB 4.42Å; F76-R96 HydrophobicContact CZ-CB 4.17Å; F76-P97 HydrophobicContact CB-CG 4.24Å; F76-P97 HydrophobicContact CD1-CG 3.48Å; F76-P97 VanDerWaalsContact CD1-CG 3.48Å; F76-P97 HydrophobicContact CE1-CG 4.16Å; F76-P97 HydrophobicContact CG-CG 4.15Å; F76-V99 HydrophobicContact CE1-CB 4.45Å; F76-R104 VanDerWaalsContact O-CD 3.24Å; F76-R104 WeakPolarHBondContact O-CD 3.43Å
77C94.6Very high91.4Very high2 Ų244.5 Ų44.51%0.01422%0.215CC..Hα-helixtrans-60-38.3178.6-63.40000113.3A73 A74 R104 L107 V112A73-C77 PolarHBondContact O-N 2.95Å; A73-C77 PolarHBondContact O-SG 3.39Å; A74-C77 PolarHBondContact O-N 3.38Å; C77-R104 VanDerWaalsContact O-CD 3.27Å; C77-R104 WeakPolarHBondContact O-CD 3.24Å; C77-R104 WeakPolarHBondContact O-CG 3.17Å; C77-R104 PolarHBondContact O-NH1 3.08Å; C77-L107 HydrophobicContact CB-CD1 4.15Å; C77-V112 HydrophobicContact CB-CB 4.42Å; C77-V112 HydrophobicContact CB-CG1 3.82Å; C77-V112 HydrophobicContact CB-CG2 3.92Å
78F93.7Very high91Very high30 Ų3051.4 Ų51.413%0.13225%0.245CC..Hα-helixtrans-81-39-179.2-75-57.5000114.4I47 V49 P50 L56 A74 V75 F76 R104 V112I47-F78 HydrophobicContact CD1-CD2 3.83Å; I47-F78 HydrophobicContact CD1-CE2 4.37Å; I47-F78 HydrophobicContact CG1-CD2 4.43Å; I47-F78 HydrophobicContact CG2-CD2 4.39Å; I47-F78 HydrophobicContact CG2-CE2 3.86Å; V49-F78 HydrophobicContact CG1-CE1 4.32Å; V49-F78 HydrophobicContact CG2-CZ 4.26Å; P50-F78 HydrophobicContact CG-CB 4.06Å; P50-F78 HydrophobicContact CG-CD1 3.86Å; P50-F78 HydrophobicContact CG-CG 4.18Å; L56-F78 HydrophobicContact CD2-CE2 3.88Å; L56-F78 HydrophobicContact CD2-CZ 3.79Å; A74-F78 WeakPolarHBondContact O-CD2 3.27Å; A74-F78 PolarHBondContact O-N 3.5Å; V75-F78 PolarHBondContact O-N 3.36Å; F76-F78 VanDerWaalsContact C-N 3.33Å; F76-F78 PolarHBondContact O-N 2.82Å; F78-R104 PolarHBondContact O-NH1 3.3Å; F78-V112 HydrophobicContact CD2-CG1 4.25Å; F78-V112 HydrophobicContact CE1-CG2 4.11Å; F78-V112 HydrophobicContact CE2-CB 4.49Å; F78-V112 HydrophobicContact CE2-CG1 3.67Å; F78-V112 HydrophobicContact CZ-CB 4.13Å; F78-V112 HydrophobicContact CZ-CG1 3.81Å; F78-V112 HydrophobicContact CZ-CG2 4.12Å
79Y91.6Very high90.8Very high49 Ų4952.2 Ų52.219%0.19225%0.251CS..Hα-helixtrans-113.1-13.5-169.5-55.9-84.1000114I47 R48 P50 V75 P84 R87I47-Y79 HydrophobicContact CD1-CE2 4.46Å; R48-Y79 PolarHBondContact O-OH 3.05Å; P50-Y79 HydrophobicContact CB-CE1 4Å; V75-Y79 HydrophobicContact CG1-CD2 4.05Å; V75-Y79 WeakPolarHBondContact O-CD2 3.24Å; V75-Y79 PolarHBondContact O-N 3.31Å; Y79-P84 VanDerWaalsContact CD1-CD 3.42Å; Y79-P84 HydrophobicContact CD1-CG 3.85Å; Y79-P84 HydrophobicContact CE1-CG 3.92Å; Y79-P84 HydrophobicContact CG-CG 4.45Å; Y79-R87 HydrophobicContact CE2-CB 4.34Å; Y79-R87 HydrophobicContact CE2-CG 4.13Å
80G90.7Very high90.6Very high3 Ų353.7 Ų53.73%0.03126%0.259CS..  trans74.3-155.7-175.600000112.6F76 R82 R104F76-G80 WeakPolarHBondContact O-CA 3.29Å; F76-G80 PolarHBondContact O-N 3.31Å; G80-R82 PolarHBondContact O-N 3.11Å; G80-R104 VanDerWaalsContact CA-CZ 3.46Å; G80-R104 VanDerWaalsContact CA-NE 3.34Å; G80-R104 VanDerWaalsContact N-CZ 3.29Å
81E85.1Confident90.4Very high160 Ų16055.9 Ų55.975%0.74827%0.268SS*.SBendtrans-63.5-32.6175.7-65.5-177.217500112.4F76 A83F76-E81 HydrophobicContact CE2-CG 3.97Å; E81-A83 PolarHBondContact O-N 2.96Å
82R83.5Confident90Very high220 Ų22059.9 Ų59.983%0.8330%0.295SS*.SBendtrans-94.863.3-177.5-62.4-176.6-175.2-177.71.2111.2G80G80-R82 PolarHBondContact O-N 3.11Å
83A84.7Confident89.7Confident32 Ų3263.8 Ų63.826%0.26433%0.329SS..  trans-67138172.600000111.4V75 E81V75-A83 HydrophobicContact CG1-CB 3.75Å; E81-A83 PolarHBondContact O-N 2.96Å
84P85.1Confident89.5Confident60 Ų6066.3 Ų66.339%0.3934%0.341SS..  trans-63.2149.2176.925.7-32.7000110.5Y79 A86 R87Y79-P84 VanDerWaalsContact CD1-CD 3.42Å; Y79-P84 HydrophobicContact CD1-CG 3.85Å; Y79-P84 HydrophobicContact CE1-CG 3.92Å; Y79-P84 HydrophobicContact CG-CG 4.45Å; P84-A86 PolarHBondContact O-N 2.91Å; P84-R87 HydrophobicContact CG-CB 4.14Å; P84-R87 HydrophobicContact CG-CG 4.16Å; P84-R87 CarbonylContact O-C 3.56Å; P84-R87 PolarHBondContact O-N 3.18Å
85K83.8Confident89.3Confident212 Ų21269.9 Ų69.992%0.92237%0.365SS*.G310 helixtrans-50.7-31.2-179.2-67.4-176.6-179.5178.10113.4R87K85-R87 PolarHBondContact O-N 2.88Å
86A83.8Confident89.1Confident77 Ų7774.5 Ų74.564%0.63638%0.382SS*.G310 helixtrans-73.4-4.717800000115.2P84P84-A86 PolarHBondContact O-N 2.91Å
87R85.7Confident89Confident56 Ų5674.3 Ų74.321%0.21138%0.382CS..G310 helixtrans-136.154.1-178-63.5-69-175.3-87.4-11.4109.9Y71 V75 Y79 P84 K85Y71-R87 WeakPolarHBondContact OH-CD 3.29Å; V75-R87 WeakPolarHBondContact CG1-O 3.38Å; Y79-R87 HydrophobicContact CE2-CB 4.34Å; Y79-R87 HydrophobicContact CE2-CG 4.13Å; P84-R87 HydrophobicContact CG-CB 4.14Å; P84-R87 HydrophobicContact CG-CG 4.16Å; P84-R87 CarbonylContact O-C 3.56Å; P84-R87 PolarHBondContact O-N 3.18Å; K85-R87 PolarHBondContact O-N 2.88Å
