A0A087XS25_POEFO Loading...

Acetylcholine receptor subunit beta

After binding acetylcholine, the AChR responds by an extensive change in conformation that affects all subunits and leads to opening of an ion-conducting channel across the plasma membrane.

AlphaFold DB , UniProt , Accession A0A087XS25, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 487 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
1L36.2Very low38.2Very low237 Ų237157.1 Ų157.1100%1.24185%0.848SS**  0108.40-76.1143.7000107.7
2A36Very low38.4Very low99 Ų99154.4 Ų154.482%0.81884%0.842SS**  cis-154.6134.2-11.600000104.9
3L35.7Very low39.1Very low173 Ų173152 Ų15291%0.90683%0.825SS**  trans-74.5129.1178-83.6114.1000110.5
4S37Very low39.5Very low109 Ų109156.9 Ų156.976%0.76283%0.826SS**  trans-87.3118.3166.371.40000109.8
5R40.2Very low40.6Very low230 Ų230156.5 Ų156.587%0.86882%0.817SS**  trans-100.7109.5165.7-84.4-175.7172.4-164.4-1.5107.5T7R5-T7 PolarHBondContact O-N 3.14Å
6F40.3Very low41.8Very low188 Ų188151.6 Ų151.683%0.82580%0.8SS**  trans-83.5101.2161.1-100.7-90000108.1F8F6-F8 PolarHBondContact O-N 3.44Å
7T39.6Very low42.8Very low119 Ų119146.1 Ų146.173%0.7378%0.781SS**  trans-81.5104.7166.9-1.40000108R5 L9R5-T7 PolarHBondContact O-N 3.14Å; T7-L9 PolarHBondContact O-N 3.05Å; T7-L9 VanDerWaalsContact O-N 3.15Å
8F39.1Very low44.5Very low200 Ų200143.4 Ų143.488%0.87778%0.776SS**  trans-67.7103.1162.2-99.9-93.8000107.8F6 S10F6-F8 PolarHBondContact O-N 3.44Å; F8-S10 PolarHBondContact O-N 3.45Å; F8-S10 VanDerWaalsContact O-N 3.14Å
9L41.3Very low46.7Very low158 Ų158140.6 Ų140.683%0.82776%0.757SS**  trans-69104.5162.4-118.685.9000106.9T7 C11T7-L9 PolarHBondContact O-N 3.05Å; T7-L9 VanDerWaalsContact O-N 3.15Å; L9-C11 PolarHBondContact O-N 3.07Å; L9-C11 VanDerWaalsContact O-N 3.07Å
10S38.4Very low48.9Very low104 Ų104134.5 Ų134.573%0.72773%0.725SS**  trans-64.4106.5164.5-172.40000107.4F8 T12F8-S10 PolarHBondContact O-N 3.45Å; F8-S10 VanDerWaalsContact O-N 3.14Å; S10-T12 PolarHBondContact O-N 3.15Å
11C36Very low50.8Low111 Ų111131.4 Ų131.475%0.7571%0.706SS**  trans-70.196.1168.8-1630000106.8L9 I13L9-C11 PolarHBondContact O-N 3.07Å; L9-C11 VanDerWaalsContact O-N 3.07Å; C11-I13 VanDerWaalsContact C-N 3.33Å; C11-I13 PolarHBondContact O-N 3.22Å
12T41.3Very low53.4Low125 Ų125125.5 Ų125.577%0.76767%0.667SS**  trans-61.898.8165.435.60000108S10 R14S10-T12 PolarHBondContact O-N 3.15Å; T12-R14 PolarHBondContact O-N 3.23Å
13I47.3Very low56.1Low123 Ų123126.6 Ų126.663%0.63165%0.65SS**  trans-60.3107.4171.6-61.9168.8000106.9C11 H15C11-I13 VanDerWaalsContact C-N 3.33Å; C11-I13 PolarHBondContact O-N 3.22Å; I13-H15 PolarHBondContact O-N 3.07Å
14R45.2Very low58.8Low221 Ų221118.4 Ų118.483%0.83461%0.607SS**  trans-67.283.1165.4-82.7-175-178.1-179.20108.7T12 S16T12-R14 PolarHBondContact O-N 3.23Å; R14-S16 PolarHBondContact O-N 3.05Å
15H55.5Low61.4Low151 Ų151115.5 Ų115.570%0.69958%0.582SS**  trans-73.480.2160.6-78.3-44.8000108.1I13I13-H15 PolarHBondContact O-N 3.07Å
16S59.3Low63.9Low77 Ų77109.6 Ų109.654%0.53856%0.564SS.*  trans-121.66.6-150.1-173.20000117.7R14R14-S16 PolarHBondContact O-N 3.05Å
17A60.1Low66.4Low58 Ų58105.6 Ų105.648%0.47955%0.546SS..SBendtrans-167.2-43.916900000113.3E19 T20 E21A17-E19 VanDerWaalsContact C-N 3.35Å; A17-E19 PolarHBondContact O-N 2.86Å; A17-T20 PolarHBondContact O-N 3.14Å; A17-T20 PolarHBondContact O-OG1 2.64Å; A17-E21 PolarHBondContact O-N 2.91Å; A17-E21 VanDerWaalsContact O-N 3.14Å
18S73.4Confident69Low98 Ų98100.7 Ų100.769%0.68552%0.515SS*.Hα-helixtrans-68.4-33-173.4177.30000113.1R22S18-R22 PolarHBondContact O-N 2.88Å; S18-R22 VanDerWaalsContact O-N 3.12Å
19E86.5Confident71.7Confident90 Ų9093.7 Ų93.742%0.42148%0.484SS..Hα-helixtrans-77-33.5-179.4-175.262-173.400112.4A17 R22 R23A17-E19 VanDerWaalsContact C-N 3.35Å; A17-E19 PolarHBondContact O-N 2.86Å; E19-R22 WeakPolarHBondContact O-CB 3.47Å; E19-R22 PolarHBondContact O-N 3.12Å; E19-R22 IonicContact OE1-CZ 3.5Å; E19-R22 IonicContact OE1-NE 3.71Å; E19-R22 PolarHBondContact OE1-NE 3Å; E19-R22 IonicContact OE1-NH2 3.09Å; E19-R22 PolarHBondContact OE1-NH2 2.99Å; E19-R22 IonicContact OE2-CZ 3.55Å; E19-R22 IonicContact OE2-NE 3.56Å; E19-R22 PolarHBondContact OE2-NE 3.08Å; E19-R22 IonicContact OE2-NH2 2.71Å; E19-R23 PolarHBondContact O-N 2.92Å
20T89.2Confident74Confident18 Ų1893 Ų9311%0.1148%0.477CS..Hα-helixtrans-71.9-38.4175.735.20000111.8A17 R23 L24 D90A17-T20 PolarHBondContact O-N 3.14Å; A17-T20 PolarHBondContact O-OG1 2.64Å; T20-R23 PolarHBondContact O-N 2.96Å; T20-L24 WeakPolarHBondContact O-CB 3.3Å; T20-L24 PolarHBondContact O-N 2.98Å; T20-D90 VanDerWaalsContact CB-OD2 3.3Å; T20-D90 WeakPolarHBondContact CB-OD2 3.45Å; T20-D90 WeakPolarHBondContact CG2-OD2 3.35Å; T20-D90 PolarHBondContact OG1-OD2 3Å
21E89.8Confident76.5Confident71 Ų7195.8 Ų95.833%0.33248%0.484SS..Hα-helixtrans-62-42.3170.1-171.4176.2-168.900111.6A17 R23 L24 H25 I92A17-E21 PolarHBondContact O-N 2.91Å; A17-E21 VanDerWaalsContact O-N 3.14Å; E21-R23 PolarHBondContact O-N 3.05Å; E21-L24 PolarHBondContact O-N 2.84Å; E21-H25 PolarHBondContact O-CD2 2.93Å; E21-H25 PolarHBondContact O-N 2.96Å; E21-I92 HydrophobicContact CB-CD1 4.04Å
22R90.1Very high79.4Confident112 Ų11291.9 Ų91.942%0.42345%0.454SS..Hα-helixtrans-58.6-45.5174-171.5-175.874.876.2-4112S18 E19 H25 Q26S18-R22 PolarHBondContact O-N 2.88Å; S18-R22 VanDerWaalsContact O-N 3.12Å; E19-R22 WeakPolarHBondContact O-CB 3.47Å; E19-R22 PolarHBondContact O-N 3.12Å; E19-R22 IonicContact OE1-CZ 3.5Å; E19-R22 IonicContact OE1-NE 3.71Å; E19-R22 PolarHBondContact OE1-NE 3Å; E19-R22 IonicContact OE1-NH2 3.09Å; E19-R22 PolarHBondContact OE1-NH2 2.99Å; E19-R22 IonicContact OE2-CZ 3.55Å; E19-R22 IonicContact OE2-NE 3.56Å; E19-R22 PolarHBondContact OE2-NE 3.08Å; E19-R22 IonicContact OE2-NH2 2.71Å; R22-H25 PolarHBondContact O-N 3.45Å; R22-Q26 WeakPolarHBondContact O-CG 3.23Å; R22-Q26 PolarHBondContact O-N 3.4Å
23R92.6Very high81.9Confident123 Ų12389.8 Ų89.846%0.46444%0.438SS..Hα-helixtrans-63.6-40.7177.1-173.3179.269.3176.63.2111.7E19 T20 E21 Q26 K27 E88 Y89E19-R23 PolarHBondContact O-N 2.92Å; T20-R23 PolarHBondContact O-N 2.96Å; E21-R23 PolarHBondContact O-N 3.05Å; R23-Q26 PolarHBondContact O-N 3.07Å; R23-K27 PolarHBondContact O-N 2.91Å; R23-K27 VanDerWaalsContact O-N 3.08Å; R23-E88 PolarHBondContact NH2-O 3.16Å; R23-Y89 HydrophobicContact CG-CE1 4.38Å