88K86.9Confident88.8Confident145 Ų14584 Ų8463%0.6343%0.427SS*.  trans-70.3133.8179.6-171.4-179.3175.1178.90110.5
89P91.7Very high88.6Confident17 Ų1783.7 Ų83.711%0.1143%0.427CS..  trans-65.2145.317028.5-34.8000110.7D72D72-P89 HydrophobicContact CB-CB 4.13Å; D72-P89 VanDerWaalsContact OD1-CA 3.27Å; D72-P89 WeakPolarHBondContact OD1-CA 3.36Å
90N92.5Very high88.6Confident33 Ų3386.7 Ų86.718%0.17645%0.447CS..SBendtrans-70-36.9179.1-61.3-63.1000111.7T33 A68 D72 P92T33-N90 WeakPolarHBondContact CB-OD1 3.09Å; T33-N90 PolarHBondContact N-OD1 3.32Å; T33-N90 PolarHBondContact O-ND2 3.28Å; T33-N90 PolarHBondContact OG1-OD1 2.86Å; A68-N90 HydrophobicContact CB-CB 4.21Å; D72-N90 PolarHBondContact OD1-N 3.25Å; D72-N90 PolarHBondContact OD1-ND2 3.36Å; D72-N90 VanDerWaalsContact OD1-ND2 3.14Å; D72-N90 PolarHBondContact OD2-N 3Å; N90-P92 WeakPolarHBondContact O-CD 3.38Å
91F92.2Very high88.4Confident47 Ų4791 Ų9121%0.20647%0.466CS..  trans-122.385.2-176.8-52.7-72.5000111.7W32 R65 A68 L69 D72 A93 M94W32-F91 HydrophobicContact CH2-CZ 4.31Å; W32-F91 HydrophobicContact CZ2-CE1 4.45Å; W32-F91 HydrophobicContact CZ2-CZ 4.05Å; R65-F91 HydrophobicContact CG-CE2 4.21Å; R65-F91 HydrophobicContact CG-CZ 3.95Å; A68-F91 HydrophobicContact CB-CD2 4.35Å; A68-F91 HydrophobicContact CB-CE2 3.47Å; A68-F91 VanDerWaalsContact CB-CE2 3.47Å; A68-F91 HydrophobicContact CB-CZ 4.14Å; L69-F91 HydrophobicContact CD2-CD2 3.69Å; L69-F91 HydrophobicContact CD2-CE2 4.22Å; L69-F91 HydrophobicContact CD2-CG 4.39Å; L69-F91 HydrophobicContact CG-CD2 4.09Å; L69-F91 HydrophobicContact CG-CE2 4.13Å; D72-F91 WeakPolarHBondContact OD2-CD2 3.44Å; D72-F91 PolarHBondContact OD2-N 3.14Å; F91-A93 PolarHBondContact O-N 2.95Å; F91-M94 HydrophobicContact CB-CB 3.99Å; F91-M94 HydrophobicContact CB-CG 3.43Å; F91-M94 VanDerWaalsContact CB-CG 3.43Å; F91-M94 HydrophobicContact CG-CG 4.17Å; F91-M94 PolarHBondContact O-N 3.28Å
92P88.7Confident88.6Confident91 Ų9185.2 Ų85.259%0.59145%0.449SS*.THydrogen-bonded Turntrans-67.9-20.4-178.727.4-35.2000114N90N90-P92 WeakPolarHBondContact O-CD 3.38Å
93A89.7Confident88.9Confident92 Ų9278.1 Ų78.176%0.7643%0.433SS*.THydrogen-bonded Turntrans-88.8-3.7-179.700000113.9F91F91-A93 PolarHBondContact O-N 2.95Å
94M90.3Very high89.3Confident53 Ų5377.5 Ų77.526%0.26142%0.424SS..SBendtrans-83.1152.3-179.8-71.1-66107.700111.1L69 F91 V123 L127L69-M94 HydrophobicContact CD2-CB 4.22Å; L69-M94 HydrophobicContact CD2-CG 3.94Å; F91-M94 HydrophobicContact CB-CB 3.99Å; F91-M94 HydrophobicContact CB-CG 3.43Å; F91-M94 VanDerWaalsContact CB-CG 3.43Å; F91-M94 HydrophobicContact CG-CG 4.17Å; F91-M94 PolarHBondContact O-N 3.28Å; M94-V123 HydrophobicContact SD-CG1 4.04Å; M94-L127 HydrophobicContact CE-CD2 4.18Å; M94-L127 HydrophobicContact SD-CD1 3.88Å; M94-L127 HydrophobicContact SD-CD2 3.95Å; M94-L127 HydrophobicContact SD-CG 4.4Å
95P91.5Very high89.5Confident75 Ų7580.5 Ų80.549%0.48744%0.436SS..PPolyproline II helixtrans-58.5144.7175.726.6-35.3000110.2H119 V123P95-H119 PolarHBondContact O-CE1 2.89Å; P95-H119 PolarHBondContact O-NE2 3.23Å; P95-H119 VanDerWaalsContact O-NE2 3.08Å; P95-V123 HydrophobicContact CG-CG1 4.3Å; P95-V123 HydrophobicContact CG-CG2 3.77Å
96R91.1Very high89.9Confident98 Ų9878.3 Ų78.337%0.3743%0.429SS..PPolyproline II helixtrans-82.6155.7173-59.5-57.9-174.6159.54.2109.7F76 H119F76-R96 HydrophobicContact CD2-CB 4.19Å; F76-R96 HydrophobicContact CD2-CG 4.04Å; F76-R96 HydrophobicContact CE1-CB 4.43Å; F76-R96 HydrophobicContact CE2-CB 4.06Å; F76-R96 HydrophobicContact CE2-CG 4.01Å; F76-R96 HydrophobicContact CG-CB 4.42Å; F76-R96 HydrophobicContact CZ-CB 4.17Å; R96-H119 VanDerWaalsContact C-CE1 3.45Å
97P92.4Very high90.3Very high8 Ų876.4 Ų76.45%0.05241%0.408CS..PPolyproline II helixtrans-63.2143.8171.929.3-35.8000109.9A73 F76 V99 I115 H119A73-P97 HydrophobicContact CB-CG 4.2Å; F76-P97 HydrophobicContact CB-CG 4.24Å; F76-P97 HydrophobicContact CD1-CG 3.48Å; F76-P97 VanDerWaalsContact CD1-CG 3.48Å; F76-P97 HydrophobicContact CE1-CG 4.16Å; F76-P97 HydrophobicContact CG-CG 4.15Å; P97-V99 VanDerWaalsContact C-N 3.29Å; P97-V99 HydrophobicContact CB-CG2 4.35Å; P97-V99 PolarHBondContact O-N 3.46Å; P97-I115 HydrophobicContact CB-CG2 3.83Å; P97-H119 HydrophobicContact CB-CB 4.27Å
98E89.6Confident90.8Very high205 Ų20576.2 Ų76.296%0.95842%0.415SS*.SBendtrans-74.682.6179.7-170175.6-169.600109.7
99V91Very high91.1Very high24 Ų2472.3 Ų72.315%0.14540%0.403CS..  trans-134.3119.7177.3-1770000107.7F76 P97 R104 L107 I115F76-V99 HydrophobicContact CE1-CB 4.45Å; P97-V99 VanDerWaalsContact C-N 3.29Å; P97-V99 HydrophobicContact CB-CG2 4.35Å; P97-V99 PolarHBondContact O-N 3.46Å; V99-R104 HydrophobicContact CG1-CB 3.83Å; V99-R104 HydrophobicContact CG1-CG 4.28Å; V99-L107 HydrophobicContact CG1-CD1 3.83Å; V99-I115 HydrophobicContact CG2-CD1 4.06Å; V99-I115 HydrophobicContact CG2-CG2 4.02Å
100D90.6Very high91.3Very high112 Ų11274.6 Ų74.660%0.59942%0.424SS*.  trans-63.3142.8173.6-178.482.1000111.1G102 S103 R104D100-G102 PolarHBondContact O-N 3.4Å; D100-G102 WeakPolarHBondContact OD2-CA 3.23Å; D100-G102 PolarHBondContact OD2-N 2.96Å; D100-S103 PolarHBondContact O-N 3.07Å; D100-S103 VanDerWaalsContact O-N 3.11Å; D100-R104 WeakPolarHBondContact O-CB 3.48Å; D100-R104 PolarHBondContact O-N 2.97Å
101E87.2Confident91.5Very high95 Ų9577.5 Ų77.544%0.44444%0.436SS..Hα-helixtrans-59.2-33.3-176.1-174.362-167.100112.5R104E101-R104 WeakPolarHBondContact O-CB 3.5Å; E101-R104 IonicContact OE1-CZ 3.26Å; E101-R104 IonicContact OE1-NE 2.88Å; E101-R104 PolarHBondContact OE1-NE 3.05Å; E101-R104 IonicContact OE1-NH2 3.79Å; E101-R104 PolarHBondContact OE1-NH2 3.15Å; E101-R104 IonicContact OE2-CZ 3.46Å; E101-R104 IonicContact OE2-NE 3.18Å; E101-R104 PolarHBondContact OE2-NE 3.13Å; E101-R104 IonicContact OE2-NH2 3.42Å
102G88.9Confident91.6Very high38 Ų3875.3 Ų75.339%0.39243%0.427SS..Hα-helixtrans-70.7-46.3174.800000112.4D100 R104 L105 H106D100-G102 PolarHBondContact O-N 3.4Å; D100-G102 WeakPolarHBondContact OD2-CA 3.23Å; D100-G102 PolarHBondContact OD2-N 2.96Å; G102-R104 PolarHBondContact O-N 2.95Å; G102-L105 PolarHBondContact O-N 2.97Å; G102-H106 PolarHBondContact O-CD2 3.24Å
103S90.7Very high92Very high70 Ų7074.1 Ų74.149%0.4941%0.412SS..Hα-helixtrans-61-35.5177.7-62.30000112.1D100 L105 H106 L107D100-S103 PolarHBondContact O-N 3.07Å; D100-S103 VanDerWaalsContact O-N 3.11Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3Å; S103-H106 PolarHBondContact O-N 3.31Å; S103-H106 VanDerWaalsContact O-N 3.16Å; S103-L107 PolarHBondContact O-N 3.49Å
104R92.2Very high92.3Very high19 Ų1974.5 Ų74.57%0.07241%0.405CS..Hα-helixtrans-58.3-39.6-176.7-170.2-178.467.968.9-1.7113.7F76 C77 F78 G80 V99 D100 E101 G102 H106 L107F76-R104 VanDerWaalsContact O-CD 3.24Å; F76-R104 WeakPolarHBondContact O-CD 3.43Å; C77-R104 VanDerWaalsContact O-CD 3.27Å; C77-R104 WeakPolarHBondContact O-CD 3.24Å; C77-R104 WeakPolarHBondContact O-CG 3.17Å; C77-R104 PolarHBondContact O-NH1 3.08Å; F78-R104 PolarHBondContact O-NH1 3.3Å; G80-R104 VanDerWaalsContact CA-CZ 3.46Å; G80-R104 VanDerWaalsContact CA-NE 3.34Å; G80-R104 VanDerWaalsContact N-CZ 3.29Å; V99-R104 HydrophobicContact CG1-CB 3.83Å; V99-R104 HydrophobicContact CG1-CG 4.28Å; D100-R104 WeakPolarHBondContact O-CB 3.48Å; D100-R104 PolarHBondContact O-N 2.97Å; E101-R104 WeakPolarHBondContact O-CB 3.5Å; E101-R104 IonicContact OE1-CZ 3.26Å; E101-R104 IonicContact OE1-NE 2.88Å; E101-R104 PolarHBondContact OE1-NE 3.05Å; E101-R104 IonicContact OE1-NH2 3.79Å; E101-R104 PolarHBondContact OE1-NH2 3.15Å; E101-R104 IonicContact OE2-CZ 3.46Å; E101-R104 IonicContact OE2-NE 3.18Å; E101-R104 PolarHBondContact OE2-NE 3.13Å; E101-R104 IonicContact OE2-NH2 3.42Å; G102-R104 PolarHBondContact O-N 2.95Å; R104-H106 PolarHBondContact O-N 3.32Å; R104-L107 HydrophobicContact CG-CD1 4.37Å; R104-L107 PolarHBondContact O-N 3.11Å
105L89.3Confident92.6Very high124 Ų12474 Ų7465%0.64940%0.403SS*.THydrogen-bonded Turntrans-65.6-23-178.5-64.3175.5000112.9G102 S103G102-L105 PolarHBondContact O-N 2.97Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3Å
106H91.9Very high92.9Very high165 Ų16570.4 Ų70.476%0.76438%0.38SS*.THydrogen-bonded Turntrans-1011-179-61.9-72.8000113.6G102 S103 R104 S108G102-H106 PolarHBondContact O-CD2 3.24Å; S103-H106 PolarHBondContact O-N 3.31Å; S103-H106 VanDerWaalsContact O-N 3.16Å; R104-H106 PolarHBondContact O-N 3.32Å; H106-S108 PolarHBondContact O-N 2.9Å
107L93.4Very high93.2Very high38 Ų3868.3 Ų68.320%0.19937%0.374CS..  trans-65.5125.8178.4-69.2176.3000111.2C77 V99 S103 R104 E111 V112 I115C77-L107 HydrophobicContact CB-CD1 4.15Å; V99-L107 HydrophobicContact CG1-CD1 3.83Å; S103-L107 PolarHBondContact O-N 3.49Å; R104-L107 HydrophobicContact CG-CD1 4.37Å; R104-L107 PolarHBondContact O-N 3.11Å; L107-E111 HydrophobicContact CD2-CB 4.03Å; L107-V112 HydrophobicContact CB-CG2 3.89Å; L107-V112 HydrophobicContact CD1-CG2 4.28Å; L107-I115 HydrophobicContact CD1-CD1 3.84Å; L107-I115 HydrophobicContact CD2-CD1 3.83Å
108S94.5Very high93.4Very high52 Ų5276.1 Ų76.136%0.36440%0.402SS..  trans-68156.3166.8700000111H106 A110 E111 V112H106-S108 PolarHBondContact O-N 2.9Å; S108-A110 PolarHBondContact O-N 3.46Å; S108-A110 VanDerWaalsContact O-N 3.16Å; S108-E111 VanDerWaalsContact CB-OE2 3.28Å; S108-E111 WeakPolarHBondContact CB-OE2 3.49Å; S108-E111 PolarHBondContact N-OE2 3.37Å; S108-E111 PolarHBondContact O-N 3.09Å; S108-E111 VanDerWaalsContact O-N 3.11Å; S108-E111 VanDerWaalsContact OG-CD 3.28Å; S108-E111 VanDerWaalsContact OG-CG 3.3Å; S108-E111 WeakPolarHBondContact OG-CG 3.46Å; S108-E111 PolarHBondContact OG-N 3.36Å; S108-E111 PolarHBondContact OG-OE2 2.73Å; S108-V112 WeakPolarHBondContact O-CG2 3.44Å; S108-V112 PolarHBondContact O-N 3.13Å
109V94.2Very high93.8Very high63 Ų6367.6 Ų67.638%0.38236%0.363SS..Hα-helixtrans-56.4-33.3175.5172.50000112L56 K113L56-V109 HydrophobicContact CD1-CG1 3.28Å; L56-V109 HydrophobicContact CD2-CG1 3.74Å; L56-V109 HydrophobicContact CG-CG1 4.12Å; V109-K113 WeakPolarHBondContact O-CG 3.16Å; V109-K113 PolarHBondContact O-N 2.9Å