24L93.3Very high84.1Confident0 Ų086.6 Ų86.60%042%0.424CS..Hα-helixtrans-62.7-49.2176.2178.758.5000110.9T20 E21 Q26 K27 L28 W84 Y89 I92 V95T20-L24 WeakPolarHBondContact O-CB 3.3Å; T20-L24 PolarHBondContact O-N 2.98Å; E21-L24 PolarHBondContact O-N 2.84Å; L24-Q26 VanDerWaalsContact C-N 3.32Å; L24-Q26 PolarHBondContact O-N 3.28Å; L24-K27 PolarHBondContact O-N 2.98Å; L24-K27 VanDerWaalsContact O-N 3.13Å; L24-L28 HydrophobicContact CD1-CD1 4Å; L24-L28 HydrophobicContact CD1-CD2 4.39Å; L24-L28 HydrophobicContact CD1-CG 3.97Å; L24-L28 HydrophobicContact CG-CD1 3.95Å; L24-L28 HydrophobicContact CG-CG 4.33Å; L24-L28 WeakPolarHBondContact O-CG 3.22Å; L24-L28 PolarHBondContact O-N 3.44Å; L24-W84 HydrophobicContact CD1-CB 3.9Å; L24-W84 HydrophobicContact CD1-CD2 4.04Å; L24-W84 HydrophobicContact CD1-CG 3.74Å; L24-W84 HydrophobicContact CD2-CD2 3.97Å; L24-W84 HydrophobicContact CD2-CG 4.2Å; L24-W84 HydrophobicContact CD2-CZ2 4.14Å; L24-Y89 HydrophobicContact CB-CD1 3.7Å; L24-Y89 HydrophobicContact CB-CE1 3.99Å; L24-Y89 HydrophobicContact CB-CG 4.26Å; L24-Y89 HydrophobicContact CD1-CD1 4.14Å; L24-Y89 HydrophobicContact CD1-CD2 4.02Å; L24-Y89 HydrophobicContact CD1-CE1 4.13Å; L24-Y89 HydrophobicContact CD1-CE2 4.03Å; L24-Y89 HydrophobicContact CD1-CG 4.1Å; L24-Y89 HydrophobicContact CD2-CG 4.48Å; L24-Y89 HydrophobicContact CG-CD1 4.39Å; L24-I92 HydrophobicContact CD2-CG2 4.29Å; L24-V95 HydrophobicContact CD2-CG2 3.74Å
25H92.3Very high86.3Confident49 Ų4984.9 Ų84.923%0.22742%0.423CS..Hα-helixtrans-54.8-46.5174.8-90.7-75.8000112.3E21 R22 K27 L28 F29 V95E21-H25 PolarHBondContact O-CD2 2.93Å; E21-H25 PolarHBondContact O-N 2.96Å; R22-H25 PolarHBondContact O-N 3.45Å; H25-K27 VanDerWaalsContact C-N 3.32Å; H25-K27 PolarHBondContact O-N 3.17Å; H25-L28 PolarHBondContact O-N 2.81Å; H25-F29 AromaticContact ND1-CE2 3.63Å; H25-F29 WeakPolarHBondContact O-CD2 3.15Å; H25-F29 PolarHBondContact O-N 3.34Å; H25-F29 VanDerWaalsContact O-N 3.14Å; H25-V95 WeakPolarHBondContact NE2-CG1 3.26Å
26Q92.6Very high88.1Confident105 Ų10581.3 Ų81.349%0.49141%0.411SS..Hα-helixtrans-61.5-40178.6-74-178.1-23.200112.2R22 R23 L24 Q30R22-Q26 WeakPolarHBondContact O-CG 3.23Å; R22-Q26 PolarHBondContact O-N 3.4Å; R23-Q26 PolarHBondContact O-N 3.07Å; L24-Q26 VanDerWaalsContact C-N 3.32Å; L24-Q26 PolarHBondContact O-N 3.28Å; Q26-Q30 VanDerWaalsContact O-CG 3.26Å; Q26-Q30 WeakPolarHBondContact O-CG 3.39Å; Q26-Q30 PolarHBondContact O-N 3.14Å; Q26-Q30 PolarHBondContact O-NE2 3.05Å
27K92.8Very high89.7Confident105 Ų10579.3 Ų79.346%0.45739%0.392SS..Hα-helixtrans-67.2-44.3177-176.2178.3177-179.30112.3R23 L24 H25 F29 E88 Y89R23-K27 PolarHBondContact O-N 2.91Å; R23-K27 VanDerWaalsContact O-N 3.08Å; L24-K27 PolarHBondContact O-N 2.98Å; L24-K27 VanDerWaalsContact O-N 3.13Å; H25-K27 VanDerWaalsContact C-N 3.32Å; H25-K27 PolarHBondContact O-N 3.17Å; K27-F29 VanDerWaalsContact C-N 3.3Å; K27-F29 PolarHBondContact O-N 2.86Å; K27-E88 IonicContact NZ-OE2 3.2Å; K27-Y89 WeakPolarHBondContact CD-OH 3.09Å; K27-Y89 PolarHBondContact NZ-OH 2.82Å
28L93.4Very high91.4Very high16 Ų1677 Ų778%0.08437%0.371CS..Hα-helixtrans-64.8-33.7-178-68.8176.9000112.6L24 H25 L82 W84L24-L28 HydrophobicContact CD1-CD1 4Å; L24-L28 HydrophobicContact CD1-CD2 4.39Å; L24-L28 HydrophobicContact CD1-CG 3.97Å; L24-L28 HydrophobicContact CG-CD1 3.95Å; L24-L28 HydrophobicContact CG-CG 4.33Å; L24-L28 WeakPolarHBondContact O-CG 3.22Å; L24-L28 PolarHBondContact O-N 3.44Å; H25-L28 PolarHBondContact O-N 2.81Å; L28-L82 HydrophobicContact CB-CD2 4.46Å; L28-W84 HydrophobicContact CD1-CE3 4.04Å; L28-W84 HydrophobicContact CD1-CZ3 4.17Å; L28-W84 HydrophobicContact CD2-CE3 4.31Å
29F94.7Very high92.3Very high52 Ų5273.1 Ų73.123%0.22835%0.346CS..THydrogen-bonded Turntrans-102.48.6-174.1-67.4-69.2000115.4H25 K27 Y32 L82 I97 K101 V102H25-F29 AromaticContact ND1-CE2 3.63Å; H25-F29 WeakPolarHBondContact O-CD2 3.15Å; H25-F29 PolarHBondContact O-N 3.34Å; H25-F29 VanDerWaalsContact O-N 3.14Å; K27-F29 VanDerWaalsContact C-N 3.3Å; K27-F29 PolarHBondContact O-N 2.86Å; F29-Y32 HydrophobicContact CD1-CD1 4.2Å; F29-Y32 HydrophobicContact CD1-CG 4.13Å; F29-Y32 HydrophobicContact CE1-CD1 4.18Å; F29-Y32 HydrophobicContact CE1-CG 4.29Å; F29-L82 HydrophobicContact CE1-CD2 4.42Å; F29-L82 HydrophobicContact CZ-CD2 4.31Å; F29-I97 HydrophobicContact CE1-CG2 4.48Å; F29-I97 HydrophobicContact CE2-CD1 3.83Å; F29-I97 HydrophobicContact CE2-CG2 3.97Å; F29-I97 HydrophobicContact CZ-CD1 3.61Å; F29-I97 HydrophobicContact CZ-CG2 3.55Å; F29-K101 HydrophobicContact CE1-CB 4.22Å; F29-K101 VanDerWaalsContact CE1-O 3.31Å; F29-K101 WeakPolarHBondContact CE1-O 2.79Å; F29-V102 HydrophobicContact CE1-CG1 4.17Å; F29-V102 HydrophobicContact CZ-CG1 4.12Å
30Q91Very high92.6Very high144 Ų14477.1 Ų77.167%0.67336%0.357SS*.SBendtrans-61.5-48.1177.9-94.2162.327.700112.6Q26Q26-Q30 VanDerWaalsContact O-CG 3.26Å; Q26-Q30 WeakPolarHBondContact O-CG 3.39Å; Q26-Q30 PolarHBondContact O-N 3.14Å; Q26-Q30 PolarHBondContact O-NE2 3.05Å
31D91.1Very high92.7Very high163 Ų16382.8 Ų82.887%0.87238%0.382SS*.SBendtrans-120.721.9-176.9-66.3-42.8000112.9N33D31-N33 PolarHBondContact O-N 3.19Å
32Y95.2Very high92.6Very high28 Ų2888.8 Ų88.811%0.1140%0.401CS..  trans-83.2116.4-175-169.2-88000111.9F29 V34 D79 R81 L82 K101 W103F29-Y32 HydrophobicContact CD1-CD1 4.2Å; F29-Y32 HydrophobicContact CD1-CG 4.13Å; F29-Y32 HydrophobicContact CE1-CD1 4.18Å; F29-Y32 HydrophobicContact CE1-CG 4.29Å; Y32-V34 HydrophobicContact CD1-CG2 4.04Å; Y32-V34 HydrophobicContact CE1-CG2 3.97Å; Y32-D79 WeakPolarHBondContact CE2-OD2 2.92Å; Y32-D79 PolarHBondContact OH-OD2 3.14Å; Y32-R81 HydrophobicContact CD2-CB 4.08Å; Y32-R81 HydrophobicContact CE2-CB 4.04Å; Y32-R81 PolarHBondContact OH-NH2 2.98Å; Y32-L82 HydrophobicContact CD2-CD2 3.98Å; Y32-L82 HydrophobicContact CE2-CD1 4.32Å; Y32-L82 HydrophobicContact CE2-CD2 3.77Å; Y32-L82 HydrophobicContact CE2-CG 3.88Å; Y32-K101 WeakPolarHBondContact CE1-O 3.35Å; Y32-W103 PolarHBondContact OH-N 3.07Å
33N93.8Very high92.6Very high82 Ų8290.7 Ų90.744%0.43941%0.413SS..  trans-100.7113.2172.7-168.9-17.1000111.5D31 K35 V36 R81D31-N33 PolarHBondContact O-N 3.19Å; N33-K35 VanDerWaalsContact C-N 3.27Å; N33-K35 PolarHBondContact O-N 2.74Å; N33-K35 PolarHBondContact OD1-N 3.47Å; N33-V36 HydrophobicContact CB-CG2 4.17Å; N33-V36 PolarHBondContact O-N 2.82Å; N33-R81 PolarHBondContact O-NH1 2.92Å
34V93.8Very high92.7Very high55 Ų5589 Ų8933%0.33341%0.41SS..THydrogen-bonded Turntrans-63.9-28.6179.8-179.90000113Y32 V36 K101 V102 W103Y32-V34 HydrophobicContact CD1-CG2 4.04Å; Y32-V34 HydrophobicContact CE1-CG2 3.97Å; V34-V36 VanDerWaalsContact C-N 3.29Å; V34-V36 PolarHBondContact O-N 2.91Å; V34-K101 VanDerWaalsContact CG2-O 3.29Å; V34-K101 WeakPolarHBondContact CG2-O 3.48Å; V34-V102 WeakPolarHBondContact CG1-O 3.4Å; V34-W103 WeakPolarHBondContact O-CB 3.41Å; V34-W103 VanDerWaalsContact O-CD1 3.28Å
35K92.1Very high92.7Very high186 Ų18695 Ų9581%0.80943%0.433SS*.THydrogen-bonded Turntrans-79.6-12.5-175-61.7-176.8178.6-177.20113.5N33N33-K35 VanDerWaalsContact C-N 3.27Å; N33-K35 PolarHBondContact O-N 2.74Å; N33-K35 PolarHBondContact OD1-N 3.47Å
36V92.6Very high92.8Very high75 Ų7592.9 Ų92.946%0.45542%0.423SS..SBendtrans-101.7126.5-174.6-1780000109.4N33 V34 R81N33-V36 HydrophobicContact CB-CG2 4.17Å; N33-V36 PolarHBondContact O-N 2.82Å; V34-V36 VanDerWaalsContact C-N 3.29Å; V34-V36 PolarHBondContact O-N 2.91Å; V36-R81 PolarHBondContact O-NH1 2.89Å; V36-R81 PolarHBondContact O-NH2 3.44Å; V36-R81 VanDerWaalsContact O-NH2 3.1Å
37R94.1Very high92.9Very high35 Ų3590.1 Ų90.113%0.13241%0.414CS..  trans-61.9141175.565.5179.7170.7108.52.9111A39 W42 E44 W103 Y168 E172R37-A39 PolarHBondContact O-N 3.13Å; R37-W42 PolarHBondContact NH2-O 3.4Å; R37-E44 PolarHBondContact NH1-O 2.92Å; R37-W103 HydrophobicContact CB-CZ2 3.91Å; R37-Y168 HydrophobicContact CB-CE1 4.41Å; R37-E172 IonicContact CZ-OE1 2.86Å; R37-E172 IonicContact NE-OE1 2.79Å; R37-E172 PolarHBondContact NE-OE1 3.13Å; R37-E172 PolarHBondContact NH1-O 2.84Å; R37-E172 IonicContact NH2-OE1 3.31Å; R37-E172 PolarHBondContact NH2-OE1 3.35Å
38P94.9Very high93.1Very high9 Ų985.1 Ų85.16%0.05839%0.392CS..SBendtrans-78.668.1-174.133-38.2000112.4V46 D79 Y80 W103P38-V46 HydrophobicContact CG-CG1 4.19Å; P38-V46 HydrophobicContact CG-CG2 4.04Å; P38-D79 HydrophobicContact CB-CB 3.92Å; P38-D79 WeakPolarHBondContact CB-OD1 3.13Å; P38-D79 HydrophobicContact CG-CB 4.29Å; P38-Y80 HydrophobicContact CB-CD1 4.49Å; P38-W103 HydrophobicContact CG-CD2 4.19Å; P38-W103 HydrophobicContact CG-CE3 3.63Å; P38-W103 HydrophobicContact CG-CH2 4.47Å; P38-W103 HydrophobicContact CG-CZ3 3.79Å
39A93.7Very high93.2Very high17 Ų1787 Ų8714%0.1440%0.398CS..  trans-115.6135.4175.100000109.8R37 H41 E44R37-A39 PolarHBondContact O-N 3.13Å; A39-H41 VanDerWaalsContact C-N 3.32Å; A39-H41 WeakPolarHBondContact CB-O 3.37Å; A39-E44 HydrophobicContact CB-CB 4.3Å
40R91.1Very high93.3Very high175 Ų17584.6 Ų84.666%0.6639%0.388SS*.SBendtrans-72.6-34.3177.6-65-179.2174.3-175.80.9111E44 Y80R40-E44 WeakPolarHBondContact CB-OE2 3.47Å; R40-E44 PolarHBondContact N-OE2 3.41Å; R40-Y80 HydrophobicContact CG-CD1 4.03Å; R40-Y80 HydrophobicContact CG-CD2 4.4Å; R40-Y80 HydrophobicContact CG-CE1 4.11Å; R40-Y80 HydrophobicContact CG-CE2 4.46Å; R40-Y80 HydrophobicContact CG-CG 4.19Å
41H93Very high93.5Very high136 Ų13678 Ų7863%0.6336%0.359SS*.SBendtrans-126150.4176.3-59-59.3000110.1A39 K43 E44A39-H41 VanDerWaalsContact C-N 3.32Å; A39-H41 WeakPolarHBondContact CB-O 3.37Å; H41-K43 PolarHBondContact O-N 3.08Å; H41-E44 WeakPolarHBondContact O-CB 3.05Å; H41-E44 PolarHBondContact O-N 3.24Å
42W86.4Confident93.6Very high197 Ų19770.3 Ų70.375%0.74632%0.317SS*.THydrogen-bonded Turntrans-62.1-26.4-178.766-92.1000114.2R37R37-W42 PolarHBondContact NH2-O 3.4Å
43K91.2Very high93.6Very high152 Ų15270 Ų7066%0.66132%0.319SS*.THydrogen-bonded Turntrans-79.7-15.8176.4-69.5-171.1177.9-175.50114H41H41-K43 PolarHBondContact O-N 3.08Å
44E93.8Very high93.7Very high88 Ų8866.3 Ų66.341%0.41130%0.299SS..PPolyproline II helixtrans-75.8140.9-178.3-170.7176.3-16400109.5R37 A39 R40 H41R37-E44 PolarHBondContact NH1-O 2.92Å; A39-E44 HydrophobicContact CB-CB 4.3Å; R40-E44 WeakPolarHBondContact CB-OE2 3.47Å; R40-E44 PolarHBondContact N-OE2 3.41Å; H41-E44 WeakPolarHBondContact O-CB 3.05Å; H41-E44 PolarHBondContact O-N 3.24Å
45R93.3Very high93.6Very high125 Ų12564.7 Ų64.747%0.47229%0.29SS..PPolyproline II helixtrans-99.7140.5179-62.5-178.4-172.2-173.63.2109.5A170 S171 E172 D174R45-A170 VanDerWaalsContact CD-O 3.3Å; R45-A170 WeakPolarHBondContact CD-O 3.38Å; R45-A170 PolarHBondContact NE-O 2.98Å; R45-A170 PolarHBondContact NH1-O 2.71Å; R45-S171 VanDerWaalsContact CG-O 3.31Å; R45-S171 WeakPolarHBondContact CG-O 3.28Å; R45-E172 WeakPolarHBondContact CA-O 3.45Å; R45-D174 HydrophobicContact CB-CB 4.45Å
46V95.2Very high93.7Very high5 Ų559.2 Ų59.23%0.0327%0.267CS..EExtended strand (participates in β ladder)trans-87.5116.4171.9-177.20000107.8P38 V48 W77 W103 E172 V173 D174P38-V46 HydrophobicContact CG-CG1 4.19Å; P38-V46 HydrophobicContact CG-CG2 4.04Å; V46-V48 HydrophobicContact CG1-CG2 4.24Å; V46-V48 PolarHBondContact O-N 3.12Å; V46-W77 HydrophobicContact CG1-CB 4.45Å; V46-W103 HydrophobicContact CB-CH2 4.4Å; V46-W103 HydrophobicContact CG1-CH2 3.98Å; V46-W103 HydrophobicContact CG1-CZ3 4.04Å; V46-E172 PolarHBondContact N-O 3.25Å; V46-V173 WeakPolarHBondContact O-CA 3.33Å; V46-D174 PolarHBondContact O-N 2.81Å
47T94.8Very high93.8Very high48 Ų4855.8 Ų55.829%0.29425%0.246SC..EExtended strand (participates in β ladder)trans-76.3120.5173.9-550000109.6D174 Q176T47-D174 WeakPolarHBondContact CA-O 3.39Å; T47-Q176 HydrophobicContact CG2-CB 4.21Å; T47-Q176 HydrophobicContact CG2-CG 3.78Å
48V96.2Very high93.8Very high0 Ų057.9 Ų57.90%026%0.259CS..EExtended strand (participates in β ladder)trans-116.1114.8176.9178.80000108V46 V50 W77 P105 I107 V173 D174 L175 Q176V46-V48 HydrophobicContact CG1-CG2 4.24Å; V46-V48 PolarHBondContact O-N 3.12Å; V48-V50 HydrophobicContact CG1-CG2 4.16Å; V48-W77 HydrophobicContact CG2-CB 4.15Å; V48-P105 HydrophobicContact CG1-CB 4.14Å; V48-P105 HydrophobicContact CG1-CG 3.79Å; V48-P105 HydrophobicContact CG2-CB 3.85Å; V48-P105 HydrophobicContact CG2-CG 4.02Å; V48-I107 HydrophobicContact CG1-CD1 4.47Å; V48-I107 HydrophobicContact CG1-CG1 4.4Å; V48-V173 HydrophobicContact CB-CG1 4.12Å; V48-V173 HydrophobicContact CG2-CG1 3.65Å; V48-D174 PolarHBondContact N-O 2.92Å; V48-L175 HydrophobicContact CB-CD2 4.23Å; V48-L175 HydrophobicContact CG1-CD2 4.5Å; V48-Q176 PolarHBondContact O-N 3.22Å