110A95.3Very high94Very high65 Ų6566.5 Ų66.554%0.53736%0.356SS..Hα-helixtrans-68.4-44.7177.500000111.8S108 V112 K113 V114S108-A110 PolarHBondContact O-N 3.46Å; S108-A110 VanDerWaalsContact O-N 3.16Å; A110-V112 VanDerWaalsContact C-N 3.34Å; A110-V112 PolarHBondContact O-N 2.89Å; A110-K113 WeakPolarHBondContact O-CB 3.21Å; A110-K113 PolarHBondContact O-N 3.32Å; A110-V114 WeakPolarHBondContact O-CG2 3.15Å; A110-V114 PolarHBondContact O-N 3.46Å; A110-V114 VanDerWaalsContact O-N 3.16Å
111E96.2Very high94.2Very high93 Ų9366.9 Ų66.944%0.43535%0.349SS..Hα-helixtrans-63.6-40.7176.7-70.7160.6138.400111.5L107 S108 K113 V114 I115L107-E111 HydrophobicContact CD2-CB 4.03Å; S108-E111 VanDerWaalsContact CB-OE2 3.28Å; S108-E111 WeakPolarHBondContact CB-OE2 3.49Å; S108-E111 PolarHBondContact N-OE2 3.37Å; S108-E111 PolarHBondContact O-N 3.09Å; S108-E111 VanDerWaalsContact O-N 3.11Å; S108-E111 VanDerWaalsContact OG-CD 3.28Å; S108-E111 VanDerWaalsContact OG-CG 3.3Å; S108-E111 WeakPolarHBondContact OG-CG 3.46Å; S108-E111 PolarHBondContact OG-N 3.36Å; S108-E111 PolarHBondContact OG-OE2 2.73Å; E111-K113 VanDerWaalsContact C-N 3.25Å; E111-K113 PolarHBondContact O-N 2.85Å; E111-V114 PolarHBondContact O-N 3.44Å; E111-V114 VanDerWaalsContact O-N 3.12Å; E111-I115 WeakPolarHBondContact O-CB 3.27Å; E111-I115 VanDerWaalsContact O-CG1 3.31Å; E111-I115 WeakPolarHBondContact O-CG1 2.91Å; E111-I115 PolarHBondContact O-N 3.46Å
112V95.6Very high94.7Very high2 Ų266.2 Ų66.21%0.01235%0.348CS..Hα-helixtrans-57.4-40.2175.4176.10000111.4A74 C77 F78 L107 S108 A110 A116A74-V112 HydrophobicContact CB-CG1 4.14Å; C77-V112 HydrophobicContact CB-CB 4.42Å; C77-V112 HydrophobicContact CB-CG1 3.82Å; C77-V112 HydrophobicContact CB-CG2 3.92Å; F78-V112 HydrophobicContact CD2-CG1 4.25Å; F78-V112 HydrophobicContact CE1-CG2 4.11Å; F78-V112 HydrophobicContact CE2-CB 4.49Å; F78-V112 HydrophobicContact CE2-CG1 3.67Å; F78-V112 HydrophobicContact CZ-CB 4.13Å; F78-V112 HydrophobicContact CZ-CG1 3.81Å; F78-V112 HydrophobicContact CZ-CG2 4.12Å; L107-V112 HydrophobicContact CB-CG2 3.89Å; L107-V112 HydrophobicContact CD1-CG2 4.28Å; S108-V112 WeakPolarHBondContact O-CG2 3.44Å; S108-V112 PolarHBondContact O-N 3.13Å; A110-V112 VanDerWaalsContact C-N 3.34Å; A110-V112 PolarHBondContact O-N 2.89Å; V112-A116 WeakPolarHBondContact O-CB 3.48Å; V112-A116 PolarHBondContact O-N 3.24Å
113K96.7Very high94.9Very high65 Ų6564.8 Ų64.828%0.28333%0.332SS..Hα-helixtrans-62.9-48.1175.2-67.8-172.7-174.1-160.20111.8L56 W57 V109 A110 E111 I115 A116 E117L56-K113 HydrophobicContact CD1-CD 4.47Å; L56-K113 HydrophobicContact CD2-CG 4.47Å; W57-K113 WeakPolarHBondContact O-CE 3.06Å; W57-K113 PolarHBondContact O-NZ 3Å; V109-K113 WeakPolarHBondContact O-CG 3.16Å; V109-K113 PolarHBondContact O-N 2.9Å; A110-K113 WeakPolarHBondContact O-CB 3.21Å; A110-K113 PolarHBondContact O-N 3.32Å; E111-K113 VanDerWaalsContact C-N 3.25Å; E111-K113 PolarHBondContact O-N 2.85Å; K113-I115 PolarHBondContact O-N 3.48Å; K113-A116 PolarHBondContact O-N 3.42Å; K113-E117 WeakPolarHBondContact O-CB 3.42Å; K113-E117 WeakPolarHBondContact O-CG 3.44Å; K113-E117 PolarHBondContact O-N 3.18Å
114V96.9Very high95.1Very high100 Ų10063 Ų6361%0.60632%0.317SS*.Hα-helixtrans-60.5-46.9-178.7174.60000110.6A110 E111 R118A110-V114 WeakPolarHBondContact O-CG2 3.15Å; A110-V114 PolarHBondContact O-N 3.46Å; A110-V114 VanDerWaalsContact O-N 3.16Å; E111-V114 PolarHBondContact O-N 3.44Å; E111-V114 VanDerWaalsContact O-N 3.12Å; V114-R118 WeakPolarHBondContact O-CB 3.09Å; V114-R118 PolarHBondContact O-N 2.89Å
115I96.7Very high95.1Very high43 Ų4366.2 Ų66.222%0.22135%0.347CS..Hα-helixtrans-61.7-48.8177.8-66.8165.1000110.4P97 V99 L107 E111 K113 E117 R118 H119P97-I115 HydrophobicContact CB-CG2 3.83Å; V99-I115 HydrophobicContact CG2-CD1 4.06Å; V99-I115 HydrophobicContact CG2-CG2 4.02Å; L107-I115 HydrophobicContact CD1-CD1 3.84Å; L107-I115 HydrophobicContact CD2-CD1 3.83Å; E111-I115 WeakPolarHBondContact O-CB 3.27Å; E111-I115 VanDerWaalsContact O-CG1 3.31Å; E111-I115 WeakPolarHBondContact O-CG1 2.91Å; E111-I115 PolarHBondContact O-N 3.46Å; K113-I115 PolarHBondContact O-N 3.48Å; I115-E117 PolarHBondContact O-N 2.94Å; I115-R118 PolarHBondContact O-N 3.13Å; I115-H119 WeakPolarHBondContact O-CB 3.39Å; I115-H119 PolarHBondContact O-N 3.4Å
116A96.8Very high95.2Very high0 Ų067.2 Ų67.20%035%0.353CS..Hα-helixtrans-62.9-43.7-17800000112.6I58 A70 A73 A74 V112 K113 A120I58-A116 HydrophobicContact CG2-CB 3.82Å; A70-A116 WeakPolarHBondContact O-CB 3.44Å; A73-A116 HydrophobicContact CB-CB 4.09Å; A74-A116 HydrophobicContact CB-CB 4.18Å; V112-A116 WeakPolarHBondContact O-CB 3.48Å; V112-A116 PolarHBondContact O-N 3.24Å; K113-A116 PolarHBondContact O-N 3.42Å; A116-A120 VanDerWaalsContact O-CB 3.24Å; A116-A120 WeakPolarHBondContact O-CB 3.44Å; A116-A120 PolarHBondContact O-N 2.98Å