49R95.6Very high93.7Very high54 Ų5458.3 Ų58.320%0.20427%0.265CS..EExtended strand (participates in β ladder)trans-87.6124.3174.9-65.9-178.5-180-77.7-4.2109.5L75 N76 Q176 V177 Y178 L179R49-L75 WeakPolarHBondContact O-CA 3.42Å; R49-N76 HydrophobicContact CB-CB 4.25Å; R49-N76 PolarHBondContact N-O 3.43Å; R49-N76 PolarHBondContact O-N 3.35Å; R49-Q176 CarbonylContact C-O 3.58Å; R49-Q176 VanDerWaalsContact CA-O 3.26Å; R49-Q176 WeakPolarHBondContact CA-O 3Å; R49-Q176 HydrophobicContact CG-CB 4.13Å; R49-Q176 VanDerWaalsContact NH2-OE1 3.13Å; R49-V177 PolarHBondContact NH1-O 3.44Å; R49-V177 VanDerWaalsContact NH1-O 3.17Å; R49-Y178 HydrophobicContact CB-CD2 4.38Å; R49-L179 VanDerWaalsContact NH1-CG 3.26Å
50V96Very high93.7Very high2 Ų258 Ų581%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-115.1123.8-179.9-172.60000109V48 M73 L75 L175 Q176 Y178 I221 F223V48-V50 HydrophobicContact CG1-CG2 4.16Å; V50-M73 HydrophobicContact CG1-CE 3.88Å; V50-L75 HydrophobicContact CB-CD2 4.14Å; V50-L75 HydrophobicContact CG1-CD2 3.87Å; V50-L75 HydrophobicContact CG2-CD2 3.79Å; V50-L175 HydrophobicContact CG2-CD2 4.28Å; V50-Q176 PolarHBondContact N-O 3.28Å; V50-Y178 PolarHBondContact O-N 2.93Å; V50-I221 HydrophobicContact CB-CD1 3.67Å; V50-I221 HydrophobicContact CG2-CD1 3.89Å; V50-F223 HydrophobicContact CG1-CE2 4.33Å; V50-F223 HydrophobicContact CG1-CZ 4.43Å
51G95.3Very high93.7Very high6 Ų652.7 Ų52.76%0.06225%0.246CC..EExtended strand (participates in β ladder)trans-130.2168.9169.100000109.8N74G51-N74 PolarHBondContact N-O 3.14Å; G51-N74 PolarHBondContact O-N 3.32Å
52M94.8Very high93.5Very high1 Ų147.6 Ų47.61%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-142.9132.6-179.9-174.4173.567.400109.6V71 F72 M73 M161 F163 I189 V190 F223M52-V71 HydrophobicContact CG-CB 3.86Å; M52-V71 HydrophobicContact CG-CG1 4.08Å; M52-V71 HydrophobicContact CG-CG2 4.29Å; M52-V71 HydrophobicContact SD-CB 4.06Å; M52-V71 HydrophobicContact SD-CG1 3.8Å; M52-V71 HydrophobicContact SD-CG2 4.16Å; M52-F72 WeakPolarHBondContact CA-O 3.48Å; M52-M73 HydrophobicContact CB-SD 4.35Å; M52-M73 HydrophobicContact CG-SD 4.01Å; M52-M73 HydrophobicContact SD-SD 4.2Å; M52-M161 HydrophobicContact CE-CE 3.44Å; M52-M161 VanDerWaalsContact CE-CE 3.44Å; M52-M161 HydrophobicContact CE-SD 4.26Å; M52-M161 HydrophobicContact SD-CE 4.18Å; M52-M161 HydrophobicContact SD-SD 4.22Å; M52-F163 HydrophobicContact SD-CE2 4.1Å; M52-F163 HydrophobicContact SD-CZ 4.41Å; M52-I189 HydrophobicContact CE-CB 4.27Å; M52-I189 HydrophobicContact CE-CD1 3.55Å; M52-I189 HydrophobicContact CE-CG1 3.6Å; M52-I189 HydrophobicContact CE-CG2 3.7Å; M52-V190 PolarHBondContact O-N 2.72Å; M52-F223 HydrophobicContact CB-CD1 4.2Å; M52-F223 HydrophobicContact CB-CD2 4.43Å; M52-F223 HydrophobicContact CB-CE1 3.83Å; M52-F223 HydrophobicContact CB-CE2 4.08Å; M52-F223 HydrophobicContact CB-CG 4.49Å; M52-F223 HydrophobicContact CB-CZ 3.77Å; M52-F223 HydrophobicContact CE-CB 3.52Å; M52-F223 HydrophobicContact CE-CD1 3.85Å; M52-F223 HydrophobicContact CE-CD2 3.99Å; M52-F223 HydrophobicContact CE-CG 3.51Å; M52-F223 HydrophobicContact SD-CD2 4.26Å; M52-F223 HydrophobicContact SD-CG 4.37Å
53T94.4Very high93.4Very high23 Ų2344.8 Ų44.814%0.14122%0.216CC..EExtended strand (participates in β ladder)trans-110.3117.4171.5-53.70000108.7V71 F72 N74 V190 D192T53-V71 CarbonylContact O-C 3.59Å; T53-V71 WeakPolarHBondContact O-CA 3.43Å; T53-F72 PolarHBondContact N-O 2.9Å; T53-F72 PolarHBondContact O-N 2.76Å; T53-N74 PolarHBondContact OG1-ND2 3.41Å; T53-V190 CarbonylContact C-O 3.55Å; T53-V190 WeakPolarHBondContact CA-O 3.16Å; T53-V190 HydrophobicContact CG2-CB 4.38Å; T53-V190 HydrophobicContact CG2-CG1 4.31Å; T53-D192 HydrophobicContact CG2-CB 4.39Å
54L94.9Very high93.1Very high3 Ų341.4 Ų41.42%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-81.6121.4177.8-179.768.9000109.9T69 V71 I189 V190 I191 F196 I204 L225L54-T69 HydrophobicContact CD1-CG2 4.35Å; L54-V71 HydrophobicContact CD1-CG1 3.71Å; L54-I189 HydrophobicContact CB-CG2 3.73Å; L54-V190 PolarHBondContact N-O 3.19Å; L54-I191 HydrophobicContact CB-CG1 4.34Å; L54-I191 HydrophobicContact CD2-CD1 4.48Å; L54-F196 HydrophobicContact CD2-CE2 4.04Å; L54-F196 HydrophobicContact CG-CE2 4.29Å; L54-I204 HydrophobicContact CD2-CD1 3.51Å; L54-L225 HydrophobicContact CD2-CD1 3.95Å
55S93.4Very high92.9Very high21 Ų2137.9 Ų37.915%0.14719%0.192CC..EExtended strand (participates in β ladder)trans-89.9-47.2174.7-177.70000111N70 F196 T197S55-N70 WeakPolarHBondContact CA-O 3.49Å; S55-N70 WeakPolarHBondContact CB-O 3.46Å; S55-N70 PolarHBondContact N-O 3.01Å; S55-F196 WeakPolarHBondContact O-CA 3.29Å; S55-F196 VanDerWaalsContact O-CD2 3.28Å; S55-F196 WeakPolarHBondContact O-CD2 3.15Å; S55-T197 PolarHBondContact O-N 3.13Å
56Q93.8Very high92.9Very high72 Ų7232.7 Ų32.734%0.33617%0.173SC..EExtended strand (participates in β ladder)trans-155.1137.3179.4-172.6-178.4-0.200111.1N70Q56-N70 HydrophobicContact CB-CB 4.3Å; Q56-N70 PolarHBondContact N-O 2.96Å; Q56-N70 VanDerWaalsContact N-O 3.13Å; Q56-N70 PolarHBondContact O-N 2.86Å
57L94.5Very high92.9Very high2 Ų232.5 Ų32.51%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-85.4105160.8176.565.5000108M67 T69 N199 W202 L225 I227L57-M67 HydrophobicContact CD1-CG 3.95Å; L57-M67 HydrophobicContact CD1-SD 4.06Å; L57-T69 HydrophobicContact CD1-CG2 3.85Å; L57-N199 PolarHBondContact O-ND2 3.43Å; L57-W202 HydrophobicContact CD2-CB 3.82Å; L57-W202 HydrophobicContact CD2-CG 4.4Å; L57-L225 HydrophobicContact CD2-CD2 4.38Å; L57-I227 HydrophobicContact CD2-CD1 4.31Å; L57-I227 HydrophobicContact CD2-CG2 3.91Å
58I93.2Very high92.9Very high80 Ų8031.4 Ų31.441%0.4117%0.165SC..EExtended strand (participates in β ladder)trans-68.8-46.2-176.9-66.3173000109.6T68 N70 I140 N199I58-T68 HydrophobicContact CB-CG2 4.03Å; I58-T68 WeakPolarHBondContact CB-O 3.3Å; I58-T68 HydrophobicContact CD1-CG2 3.81Å; I58-T68 HydrophobicContact CG1-CG2 4.43Å; I58-T68 HydrophobicContact CG2-CG2 4.28Å; I58-T68 PolarHBondContact N-O 3.31Å; I58-N70 HydrophobicContact CD1-CB 4.32Å; I58-I140 HydrophobicContact CD1-CG2 4.4Å; I58-N199 PolarHBondContact O-ND2 3.27Å
59G92.8Very high92.8Very high18 Ų1831.4 Ų31.419%0.18617%0.165CC..EExtended strand (participates in β ladder)trans168.6173.2175.800000113T68G59-T68 PolarHBondContact N-O 2.63Å; G59-T68 PolarHBondContact O-N 3.46Å