117E96.9Very high95.1Very high53 Ų5361.7 Ų61.725%0.24833%0.328CS..Hα-helixtrans-66.2-44.6177.8-76.5-168.5-169.400112.7F61 K113 I115 A120 R121F61-E117 HydrophobicContact CE1-CG 4.29Å; F61-E117 HydrophobicContact CZ-CG 4.07Å; K113-E117 WeakPolarHBondContact O-CB 3.42Å; K113-E117 WeakPolarHBondContact O-CG 3.44Å; K113-E117 PolarHBondContact O-N 3.18Å; I115-E117 PolarHBondContact O-N 2.94Å; E117-A120 PolarHBondContact O-N 3.01Å; E117-R121 WeakPolarHBondContact O-CG 3.47Å; E117-R121 PolarHBondContact O-N 2.9Å; E117-R121 VanDerWaalsContact O-N 3.13Å; E117-R121 IonicContact OE2-CZ 3.13Å; E117-R121 IonicContact OE2-NH1 2.73Å; E117-R121 PolarHBondContact OE2-NH1 3.42Å; E117-R121 IonicContact OE2-NH2 3.76Å; E117-R121 PolarHBondContact OE2-NH2 3.48Å
118R97.3Very high94.8Very high173 Ų17364.3 Ų64.365%0.65335%0.348SS*.Hα-helixtrans-62.5-51.8178.1179.8-179.6175.1-155.10.2110.5V114 I115 A120 R121 D122V114-R118 WeakPolarHBondContact O-CB 3.09Å; V114-R118 PolarHBondContact O-N 2.89Å; I115-R118 PolarHBondContact O-N 3.13Å; R118-A120 VanDerWaalsContact C-N 3.28Å; R118-A120 PolarHBondContact O-N 3.26Å; R118-R121 PolarHBondContact O-N 2.9Å; R118-R121 VanDerWaalsContact O-N 3.09Å; R118-D122 WeakPolarHBondContact CG-OD2 3.39Å; R118-D122 IonicContact NE-OD2 3.48Å; R118-D122 VanDerWaalsContact O-CG 3.28Å; R118-D122 PolarHBondContact O-N 2.78Å
119H96.9Very high94.2Very high26 Ų2667.4 Ų67.412%0.1237%0.367CS..Hα-helixtrans-58.1-41.7179.6-178.980.1000112A73 P95 R96 P97 I115 R121 D122 V123A73-H119 HydrophobicContact CB-CB 4.22Å; P95-H119 PolarHBondContact O-CE1 2.89Å; P95-H119 PolarHBondContact O-NE2 3.23Å; P95-H119 VanDerWaalsContact O-NE2 3.08Å; R96-H119 VanDerWaalsContact C-CE1 3.45Å; P97-H119 HydrophobicContact CB-CB 4.27Å; I115-H119 WeakPolarHBondContact O-CB 3.39Å; I115-H119 PolarHBondContact O-N 3.4Å; H119-R121 PolarHBondContact O-N 2.76Å; H119-D122 PolarHBondContact O-N 3.3Å; H119-V123 VanDerWaalsContact CE1-CG2 3.44Å; H119-V123 WeakPolarHBondContact CE1-CG2 3.37Å; H119-V123 WeakPolarHBondContact O-CB 3.31Å; H119-V123 WeakPolarHBondContact O-CG2 3.5Å; H119-V123 PolarHBondContact O-N 3.33Å
120A96.3Very high93.2Very high0 Ų066.7 Ų66.70%036%0.36CS..Hα-helixtrans-62-41.3176.600000112.9F61 Q66 L69 A70 A116 E117 R118 D124F61-A120 HydrophobicContact CE1-CB 4.18Å; Q66-A120 HydrophobicContact CG-CB 4.1Å; Q66-A120 WeakPolarHBondContact O-CB 3.38Å; L69-A120 HydrophobicContact CB-CB 4.13Å; A70-A120 HydrophobicContact CB-CB 3.68Å; A116-A120 VanDerWaalsContact O-CB 3.24Å; A116-A120 WeakPolarHBondContact O-CB 3.44Å; A116-A120 PolarHBondContact O-N 2.98Å; E117-A120 PolarHBondContact O-N 3.01Å; R118-A120 VanDerWaalsContact C-N 3.28Å; R118-A120 PolarHBondContact O-N 3.26Å; A120-D124 WeakPolarHBondContact O-CB 3.32Å; A120-D124 PolarHBondContact O-N 3.18Å
121R95.4Very high91.8Very high120 Ų12067.3 Ų67.345%0.45337%0.365SS..Hα-helixtrans-65.4-45.9176-71.3177.9-177.21104.6111.4E117 R118 H119 A125E117-R121 WeakPolarHBondContact O-CG 3.47Å; E117-R121 PolarHBondContact O-N 2.9Å; E117-R121 VanDerWaalsContact O-N 3.13Å; E117-R121 IonicContact OE2-CZ 3.13Å; E117-R121 IonicContact OE2-NH1 2.73Å; E117-R121 PolarHBondContact OE2-NH1 3.42Å; E117-R121 IonicContact OE2-NH2 3.76Å; E117-R121 PolarHBondContact OE2-NH2 3.48Å; R118-R121 PolarHBondContact O-N 2.9Å; R118-R121 VanDerWaalsContact O-N 3.09Å; H119-R121 PolarHBondContact O-N 2.76Å; R121-A125 VanDerWaalsContact O-CB 3.29Å; R121-A125 WeakPolarHBondContact O-CB 3.37Å; R121-A125 PolarHBondContact O-N 2.91Å; R121-A125 VanDerWaalsContact O-N 3.08Å
122D95.9Very high90Very high81 Ų8166.1 Ų66.143%0.43336%0.362SS..Hα-helixtrans-65.8-46.6-176.8-64.9-14.1000111.1R118 H119 A125 L126R118-D122 WeakPolarHBondContact CG-OD2 3.39Å; R118-D122 IonicContact NE-OD2 3.48Å; R118-D122 VanDerWaalsContact O-CG 3.28Å; R118-D122 PolarHBondContact O-N 2.78Å; H119-D122 PolarHBondContact O-N 3.3Å; D122-A125 PolarHBondContact O-N 3.44Å; D122-L126 WeakPolarHBondContact O-CG 3.49Å; D122-L126 PolarHBondContact O-N 2.75Å
123V94.6Very high88.1Confident8 Ų868 Ų685%0.04837%0.373CS..Hα-helixtrans-71.5-41.3-179.9176.90000112L69 M94 P95 H119 A125 L126 L127L69-V123 HydrophobicContact CD1-CB 4.17Å; L69-V123 HydrophobicContact CD1-CG1 3.88Å; L69-V123 HydrophobicContact CD2-CG1 3.91Å; M94-V123 HydrophobicContact SD-CG1 4.04Å; P95-V123 HydrophobicContact CG-CG1 4.3Å; P95-V123 HydrophobicContact CG-CG2 3.77Å; H119-V123 VanDerWaalsContact CE1-CG2 3.44Å; H119-V123 WeakPolarHBondContact CE1-CG2 3.37Å; H119-V123 WeakPolarHBondContact O-CB 3.31Å; H119-V123 WeakPolarHBondContact O-CG2 3.5Å; H119-V123 PolarHBondContact O-N 3.33Å; V123-A125 VanDerWaalsContact C-N 3.25Å; V123-A125 PolarHBondContact O-N 2.94Å; V123-L126 PolarHBondContact O-N 3Å; V123-L126 VanDerWaalsContact O-N 3.15Å; V123-L127 HydrophobicContact CG1-CD1 4.24Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.42Å