60L93.5Very high92.7Very high11 Ų1130.7 Ų30.76%0.05817%0.165CC..EExtended strand (participates in β ladder)trans-119121.6173.4-174.967.2000107.2M67 C145 I147 Q157 W202 I227L60-M67 HydrophobicContact CD1-CB 3.65Å; L60-M67 HydrophobicContact CD1-CG 4.22Å; L60-C145 HydrophobicContact CD1-CB 4.32Å; L60-I147 HydrophobicContact CD1-CD1 3.88Å; L60-I147 HydrophobicContact CD2-CD1 3.6Å; L60-I147 HydrophobicContact CG-CD1 3.84Å; L60-Q157 HydrophobicContact CD2-CB 4.17Å; L60-Q157 HydrophobicContact CD2-CG 3.84Å; L60-W202 HydrophobicContact CB-CZ2 3.97Å; L60-W202 HydrophobicContact CD2-CH2 3.73Å; L60-W202 HydrophobicContact CD2-CZ2 3.57Å; L60-W202 HydrophobicContact CG-CZ2 4.33Å; L60-I227 HydrophobicContact CD2-CD1 4.16Å
61N91.5Very high92.7Very high63 Ų6330.6 Ų30.634%0.33717%0.165SC..EExtended strand (participates in β ladder)trans-94.8103.3174-179-14000108.4K63 N64 G65 E66N61-K63 VanDerWaalsContact C-N 3.31Å; N61-K63 PolarHBondContact O-N 2.96Å; N61-K63 PolarHBondContact OD1-N 3.49Å; N61-N64 PolarHBondContact ND2-ND2 3.2Å; N61-N64 VanDerWaalsContact ND2-ND2 3.13Å; N61-N64 PolarHBondContact O-N 3.03Å; N61-N64 PolarHBondContact OD1-N 2.8Å; N61-G65 WeakPolarHBondContact O-CA 3.17Å; N61-G65 PolarHBondContact O-N 2.87Å; N61-E66 HydrophobicContact CB-CB 4.45Å; N61-E66 PolarHBondContact N-O 2.85Å; N61-E66 PolarHBondContact O-N 2.8Å; N61-E66 VanDerWaalsContact O-N 3.09Å
62E88.3Confident92.6Very high29 Ų2933.4 Ų33.414%0.13618%0.175CC..THydrogen-bonded Turntrans-69.2-31.9-174.5-57.586.716600112.4N64 I147 R229 P285E62-N64 VanDerWaalsContact C-N 3.34Å; E62-N64 PolarHBondContact O-N 3.18Å; E62-I147 HydrophobicContact CB-CG2 4.38Å; E62-I147 HydrophobicContact CG-CG2 4.34Å; E62-R229 IonicContact OE1-CZ 2.9Å; E62-R229 IonicContact OE1-NH1 3.83Å; E62-R229 PolarHBondContact OE1-NH1 2.77Å; E62-R229 IonicContact OE1-NH2 3.8Å; E62-R229 PolarHBondContact OE1-NH2 3.43Å; E62-P285 HydrophobicContact CB-CG 4.44Å; E62-P285 WeakPolarHBondContact O-CB 3.42Å
63K84.6Confident92.6Very high138 Ų13833.5 Ų33.560%0.618%0.176SC*.THydrogen-bonded Turntrans-65.1-39.5179.4-172.5172.8-177.7166.30112N61N61-K63 VanDerWaalsContact C-N 3.31Å; N61-K63 PolarHBondContact O-N 2.96Å; N61-K63 PolarHBondContact OD1-N 3.49Å
64N86.4Confident92.6Very high81 Ų8133.4 Ų33.443%0.43317%0.174SC..THydrogen-bonded Turntrans-95.6-12.1-178.9-64.7-5.7000113N61 E62 E66N61-N64 PolarHBondContact ND2-ND2 3.2Å; N61-N64 VanDerWaalsContact ND2-ND2 3.13Å; N61-N64 PolarHBondContact O-N 3.03Å; N61-N64 PolarHBondContact OD1-N 2.8Å; E62-N64 VanDerWaalsContact C-N 3.34Å; E62-N64 PolarHBondContact O-N 3.18Å; N64-E66 HydrophobicContact CB-CB 4.18Å
65G88.9Confident92.6Very high13 Ų1333.6 Ų33.613%0.13418%0.175CC..THydrogen-bonded Turntrans63.840.7-171.600000112.4N61 S144 C145N61-G65 WeakPolarHBondContact O-CA 3.17Å; N61-G65 PolarHBondContact O-N 2.87Å; G65-S144 WeakPolarHBondContact O-CA 3.45Å; G65-C145 CarbonylContact C-O 3.52Å; G65-C145 WeakPolarHBondContact CA-O 3.45Å; G65-C145 PolarHBondContact O-N 2.88Å
66E92.9Very high92.7Very high17 Ų1733.7 Ų33.78%0.07917%0.174CC..EExtended strand (participates in β ladder)trans-121.6122.5-172.3-179.1-175.9175.600110.8N61 N64 H113 R142N61-E66 HydrophobicContact CB-CB 4.45Å; N61-E66 PolarHBondContact N-O 2.85Å; N61-E66 PolarHBondContact O-N 2.8Å; N61-E66 VanDerWaalsContact O-N 3.09Å; N64-E66 HydrophobicContact CB-CB 4.18Å; E66-H113 HydrophobicContact CG-CB 4.22Å; E66-H113 IonicContact OE2-CE1 2.84Å; E66-H113 IonicContact OE2-ND1 2.78Å; E66-H113 PolarHBondContact OE2-ND1 3.33Å; E66-R142 HydrophobicContact CG-CB 4.17Å; E66-R142 HydrophobicContact CG-CG 4.48Å; E66-R142 VanDerWaalsContact OE1-CB 3.29Å; E66-R142 WeakPolarHBondContact OE1-CB 3.36Å; E66-R142 WeakPolarHBondContact OE1-CD 3.37Å; E66-R142 WeakPolarHBondContact OE1-CG 3.49Å; E66-R142 IonicContact OE1-CZ 3.93Å; E66-R142 IonicContact OE1-NE 3.47Å; E66-R142 PolarHBondContact OE1-NE 2.7Å
67M95.2Very high92.8Very high0 Ų030.5 Ų30.50%016%0.159CC..EExtended strand (participates in β ladder)trans-100.6125.3172.9-177-1786200109.9L57 L60 T69 R142 S143 C145 C159 M161 L225L57-M67 HydrophobicContact CD1-CG 3.95Å; L57-M67 HydrophobicContact CD1-SD 4.06Å; L60-M67 HydrophobicContact CD1-CB 3.65Å; L60-M67 HydrophobicContact CD1-CG 4.22Å; M67-T69 HydrophobicContact CE-CG2 3.94Å; M67-T69 HydrophobicContact CG-CG2 4.07Å; M67-T69 HydrophobicContact SD-CG2 4.05Å; M67-R142 CarbonylContact O-C 3.59Å; M67-R142 WeakPolarHBondContact O-CA 2.9Å; M67-S143 WeakPolarHBondContact CE-OG 3.4Å; M67-S143 PolarHBondContact N-O 2.99Å; M67-S143 PolarHBondContact O-N 2.87Å; M67-S143 PolarHBondContact O-OG 3.43Å; M67-C145 HydrophobicContact CB-CB 4.46Å; M67-C159 HydrophobicContact CE-CB 3.83Å; M67-C159 HydrophobicContact SD-CB 3.52Å; M67-C159 VanDerWaalsContact SD-CB 3.52Å; M67-M161 HydrophobicContact CE-CE 3.99Å; M67-M161 HydrophobicContact CE-CG 3.74Å; M67-M161 HydrophobicContact CE-SD 3.91Å; M67-L225 HydrophobicContact SD-CD2 4.3Å
68T94.7Very high92.9Very high26 Ų2634.3 Ų34.316%0.1618%0.183CC..EExtended strand (participates in β ladder)trans-104.5123175.6-51.40000110.9I58 G59 I140 Y141 R142I58-T68 HydrophobicContact CB-CG2 4.03Å; I58-T68 WeakPolarHBondContact CB-O 3.3Å; I58-T68 HydrophobicContact CD1-CG2 3.81Å; I58-T68 HydrophobicContact CG1-CG2 4.43Å; I58-T68 HydrophobicContact CG2-CG2 4.28Å; I58-T68 PolarHBondContact N-O 3.31Å; G59-T68 PolarHBondContact N-O 2.63Å; G59-T68 PolarHBondContact O-N 3.46Å; T68-I140 HydrophobicContact CG2-CG2 3.96Å; T68-Y141 WeakPolarHBondContact CA-O 3.33Å; T68-R142 HydrophobicContact CG2-CG 4.13Å
69T94.6Very high93Very high0 Ų030.5 Ų30.50%016%0.163CC..EExtended strand (participates in β ladder)trans-127.5146.5179.358.40000111.4L54 L57 M67 I140 Y141 M161L54-T69 HydrophobicContact CD1-CG2 4.35Å; L57-T69 HydrophobicContact CD1-CG2 3.85Å; M67-T69 HydrophobicContact CE-CG2 3.94Å; M67-T69 HydrophobicContact CG-CG2 4.07Å; M67-T69 HydrophobicContact SD-CG2 4.05Å; T69-I140 CarbonylContact O-C 3.54Å; T69-I140 VanDerWaalsContact O-CA 3.28Å; T69-I140 WeakPolarHBondContact O-CA 3.19Å; T69-Y141 PolarHBondContact N-O 3.49Å; T69-Y141 PolarHBondContact O-N 3.12Å; T69-M161 HydrophobicContact CG2-SD 4.23Å
70N93.9Very high93.1Very high39 Ų3934.2 Ų34.221%0.20917%0.172CC..EExtended strand (participates in β ladder)trans-107.9114.2168.3-176.55.2000108.3S55 Q56 I58S55-N70 WeakPolarHBondContact CA-O 3.49Å; S55-N70 WeakPolarHBondContact CB-O 3.46Å; S55-N70 PolarHBondContact N-O 3.01Å; Q56-N70 HydrophobicContact CB-CB 4.3Å; Q56-N70 PolarHBondContact N-O 2.96Å; Q56-N70 VanDerWaalsContact N-O 3.13Å; Q56-N70 PolarHBondContact O-N 2.86Å; I58-N70 HydrophobicContact CD1-CB 4.32Å