124D94.1Very high86.1Confident34 Ų3469.7 Ų69.718%0.18239%0.386CS..Hα-helixtrans-63.2-34.7178.2-164.460.9000111.4R65 Q66 L69 A120 L126 L127R65-D124 VanDerWaalsContact CD-OD1 3.3Å; R65-D124 WeakPolarHBondContact CD-OD1 3.28Å; Q66-D124 HydrophobicContact CB-CB 4.23Å; Q66-D124 HydrophobicContact CG-CB 4.15Å; L69-D124 HydrophobicContact CD1-CB 3.98Å; A120-D124 WeakPolarHBondContact O-CB 3.32Å; A120-D124 PolarHBondContact O-N 3.18Å; D124-L126 VanDerWaalsContact C-N 3.3Å; D124-L126 PolarHBondContact O-N 3.2Å; D124-L127 PolarHBondContact O-N 3.24Å
125A92.8Very high83.9Confident85 Ų8568.8 Ų68.870%0.70238%0.384SS*.Hα-helixtrans-67.4-25.5175.700000114.1R121 D122 V123 L127R121-A125 VanDerWaalsContact O-CB 3.29Å; R121-A125 WeakPolarHBondContact O-CB 3.37Å; R121-A125 PolarHBondContact O-N 2.91Å; R121-A125 VanDerWaalsContact O-N 3.08Å; D122-A125 PolarHBondContact O-N 3.44Å; V123-A125 VanDerWaalsContact C-N 3.25Å; V123-A125 PolarHBondContact O-N 2.94Å; A125-L127 VanDerWaalsContact C-N 3.35Å
126L92.1Very high81.5Confident146 Ų14670 Ų7076%0.76440%0.4SS*.Hα-helixtrans-82.4-15.9176.4-65.8172.2000112.8D122 V123 D124D122-L126 WeakPolarHBondContact O-CG 3.49Å; D122-L126 PolarHBondContact O-N 2.75Å; V123-L126 PolarHBondContact O-N 3Å; V123-L126 VanDerWaalsContact O-N 3.15Å; D124-L126 VanDerWaalsContact C-N 3.3Å; D124-L126 PolarHBondContact O-N 3.2Å
127L88.8Confident79.1Confident48 Ų4874.1 Ų74.125%0.25143%0.434SS..SBendtrans-91.1148.9-176.7-67.6172.7000110.8R65 L69 M94 V123 D124 A125R65-L127 VanDerWaalsContact NH1-CB 3.32Å; L69-L127 HydrophobicContact CD1-CD1 4.28Å; M94-L127 HydrophobicContact CE-CD2 4.18Å; M94-L127 HydrophobicContact SD-CD1 3.88Å; M94-L127 HydrophobicContact SD-CD2 3.95Å; M94-L127 HydrophobicContact SD-CG 4.4Å; V123-L127 HydrophobicContact CG1-CD1 4.24Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.42Å; D124-L127 PolarHBondContact O-N 3.24Å; A125-L127 VanDerWaalsContact C-N 3.35Å
128P87.1Confident76.6Confident93 Ų9375.8 Ų75.860%0.60446%0.457SS*.PPolyproline II helixtrans-59.3144.3172.226.6-34.4000109.2R65 M130R65-P128 PolarHBondContact NH1-O 3.02Å; P128-M130 PolarHBondContact O-N 2.87Å
129P81.9Confident74Confident118 Ų11873.3 Ų73.377%0.76646%0.461SS*.PPolyproline II helixtrans-52.2130.7-179.821.7-32.4000109.4A131P129-A131 PolarHBondContact O-N 2.88Å
130M73.4Confident71.5Confident47 Ų4779.6 Ų79.623%0.23250%0.496CS..PPolyproline II helixtrans-55.1135.9161.9-73.8-80.8-75.200105.8L29 W32 R65 P128 D132L29-M130 HydrophobicContact CD2-CE 3.63Å; W32-M130 HydrophobicContact CH2-CE 3.59Å; W32-M130 HydrophobicContact CH2-SD 4.39Å; W32-M130 HydrophobicContact CZ2-CE 4.4Å; W32-M130 HydrophobicContact CZ3-CE 4.45Å; R65-M130 HydrophobicContact CB-CG 3.98Å; R65-M130 HydrophobicContact CB-SD 4.37Å; R65-M130 PolarHBondContact NE-SD 3.48Å; R65-M130 PolarHBondContact NH2-SD 2.99Å; P128-M130 PolarHBondContact O-N 2.87Å; M130-D132 PolarHBondContact O-N 2.68Å
131A65Low69.3Low78 Ų7886.6 Ų86.665%0.64553%0.533SS*.  trans-57.598.6164.100000107.1P129P129-A131 PolarHBondContact O-N 2.88Å
132D58.6Low66.9Low69 Ų6988.6 Ų88.637%0.36955%0.553SS.*  trans-61.1141.6-174-67.9-49.9000108M130 D134 S135M130-D132 PolarHBondContact O-N 2.68Å; D132-D134 PolarHBondContact O-N 3.47Å; D132-S135 PolarHBondContact O-N 3.32Å
133P57Low64.5Low40 Ų4092.9 Ų92.926%0.2658%0.575SS.*THydrogen-bonded Turntrans-58.7-17178.225.8-34.1000112.5R26R26-P133 HydrophobicContact CG-CG 4.48Å
134D54.2Low62.5Low102 Ų10298.9 Ų98.955%0.54561%0.611SS.*THydrogen-bonded Turntrans-112.8-15-176.4-52.1-26000113.2R26 D132R26-D134 IonicContact CZ-OD1 3.77Å; R26-D134 IonicContact CZ-OD2 3.91Å; R26-D134 IonicContact NE-OD1 3.96Å; R26-D134 IonicContact NH2-OD1 2.84Å; R26-D134 PolarHBondContact NH2-OD1 3.48Å; R26-D134 IonicContact NH2-OD2 2.79Å; R26-D134 PolarHBondContact NH2-OD2 3.27Å; D132-D134 PolarHBondContact O-N 3.47Å
135S50.3Low60.3Low81 Ų81105.4 Ų105.457%0.56664%0.643SS**THydrogen-bonded Turntrans-89.7-26.4-178.4-174.10000113.2D132 A137D132-S135 PolarHBondContact O-N 3.32Å; S135-A137 PolarHBondContact O-N 2.89Å; S135-A137 VanDerWaalsContact O-N 3.1Å
136A47Very low58.3Low68 Ų68105.3 Ų105.356%0.56264%0.642SS**THydrogen-bonded Turntrans-76.18.3-179.800000114.8
137A45.9Very low57.2Low87 Ų87103.6 Ų103.672%0.71964%0.639SS**THydrogen-bonded Turntrans-92.411176.400000113.6S135S135-A137 PolarHBondContact O-N 2.89Å; S135-A137 VanDerWaalsContact O-N 3.1Å
138A44.4Very low56.2Low87 Ų87106.8 Ų106.872%0.71966%0.663SS**SBendtrans-121.613-174.700000115.6
139T41.7Very low55.2Low121 Ų121108.4 Ų108.474%0.74267%0.673SS**  trans-134.974170.159.70000110.4D141T139-D141 PolarHBondContact O-N 3.2Å
140D45.8Very low54.4Low158 Ų158109 Ų10985%0.84568%0.675SS**  trans-79.575.4152.4-87.1-69.1000107.5
141D49.1Very low53.4Low148 Ų148111.8 Ų111.879%0.79171%0.705SS**  trans-15769.7170.5-99.4-53.1000108.7T139T139-D141 PolarHBondContact O-N 3.2Å
142D44.5Very low53.1Low162 Ų162114 Ų11487%0.86671%0.71SS**  trans-164.278.3145.4-102.7-44.6000108.8V144D142-V144 PolarHBondContact O-N 3.28Å
143L45.8Very low52.9Low170 Ų170115.7 Ų115.789%0.8973%0.734SS**  trans-66.678.6161.2-68.9170.4000108.9M145L143-M145 VanDerWaalsContact C-N 3.29Å; L143-M145 PolarHBondContact O-N 3.29Å; L143-M145 VanDerWaalsContact O-N 3.13Å
144V52.4Low53.3Low134 Ų134120.1 Ų120.181%0.81276%0.76SS**  trans-78.294154.4126.30000107.5D142 A146D142-V144 PolarHBondContact O-N 3.28Å; V144-A146 VanDerWaalsContact C-N 3.34Å; V144-A146 PolarHBondContact O-N 2.93Å
145M48.3Very low53.7Low172 Ų172123.2 Ų123.285%0.84778%0.777SS**  trans-63.791172.4-171.4132.851.800108.8L143L143-M145 VanDerWaalsContact C-N 3.29Å; L143-M145 PolarHBondContact O-N 3.29Å; L143-M145 VanDerWaalsContact O-N 3.13Å
146A52.1Low54Low83 Ų83124 Ų12469%0.68679%0.789SS**PPolyproline II helixtrans-70.8124.216500000108.2V144V144-A146 VanDerWaalsContact C-N 3.34Å; V144-A146 PolarHBondContact O-N 2.93Å
147P68.4Low55Low109 Ų109126.3 Ų126.371%0.70880%0.798SS**PPolyproline II helixtrans-67.6153.1-18028.4-34000111.1
148P67.3Low55.6Low115 Ų115127.7 Ų127.775%0.74780%0.802SS**PPolyproline II helixtrans-64.1137.7177.327.4-34.1000110.7V150P148-V150 PolarHBondContact O-N 2.86Å
149P67Low56.2Low127 Ų127131.1 Ų131.183%0.82581%0.808SS**PPolyproline II helixtrans-70.8125.9175.428.2-32.1000110.1A151P149-A151 PolarHBondContact O-N 3.21Å
150V63.9Low56.8Low131 Ų131129.2 Ų129.279%0.79481%0.813SS**PPolyproline II helixtrans-65121.2165.3-75.10000108.9P148 V152P148-V150 PolarHBondContact O-N 2.86Å; V150-V152 PolarHBondContact O-N 2.94Å
151A52.5Low57.4Low106 Ų106126.5 Ų126.588%0.87681%0.812SS**  trans-70.5113.4176.300000109.7P149P149-A151 PolarHBondContact O-N 3.21Å
152V59.7Low57.8Low123 Ų123123.4 Ų123.475%0.74582%0.815SS**  trans-108.9115.6161.5-72.60000107.5V150V150-V152 PolarHBondContact O-N 2.94Å
153A53.8Low58.4Low106 Ų106119 Ų11988%0.87681%0.808SS**  trans-71.5124.617200000108.6
154V65.4Low59.3Low133 Ų133116.6 Ų116.681%0.80680%0.803SS**  trans-126.3126.4165.7-71.10000107.9
155D62.6Low60.1Low166 Ų166114.6 Ų114.689%0.88879%0.787SS**  trans-60.4142.5-175.2-71.5-63.2000112.9
156A57.2Low60.9Low99 Ų99112.5 Ų112.582%0.81878%0.779SS**  trans-79.6141.4176.900000112.1
157P67.7Low61.4Low116 Ų116114.3 Ų114.375%0.75378%0.777SS**  trans-105131149.327.9-18.8000111.1
158S57.6Low61.1Low115 Ų115115.8 Ų115.880%0.80477%0.774SS**  trans-79.9117.8170.9174.90000108.8
159D58.2Low60.9Low159 Ų159116.1 Ų116.185%0.8577%0.768SS**  trans-143.4119.8160.3-81.1-50.4000108.6
160G54.2Low60.9Low81 Ų81115.3 Ų115.384%0.83576%0.756SS**  trans-75.7144.8178.800000112.3
161A57Low60.9Low102 Ų102113.5 Ų113.584%0.84375%0.749SS**  trans-150.7128.4157.900000108.6
162G58.3Low61.5Low82 Ų82112.3 Ų112.385%0.84574%0.739SS**PPolyproline II helixtrans-62.1142.9-169.900000114.2
163G56.3Low61.5Low69 Ų69113.5 Ų113.571%0.71173%0.734SS**PPolyproline II helixtrans-70.2147.1167.100000110.9D165G163-D165 PolarHBondContact O-N 3.3Å
164P65.7Low61.8Low121 Ų121114.7 Ų114.779%0.78673%0.726SS**PPolyproline II helixtrans-65.4127.8172.127.4-32.3000109.8L166P164-L166 PolarHBondContact O-N 3.11Å
165D68.2Low61.7Low92 Ų92114.8 Ų114.849%0.49272%0.721SS.*  trans-61.7113.6175.7-172.624.5000110.3G163 D167 Q168G163-D165 PolarHBondContact O-N 3.3Å; D165-D167 PolarHBondContact O-N 2.87Å; D165-Q168 PolarHBondContact O-N 3.36Å; D165-Q168 VanDerWaalsContact O-N 3.13Å
166L65.9Low61.6Low127 Ų127113.6 Ų113.667%0.66571%0.714SS**Hα-helixtrans-62.5-27.2-174.6-16185.4000112P164 Q168 M169 L170P164-L166 PolarHBondContact O-N 3.11Å; L166-Q168 VanDerWaalsContact C-N 3.31Å; L166-Q168 PolarHBondContact O-N 2.88Å; L166-M169 PolarHBondContact O-N 3.26Å; L166-L170 PolarHBondContact O-N 3.27Å
167D62.1Low61.8Low121 Ų121112.3 Ų112.365%0.64770%0.704SS**Hα-helixtrans-70.6-24.9178.4-90.6-22.9000112.9D165 S171D165-D167 PolarHBondContact O-N 2.87Å; D167-S171 PolarHBondContact O-N 3.12Å; D167-S171 PolarHBondContact O-OG 3.11Å
168Q63.3Low61Low140 Ų140114 Ų11465%0.65470%0.699SS**Hα-helixtrans-74.5-26.5171.6-84.3-177.561.400112.9D165 L166 S171D165-Q168 PolarHBondContact O-N 3.36Å; D165-Q168 VanDerWaalsContact O-N 3.13Å; L166-Q168 VanDerWaalsContact C-N 3.31Å; L166-Q168 PolarHBondContact O-N 2.88Å; Q168-S171 PolarHBondContact O-OG 3.01Å
169M62.5Low60.9Low123 Ų123110.7 Ų110.761%0.60668%0.683SS**Hα-helixtrans-76.4-31.8175.7-79.3-170.267.100112.9L166 F173L166-M169 PolarHBondContact O-N 3.26Å; M169-F173 WeakPolarHBondContact O-CD2 3.3Å; M169-F173 WeakPolarHBondContact O-CE2 3.28Å
170L66.2Low61Low110 Ų110106.9 Ų106.958%0.57667%0.674SS**Hα-helixtrans-79.8-27.2-179.1-77.9159.4000113L166L166-L170 PolarHBondContact O-N 3.27Å
171S65.1Low61.1Low93 Ų93110.1 Ų110.165%0.6567%0.667SS**Hα-helixtrans-80.2-13.3178.448.50000114.4D167 Q168 F173D167-S171 PolarHBondContact O-N 3.12Å; D167-S171 PolarHBondContact O-OG 3.11Å; Q168-S171 PolarHBondContact O-OG 3.01Å; S171-F173 VanDerWaalsContact C-N 3.32Å