71V94.6Very high93.1Very high0 Ų036.2 Ų36.20%018%0.179CC..EExtended strand (participates in β ladder)trans-133154.9-171.8-57.50000111M52 T53 L54 M73 P138 A139 Y141M52-V71 HydrophobicContact CG-CB 3.86Å; M52-V71 HydrophobicContact CG-CG1 4.08Å; M52-V71 HydrophobicContact CG-CG2 4.29Å; M52-V71 HydrophobicContact SD-CB 4.06Å; M52-V71 HydrophobicContact SD-CG1 3.8Å; M52-V71 HydrophobicContact SD-CG2 4.16Å; T53-V71 CarbonylContact O-C 3.59Å; T53-V71 WeakPolarHBondContact O-CA 3.43Å; L54-V71 HydrophobicContact CD1-CG1 3.71Å; V71-M73 HydrophobicContact CG2-SD 4.1Å; V71-P138 CarbonylContact O-C 3.46Å; V71-P138 WeakPolarHBondContact O-CA 3.45Å; V71-A139 HydrophobicContact CG2-CB 4.3Å; V71-A139 PolarHBondContact N-O 3.06Å; V71-A139 PolarHBondContact O-N 3.12Å; V71-Y141 HydrophobicContact CG2-CD2 3.5Å; V71-Y141 HydrophobicContact CG2-CE2 3.73Å
72F94.4Very high93.3Very high65 Ų6533.2 Ų33.229%0.28516%0.163SC..EExtended strand (participates in β ladder)trans-103.5124.4162.8-61.9-86.8000108.5M52 T53 L136 P138M52-F72 WeakPolarHBondContact CA-O 3.48Å; T53-F72 PolarHBondContact N-O 2.9Å; T53-F72 PolarHBondContact O-N 2.76Å; F72-L136 HydrophobicContact CB-CD1 3.86Å; F72-L136 HydrophobicContact CB-CG 4.13Å; F72-L136 HydrophobicContact CD1-CG 4.37Å; F72-P138 HydrophobicContact CD1-CB 3.77Å; F72-P138 HydrophobicContact CE1-CB 3.63Å; F72-P138 HydrophobicContact CE1-CG 4.31Å; F72-P138 HydrophobicContact CZ-CB 4.47Å
73M94.3Very high93.6Very high3 Ų334.8 Ų34.82%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-84.9118.3175.7-65.4-57.6-66.700109.1V50 M52 V71 L75 W135 L136 P137 Y141 F163V50-M73 HydrophobicContact CG1-CE 3.88Å; M52-M73 HydrophobicContact CB-SD 4.35Å; M52-M73 HydrophobicContact CG-SD 4.01Å; M52-M73 HydrophobicContact SD-SD 4.2Å; V71-M73 HydrophobicContact CG2-SD 4.1Å; M73-L75 HydrophobicContact CB-CG 4.42Å; M73-L75 PolarHBondContact O-N 3.01Å; M73-W135 VanDerWaalsContact O-O 3.08Å; M73-L136 WeakPolarHBondContact O-CA 3.36Å; M73-P137 HydrophobicContact CB-CG 4.22Å; M73-P137 PolarHBondContact N-O 2.64Å; M73-P137 WeakPolarHBondContact O-CD 3.28Å; M73-Y141 HydrophobicContact CG-CE2 3.92Å; M73-Y141 HydrophobicContact SD-CE2 3.87Å; M73-F163 HydrophobicContact CE-CD1 3.67Å; M73-F163 HydrophobicContact CE-CD2 4.13Å; M73-F163 HydrophobicContact CE-CE1 3.47Å; M73-F163 VanDerWaalsContact CE-CE1 3.47Å; M73-F163 HydrophobicContact CE-CE2 3.94Å; M73-F163 HydrophobicContact CE-CG 3.98Å; M73-F163 HydrophobicContact CE-CZ 3.6Å; M73-F163 HydrophobicContact SD-CE1 3.87Å; M73-F163 HydrophobicContact SD-CE2 4.24Å; M73-F163 HydrophobicContact SD-CZ 3.62Å
74N94.1Very high94.1Very high21 Ų2129.4 Ų29.411%0.11215%0.153CC..EExtended strand (participates in β ladder)trans-88.898.9175.1-60.7-66.9000108.8G51 T53 L136 Y178G51-N74 PolarHBondContact N-O 3.14Å; G51-N74 PolarHBondContact O-N 3.32Å; T53-N74 PolarHBondContact OG1-ND2 3.41Å; N74-L136 HydrophobicContact CB-CD1 4.4Å; N74-L136 WeakPolarHBondContact OD1-CD1 3.45Å; N74-Y178 HydrophobicContact CB-CD2 3.76Å; N74-Y178 HydrophobicContact CB-CE1 4.47Å; N74-Y178 HydrophobicContact CB-CE2 3.62Å; N74-Y178 HydrophobicContact CB-CG 4.26Å
75L95.3Very high94.5Very high6 Ų632 Ų323%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-109127.8178.8-62.6175.1000110.1R49 V50 M73 W77 I107 S134 W135R49-L75 WeakPolarHBondContact O-CA 3.42Å; V50-L75 HydrophobicContact CB-CD2 4.14Å; V50-L75 HydrophobicContact CG1-CD2 3.87Å; V50-L75 HydrophobicContact CG2-CD2 3.79Å; M73-L75 HydrophobicContact CB-CG 4.42Å; M73-L75 PolarHBondContact O-N 3.01Å; L75-W77 HydrophobicContact CB-CE3 4.4Å; L75-W77 HydrophobicContact CB-CZ3 4.05Å; L75-I107 HydrophobicContact CD2-CB 4.46Å; L75-I107 HydrophobicContact CD2-CG1 4.19Å; L75-S134 WeakPolarHBondContact O-CA 3.31Å; L75-W135 HydrophobicContact CB-CB 4.44Å; L75-W135 HydrophobicContact CD1-CE3 3.52Å; L75-W135 HydrophobicContact CD1-CZ3 3.68Å; L75-W135 PolarHBondContact N-O 2.96Å; L75-W135 PolarHBondContact O-N 2.8Å
76N95.5Very high94.7Very high24 Ų2433.2 Ų33.213%0.12817%0.166CC..EExtended strand (participates in β ladder)trans-133.7127.9177-174.68.1000110.9R49 M132 V133 Y178R49-N76 HydrophobicContact CB-CB 4.25Å; R49-N76 PolarHBondContact N-O 3.43Å; R49-N76 PolarHBondContact O-N 3.35Å; N76-M132 PolarHBondContact ND2-SD 3.41Å; N76-M132 VanDerWaalsContact ND2-SD 3.44Å; N76-M132 WeakPolarHBondContact OD1-CG 3.38Å; N76-V133 WeakPolarHBondContact CA-O 3.39Å; N76-V133 PolarHBondContact OD1-O 2.92Å; N76-V133 VanDerWaalsContact OD1-O 3.12Å; N76-Y178 HydrophobicContact CB-CE2 4.06Å
77W95.9Very high94.7Very high4 Ų440.4 Ų40.42%0.01520%0.2CC..EExtended strand (participates in β ladder)trans-145.4170175.768.696.4000110.3V46 V48 L75 W103 P105 V125 V133 W135V46-W77 HydrophobicContact CG1-CB 4.45Å; V48-W77 HydrophobicContact CG2-CB 4.15Å; L75-W77 HydrophobicContact CB-CE3 4.4Å; L75-W77 HydrophobicContact CB-CZ3 4.05Å; W77-W103 AromaticContact CD1-CE3 4Å; W77-W103 AromaticContact CD1-CZ3 3.71Å; W77-W103 HydrophobicContact CG-CZ3 4.19Å; W77-W103 WeakPolarHBondContact CZ2-O 3.21Å; W77-W103 AromaticContact NE1-CE3 3.76Å; W77-W103 AromaticContact NE1-CZ3 3.89Å; W77-P105 HydrophobicContact CD2-CG 4.37Å; W77-P105 HydrophobicContact CE3-CG 4.11Å; W77-P105 HydrophobicContact CZ3-CG 4.41Å; W77-V125 HydrophobicContact CH2-CG1 4.33Å; W77-V133 HydrophobicContact CD2-CB 4.03Å; W77-V133 HydrophobicContact CD2-CG1 4.34Å; W77-V133 HydrophobicContact CG-CB 4.45Å; W77-V133 HydrophobicContact CH2-CB 4.43Å; W77-V133 HydrophobicContact CH2-CG1 3.7Å; W77-V133 HydrophobicContact CZ2-CB 3.9Å; W77-V133 HydrophobicContact CZ2-CG1 3.36Å; W77-V133 HydrophobicContact CZ3-CG1 4.3Å; W77-V133 PolarHBondContact N-O 2.86Å; W77-V133 PolarHBondContact O-N 2.91Å; W77-W135 HydrophobicContact CH2-CB 3.82Å; W77-W135 HydrophobicContact CH2-CG 4.47Å; W77-W135 HydrophobicContact CZ3-CB 3.72Å
78T95.6Very high94.5Very high83 Ų8345 Ų4551%0.50922%0.221SC..EExtended strand (participates in β ladder)trans-114.8126.9178.753.80000110.9G131T78-G131 CarbonylContact C-O 3.57Å; T78-G131 WeakPolarHBondContact CA-O 3.47Å
79D96.3Very high94.3Very high0 Ų044.3 Ų44.30%022%0.216CC..  trans-114.5110170.6-168-24.8000110Y32 P38 R81 L82 G131 V133Y32-D79 WeakPolarHBondContact CE2-OD2 2.92Å; Y32-D79 PolarHBondContact OH-OD2 3.14Å; P38-D79 HydrophobicContact CB-CB 3.92Å; P38-D79 WeakPolarHBondContact CB-OD1 3.13Å; P38-D79 HydrophobicContact CG-CB 4.29Å; D79-R81 PolarHBondContact O-N 2.85Å; D79-R81 VanDerWaalsContact OD1-CB 3.26Å; D79-R81 WeakPolarHBondContact OD1-CB 3.44Å; D79-R81 WeakPolarHBondContact OD1-CG 3.21Å; D79-R81 IonicContact OD1-CZ 3.96Å; D79-R81 PolarHBondContact OD1-N 3.35Å; D79-R81 IonicContact OD1-NE 3.2Å; D79-R81 PolarHBondContact OD1-NE 3.39Å; D79-R81 IonicContact OD1-NH2 3.7Å; D79-R81 IonicContact OD2-CZ 3.46Å; D79-R81 IonicContact OD2-NE 3.68Å; D79-R81 PolarHBondContact OD2-NE 3.36Å; D79-R81 IonicContact OD2-NH2 3.65Å; D79-R81 PolarHBondContact OD2-NH2 2.92Å; D79-L82 HydrophobicContact CB-CB 4.37Å; D79-L82 HydrophobicContact CB-CD1 4.06Å; D79-L82 HydrophobicContact CB-CG 4.18Å; D79-L82 PolarHBondContact O-N 2.83Å; D79-L82 VanDerWaalsContact O-N 3.14Å; D79-G131 PolarHBondContact N-O 2.94Å; D79-G131 WeakPolarHBondContact O-CA 3.33Å; D79-V133 HydrophobicContact CB-CG2 4.34Å
80Y94.3Very high94Very high95 Ų9548.7 Ų48.737%0.37324%0.239SC..G310 helixtrans-62.6-25.8-178.474-90.3000113P38 R40 L82 S83P38-Y80 HydrophobicContact CB-CD1 4.49Å; R40-Y80 HydrophobicContact CG-CD1 4.03Å; R40-Y80 HydrophobicContact CG-CD2 4.4Å; R40-Y80 HydrophobicContact CG-CE1 4.11Å; R40-Y80 HydrophobicContact CG-CE2 4.46Å; R40-Y80 HydrophobicContact CG-CG 4.19Å; Y80-L82 VanDerWaalsContact C-N 3.26Å; Y80-L82 PolarHBondContact O-N 3.33Å; Y80-S83 PolarHBondContact O-OG 3.49Å
81R94.8Very high93.9Very high53 Ų5352.4 Ų52.420%0.226%0.259CS..G310 helixtrans-73.1-22.1-179.3-57.2171-68.5-176.1-0.6112.1Y32 N33 V36 D79 S83Y32-R81 HydrophobicContact CD2-CB 4.08Å; Y32-R81 HydrophobicContact CE2-CB 4.04Å; Y32-R81 PolarHBondContact OH-NH2 2.98Å; N33-R81 PolarHBondContact O-NH1 2.92Å; V36-R81 PolarHBondContact O-NH1 2.89Å; V36-R81 PolarHBondContact O-NH2 3.44Å; V36-R81 VanDerWaalsContact O-NH2 3.1Å; D79-R81 PolarHBondContact O-N 2.85Å; D79-R81 VanDerWaalsContact OD1-CB 3.26Å; D79-R81 WeakPolarHBondContact OD1-CB 3.44Å; D79-R81 WeakPolarHBondContact OD1-CG 3.21Å; D79-R81 IonicContact OD1-CZ 3.96Å; D79-R81 PolarHBondContact OD1-N 3.35Å; D79-R81 IonicContact OD1-NE 3.2Å; D79-R81 PolarHBondContact OD1-NE 3.39Å; D79-R81 IonicContact OD1-NH2 3.7Å; D79-R81 IonicContact OD2-CZ 3.46Å; D79-R81 IonicContact OD2-NE 3.68Å; D79-R81 PolarHBondContact OD2-NE 3.36Å; D79-R81 IonicContact OD2-NH2 3.65Å; D79-R81 PolarHBondContact OD2-NH2 2.92Å; R81-S83 VanDerWaalsContact C-N 3.32Å
82L94.8Very high93.8Very high0 Ų053.8 Ų53.80%027%0.266CS..G310 helixtrans-95.924.5-180-61.3178.8000112.6L28 F29 Y32 D79 Y80 W84 V102 V127 V133L28-L82 HydrophobicContact CB-CD2 4.46Å; F29-L82 HydrophobicContact CE1-CD2 4.42Å; F29-L82 HydrophobicContact CZ-CD2 4.31Å; Y32-L82 HydrophobicContact CD2-CD2 3.98Å; Y32-L82 HydrophobicContact CE2-CD1 4.32Å; Y32-L82 HydrophobicContact CE2-CD2 3.77Å; Y32-L82 HydrophobicContact CE2-CG 3.88Å; D79-L82 HydrophobicContact CB-CB 4.37Å; D79-L82 HydrophobicContact CB-CD1 4.06Å; D79-L82 HydrophobicContact CB-CG 4.18Å; D79-L82 PolarHBondContact O-N 2.83Å; D79-L82 VanDerWaalsContact O-N 3.14Å; Y80-L82 VanDerWaalsContact C-N 3.26Å; Y80-L82 PolarHBondContact O-N 3.33Å; L82-W84 WeakPolarHBondContact O-CZ3 3.34Å; L82-V102 HydrophobicContact CD1-CB 4.5Å; L82-V102 HydrophobicContact CD1-CG1 3.9Å; L82-V127 HydrophobicContact CB-CG1 3.82Å; L82-V127 HydrophobicContact CD1-CG1 4.25Å; L82-V127 HydrophobicContact CD1-CG2 4.26Å; L82-V133 HydrophobicContact CD1-CG2 4.1Å
83S94.5Very high93.7Very high63 Ų6353.1 Ų53.144%0.44127%0.273SS..  trans-94.9143.7177.661.90000111.8Y80 R81 S129Y80-S83 PolarHBondContact O-OG 3.49Å; R81-S83 VanDerWaalsContact C-N 3.32Å; S83-S129 WeakPolarHBondContact CA-O 3.26Å
84W94.5Very high93.7Very high24 Ų2455.7 Ų55.79%0.09129%0.288CS..  trans-149.1162.6174.568.194.6000111.2L24 L28 L82 P86 I92 V95 V127 S129L24-W84 HydrophobicContact CD1-CB 3.9Å; L24-W84 HydrophobicContact CD1-CD2 4.04Å; L24-W84 HydrophobicContact CD1-CG 3.74Å; L24-W84 HydrophobicContact CD2-CD2 3.97Å; L24-W84 HydrophobicContact CD2-CG 4.2Å; L24-W84 HydrophobicContact CD2-CZ2 4.14Å; L28-W84 HydrophobicContact CD1-CE3 4.04Å; L28-W84 HydrophobicContact CD1-CZ3 4.17Å; L28-W84 HydrophobicContact CD2-CE3 4.31Å; L82-W84 WeakPolarHBondContact O-CZ3 3.34Å; W84-P86 WeakPolarHBondContact O-CD 3.43Å; W84-I92 HydrophobicContact CZ2-CG2 4.42Å; W84-I92 PolarHBondContact NE1-O 2.77Å; W84-V95 HydrophobicContact CH2-CB 4.25Å; W84-V95 HydrophobicContact CH2-CG2 3.87Å; W84-V95 HydrophobicContact CZ2-CG2 3.83Å; W84-V127 HydrophobicContact CH2-CG1 4.18Å; W84-V127 WeakPolarHBondContact CH2-O 3.29Å; W84-V127 HydrophobicContact CZ3-CG1 3.81Å; W84-S129 PolarHBondContact N-O 2.84Å; W84-S129 VanDerWaalsContact N-O 3.07Å
85K95.1Very high93.7Very high135 Ų13554.8 Ų54.859%0.58728%0.284SS*.  trans-87.9119.5171.7-68.4-175.7-179.8179.30109.5E87 E88K85-E87 PolarHBondContact O-N 3.04Å; K85-E88 HydrophobicContact CB-CG 4.32Å; K85-E88 PolarHBondContact O-N 3Å
86P93.8Very high93.7Very high39 Ų3962.9 Ų62.925%0.25331%0.314SS..G310 helixtrans-57.7-34.4179.9-26.135.2000113W84 E88 Y89 N91W84-P86 WeakPolarHBondContact O-CD 3.43Å; P86-E88 PolarHBondContact O-N 3.09Å; P86-E88 VanDerWaalsContact O-N 3.14Å; P86-Y89 CarbonylContact O-C 3.55Å; P86-Y89 PolarHBondContact O-N 2.83Å; P86-N91 VanDerWaalsContact O-CA 3.23Å; P86-N91 WeakPolarHBondContact O-CA 3.33Å; P86-N91 PolarHBondContact O-N 3.25Å
87E92.5Very high93.7Very high169 Ų16961.7 Ų61.779%0.7931%0.308SS*.G310 helixtrans-57.8-27.8-179-61.8175.1-17600113.5K85K85-E87 PolarHBondContact O-N 3.04Å
88E90.8Very high93.6Very high95 Ų9564 Ų6444%0.44432%0.323SS..G310 helixtrans-83.2-13.2179.4-67177-164.300113.4R23 K27 K85 P86R23-E88 PolarHBondContact NH2-O 3.16Å; K27-E88 IonicContact NZ-OE2 3.2Å; K85-E88 HydrophobicContact CB-CG 4.32Å; K85-E88 PolarHBondContact O-N 3Å; P86-E88 PolarHBondContact O-N 3.09Å; P86-E88 VanDerWaalsContact O-N 3.14Å
89Y90.3Very high93.5Very high13 Ų1360.4 Ų60.45%0.05130%0.301CS..THydrogen-bonded Turntrans-13755.9-169.8-62.2-85000111.2R23 L24 K27 P86 N91 I92R23-Y89 HydrophobicContact CG-CE1 4.38Å; L24-Y89 HydrophobicContact CB-CD1 3.7Å; L24-Y89 HydrophobicContact CB-CE1 3.99Å; L24-Y89 HydrophobicContact CB-CG 4.26Å; L24-Y89 HydrophobicContact CD1-CD1 4.14Å; L24-Y89 HydrophobicContact CD1-CD2 4.02Å; L24-Y89 HydrophobicContact CD1-CE1 4.13Å; L24-Y89 HydrophobicContact CD1-CE2 4.03Å; L24-Y89 HydrophobicContact CD1-CG 4.1Å; L24-Y89 HydrophobicContact CD2-CG 4.48Å; L24-Y89 HydrophobicContact CG-CD1 4.39Å; K27-Y89 WeakPolarHBondContact CD-OH 3.09Å; K27-Y89 PolarHBondContact NZ-OH 2.82Å; P86-Y89 CarbonylContact O-C 3.55Å; P86-Y89 PolarHBondContact O-N 2.83Å; Y89-N91 PolarHBondContact O-N 2.92Å; Y89-I92 WeakPolarHBondContact O-CB 3.48Å; Y89-I92 WeakPolarHBondContact O-CD1 3.27Å; Y89-I92 WeakPolarHBondContact O-CG1 3.45Å; Y89-I92 PolarHBondContact O-N 2.84Å