172A64.1Low61.2Low81 Ų81111 Ų11167%0.66966%0.657SS**THydrogen-bonded Turntrans-81.8-6.2175.600000114.1D174A172-D174 PolarHBondContact O-N 2.74Å
173F60.1Low61.2Low147 Ų147113.6 Ų113.665%0.64565%0.652SS**  trans-84.796.2173.3-70-78.5000109.8M169 S171 I175M169-F173 WeakPolarHBondContact O-CD2 3.3Å; M169-F173 WeakPolarHBondContact O-CE2 3.28Å; S171-F173 VanDerWaalsContact C-N 3.32Å; F173-I175 VanDerWaalsContact C-N 3.33Å; F173-I175 PolarHBondContact O-N 3.16Å
174D59.4Low61.5Low132 Ų132115.1 Ų115.171%0.70665%0.652SS**  trans-65.989.3167.2-105.4-43000109.7A172 D176A172-D174 PolarHBondContact O-N 2.74Å; D174-D176 PolarHBondContact O-N 3.31Å
175I63.2Low61.3Low134 Ų134116.6 Ų116.669%0.68765%0.65SS**SBendtrans-67.3-28.1175.7-63.1173.6000110.4F173 A177 F178F173-I175 VanDerWaalsContact C-N 3.33Å; F173-I175 PolarHBondContact O-N 3.16Å; I175-A177 VanDerWaalsContact C-N 3.29Å; I175-A177 PolarHBondContact O-N 3.48Å; I175-F178 PolarHBondContact O-N 3.16Å; I175-F178 VanDerWaalsContact O-N 3.16Å
176D61.1Low61.1Low141 Ų141117.6 Ų117.675%0.75466%0.66SS**G310 helixtrans-69.8-24-174.9-67.5-22.2000113.1D174 F178 G179D174-D176 PolarHBondContact O-N 3.31Å; D176-F178 VanDerWaalsContact C-N 3.31Å; D176-F178 PolarHBondContact O-N 3.45Å; D176-G179 PolarHBondContact O-N 3.45Å
177A61.6Low60.5Low72 Ų72120.4 Ų120.460%0.59567%0.667SS**G310 helixtrans-69.5-27.7174.400000112.9I175 G179I175-A177 VanDerWaalsContact C-N 3.29Å; I175-A177 PolarHBondContact O-N 3.48Å; A177-G179 VanDerWaalsContact C-N 3.33Å
178F51.8Low60Low152 Ų152121.6 Ų121.667%0.66767%0.673SS**G310 helixtrans-80.1-15.1-178.8-144.7-91.4000112.9I175 D176I175-F178 PolarHBondContact O-N 3.16Å; I175-F178 VanDerWaalsContact O-N 3.16Å; D176-F178 VanDerWaalsContact C-N 3.31Å; D176-F178 PolarHBondContact O-N 3.45Å
179G55.6Low59.8Low45 Ų45121.5 Ų121.546%0.46468%0.681SS.*THydrogen-bonded Turntrans-74-33.1178.900000113.7D176 A177 E181 L182D176-G179 PolarHBondContact O-N 3.45Å; A177-G179 VanDerWaalsContact C-N 3.33Å; G179-E181 VanDerWaalsContact C-N 3.29Å; G179-E181 PolarHBondContact O-N 3.44Å; G179-L182 PolarHBondContact O-N 3.16Å
180A59Low59.5Low80 Ų80120.5 Ų120.566%0.66169%0.686SS**THydrogen-bonded Turntrans-71.2-22.9-175.500000113.6
181E56.5Low59Low148 Ų148122.3 Ų122.369%0.69270%0.696SS**THydrogen-bonded Turntrans-82.8-20.2-177-154.4164.3-168.700112.8G179G179-E181 VanDerWaalsContact C-N 3.29Å; G179-E181 PolarHBondContact O-N 3.44Å
182L60Low58.6Low120 Ų120125.2 Ų125.263%0.62871%0.705SS**THydrogen-bonded Turntrans-84.9-27179.5-85.4162.7000113.9G179 S184 M185G179-L182 PolarHBondContact O-N 3.16Å; L182-S184 PolarHBondContact O-N 3.24Å; L182-M185 PolarHBondContact O-N 3.33Å
183D58.5Low58.3Low137 Ų137130.1 Ų130.173%0.73371%0.714SS**THydrogen-bonded Turntrans-75.2-10.9175.4-95-14.2000113.4M185 T186D183-M185 VanDerWaalsContact C-N 3.34Å; D183-T186 PolarHBondContact O-OG1 2.69Å
184S61.2Low58.3Low102 Ų102132.4 Ų132.471%0.71372%0.719SS**THydrogen-bonded Turntrans-80.7-11.4172.4-179.60000113.4L182L182-S184 PolarHBondContact O-N 3.24Å
185M62.4Low58.2Low151 Ų151135 Ų13574%0.74472%0.721SS**SBendtrans-110.38.8-168.2-155.6150.9-162.400114.7L182 D183L182-M185 PolarHBondContact O-N 3.33Å; D183-M185 VanDerWaalsContact C-N 3.34Å
186T62.6Low57.8Low114 Ų114133.4 Ų133.470%0.69973%0.728SS**  trans-92.716179.630.30000114.5D183D183-T186 PolarHBondContact O-OG1 2.69Å
187F54.4Low57.6Low185 Ų185131.2 Ų131.281%0.81173%0.729SS**  trans-109.7133.4176.9-145.4-103.2000110.1
188L51.8Low57.4Low147 Ų147136.9 Ų136.977%0.7774%0.743SS**  trans9551.9-173.8-48.2-178.7000116.2
189V59.2Low57.9Low137 Ų137135.3 Ų135.383%0.8375%0.748SS**  trans-11093.3138.4179.20000105.5
190S55.9Low58.1Low103 Ų103137.6 Ų137.672%0.7276%0.762SS**  trans-84.3121.4166.7-69.10000107.7
191D54.7Low57.5Low147 Ų147140.4 Ų140.479%0.78678%0.776SS**  trans-50.9128.9166.1-63-84000111.4
192D58.2Low57.7Low154 Ų154141.7 Ų141.782%0.82481%0.811SS**  trans-148.2129.6149.5-104.9-52.6000111
193E58.2Low57.6Low184 Ų184142.8 Ų142.886%0.8682%0.821SS**  trans72.974158.3-64.9-169.1109.800120.2
194Y59.2Low57.5Low195 Ų195143.1 Ų143.177%0.76583%0.825SS**  trans-52.4132.6135.9-161.2-109.2000113.3
195Y56.6Low57.3Low188 Ų188145.3 Ų145.374%0.73783%0.832SS**  trans87140.3155.5-89.4-121.5000122.7
196A56Low57Low100 Ų100145 Ų14583%0.82684%0.837SS**  trans90.7126164.100000115.5
197A57.3Low56.7Low94 Ų94146.9 Ų146.978%0.77785%0.845SS**  cis-165.6142.67.100000109.7
198E57Low56.9Low191 Ų191144.4 Ų144.489%0.89385%0.847SS**  trans-87.2152.9144.4-63.9-168.9133.300107.2
199P61.9Low57.2Low120 Ų120144.2 Ų144.278%0.77985%0.853SS**  -153.716286.838-18000117.4
200A60.5Low57.1Low92 Ų92144.8 Ų144.876%0.7686%0.855SS**  trans80.9107.7139.300000120.2
201C45.8Very low57.2Low139 Ų139148.3 Ų148.394%0.93987%0.866SS**  trans-44.7131.6140.2-107.60000112.1
202A60.6Low57.4Low175 Ų175148.4 Ų148.4100%1.44687%0.873SS**  trans-141.50147.600000107.6

Retrieved 202 of 202 residues in 53.2 ms (Link to these results)

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