90D89.8Confident93.3Very high91 Ų9166 Ų6649%0.48733%0.331SS..THydrogen-bonded Turntrans5232.5175.4-60.4-21.5000114.7T20 I92T20-D90 VanDerWaalsContact CB-OD2 3.3Å; T20-D90 WeakPolarHBondContact CB-OD2 3.45Å; T20-D90 WeakPolarHBondContact CG2-OD2 3.35Å; T20-D90 PolarHBondContact OG1-OD2 3Å; D90-I92 PolarHBondContact O-N 3.4Å
91N92Very high93.3Very high117 Ų11767.3 Ų67.363%0.62634%0.338SS*.THydrogen-bonded Turntrans57.231.3-176.3-61.5-47000114.3P86 Y89 A93P86-N91 VanDerWaalsContact O-CA 3.23Å; P86-N91 WeakPolarHBondContact O-CA 3.33Å; P86-N91 PolarHBondContact O-N 3.25Å; Y89-N91 PolarHBondContact O-N 2.92Å; N91-A93 PolarHBondContact O-N 3.35Å
92I91.7Very high93.3Very high29 Ų2965 Ų6515%0.14933%0.33CS..  trans-64.1110.7171.9-65.9164.9000108.9E21 L24 W84 Y89 D90 V95E21-I92 HydrophobicContact CB-CD1 4.04Å; L24-I92 HydrophobicContact CD2-CG2 4.29Å; W84-I92 HydrophobicContact CZ2-CG2 4.42Å; W84-I92 PolarHBondContact NE1-O 2.77Å; Y89-I92 WeakPolarHBondContact O-CB 3.48Å; Y89-I92 WeakPolarHBondContact O-CD1 3.27Å; Y89-I92 WeakPolarHBondContact O-CG1 3.45Å; Y89-I92 PolarHBondContact O-N 2.84Å; D90-I92 PolarHBondContact O-N 3.4Å; I92-V95 HydrophobicContact CG2-CG2 3.63Å
93A92.1Very high93.3Very high52 Ų5265.2 Ų65.243%0.4333%0.331SS..  trans-89.5-28.6179.100000113.3N91 Y128 S129N91-A93 PolarHBondContact O-N 3.35Å; A93-Y128 CarbonylContact O-C 3.57Å; A93-Y128 WeakPolarHBondContact O-CA 3.45Å; A93-S129 PolarHBondContact O-N 3.42Å
94V94.6Very high93.3Very high56 Ų5665.1 Ų65.134%0.33932%0.321SS..EExtended strand (participates in β ladder)trans-138.9137.9-174.1-179.20000110.5L126 V127 Y128V94-L126 HydrophobicContact CG1-CB 4.35Å; V94-L126 HydrophobicContact CG1-CD2 3.97Å; V94-V127 CarbonylContact C-O 3.59Å; V94-V127 VanDerWaalsContact CA-O 3.3Å; V94-V127 WeakPolarHBondContact CA-O 3.43Å; V94-Y128 HydrophobicContact CG2-CD1 3.43Å; V94-Y128 VanDerWaalsContact CG2-CD1 3.43Å; V94-Y128 HydrophobicContact CG2-CE1 3.45Å; V94-Y128 VanDerWaalsContact CG2-CE1 3.45Å; V94-Y128 HydrophobicContact CG2-CG 4.22Å
95V94.2Very high93.2Very high2 Ų264.1 Ų64.11%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-127.3143.8175.4179.50000109.8L24 H25 W84 I92 I97 V127L24-V95 HydrophobicContact CD2-CG2 3.74Å; H25-V95 WeakPolarHBondContact NE2-CG1 3.26Å; W84-V95 HydrophobicContact CH2-CB 4.25Å; W84-V95 HydrophobicContact CH2-CG2 3.87Å; W84-V95 HydrophobicContact CZ2-CG2 3.83Å; I92-V95 HydrophobicContact CG2-CG2 3.63Å; V95-I97 HydrophobicContact CG1-CD1 4.4Å; V95-I97 HydrophobicContact CG1-CG1 4.02Å; V95-V127 PolarHBondContact N-O 3.35Å; V95-V127 PolarHBondContact O-N 3.02Å
96R94.8Very high93Very high176 Ų17658.6 Ų58.666%0.66430%0.295SS*.EExtended strand (participates in β ladder)trans-99123.2176.4-74.7169-179.2119.3-1.5110.2N124 V125 L126R96-N124 HydrophobicContact CB-CB 4.38Å; R96-V125 WeakPolarHBondContact CA-O 3.29Å; R96-L126 HydrophobicContact CG-CD2 3.56Å
97I94.8Very high93Very high0 Ų057.4 Ų57.40%029%0.286CS..EExtended strand (participates in β ladder)trans-125.8136.9-175.8-44.3-170.9000109.5F29 V95 K101 V102 N124 V125 V127F29-I97 HydrophobicContact CE1-CG2 4.48Å; F29-I97 HydrophobicContact CE2-CD1 3.83Å; F29-I97 HydrophobicContact CE2-CG2 3.97Å; F29-I97 HydrophobicContact CZ-CD1 3.61Å; F29-I97 HydrophobicContact CZ-CG2 3.55Å; V95-I97 HydrophobicContact CG1-CD1 4.4Å; V95-I97 HydrophobicContact CG1-CG1 4.02Å; I97-K101 HydrophobicContact CG2-CB 4.22Å; I97-V102 HydrophobicContact CB-CG1 4.37Å; I97-V102 HydrophobicContact CD1-CG1 4.47Å; I97-V102 HydrophobicContact CG2-CG1 3.91Å; I97-N124 CarbonylContact O-C 3.3Å; I97-N124 WeakPolarHBondContact O-CA 3.44Å; I97-V125 HydrophobicContact CB-CG2 3.85Å; I97-V125 PolarHBondContact N-O 3.23Å; I97-V125 VanDerWaalsContact O-CG2 3.27Å; I97-V125 WeakPolarHBondContact O-CG2 3.39Å; I97-V125 PolarHBondContact O-N 2.9Å; I97-V127 HydrophobicContact CD1-CB 4.21Å; I97-V127 HydrophobicContact CD1-CG2 3.62Å; I97-V127 HydrophobicContact CG1-CG2 3.95Å
98P94.9Very high93.1Very high53 Ų5352.4 Ų52.434%0.34426%0.26SS..  trans-58.3137.8170.6-24.334.2000111.3N100 K101 N124P98-N100 PolarHBondContact O-N 2.78Å; P98-N100 VanDerWaalsContact O-N 3.15Å; P98-K101 PolarHBondContact O-N 2.89Å; P98-K101 VanDerWaalsContact O-N 3.13Å; P98-N124 WeakPolarHBondContact CA-OD1 3.08Å
99P93.3Very high93.2Very high6 Ų647.9 Ų47.94%0.03924%0.239CC..G310 helixtrans-65.1-24-173.625.9-34.4000113K101 V102 Y122 V123 V125P99-K101 PolarHBondContact O-N 2.96Å; P99-V102 WeakPolarHBondContact O-CG2 3.26Å; P99-V102 PolarHBondContact O-N 3.43Å; P99-V102 VanDerWaalsContact O-O 3.12Å; P99-Y122 HydrophobicContact CG-CD1 4.32Å; P99-V123 WeakPolarHBondContact CD-O 3.41Å; P99-V123 WeakPolarHBondContact CG-O 3.32Å; P99-V125 HydrophobicContact CB-CG1 4.16Å
100N92.1Very high93.3Very high117 Ų11750.5 Ų50.563%0.62625%0.253SS*.G310 helixtrans-73.5-8.7-180-59.5-10.5000113.6P98P98-N100 PolarHBondContact O-N 2.78Å; P98-N100 VanDerWaalsContact O-N 3.15Å
101K93.4Very high93.5Very high123 Ų12347.7 Ų47.754%0.53524%0.238SC..G310 helixtrans-101.1-7.6178.8-68.3-169.5176.4-176.10113.6F29 Y32 V34 I97 P98 P99F29-K101 HydrophobicContact CE1-CB 4.22Å; F29-K101 VanDerWaalsContact CE1-O 3.31Å; F29-K101 WeakPolarHBondContact CE1-O 2.79Å; Y32-K101 WeakPolarHBondContact CE1-O 3.35Å; V34-K101 VanDerWaalsContact CG2-O 3.29Å; V34-K101 WeakPolarHBondContact CG2-O 3.48Å; I97-K101 HydrophobicContact CG2-CB 4.22Å; P98-K101 PolarHBondContact O-N 2.89Å; P98-K101 VanDerWaalsContact O-N 3.13Å; P99-K101 PolarHBondContact O-N 2.96Å
102V95.3Very high93.5Very high4 Ų443.3 Ų43.32%0.02422%0.215CC..SBendtrans-119.1149.8-179.3-65.10000109.6F29 V34 L82 I97 P99 R104 V125F29-V102 HydrophobicContact CE1-CG1 4.17Å; F29-V102 HydrophobicContact CZ-CG1 4.12Å; V34-V102 WeakPolarHBondContact CG1-O 3.4Å; L82-V102 HydrophobicContact CD1-CB 4.5Å; L82-V102 HydrophobicContact CD1-CG1 3.9Å; I97-V102 HydrophobicContact CB-CG1 4.37Å; I97-V102 HydrophobicContact CD1-CG1 4.47Å; I97-V102 HydrophobicContact CG2-CG1 3.91Å; P99-V102 WeakPolarHBondContact O-CG2 3.26Å; P99-V102 PolarHBondContact O-N 3.43Å; P99-V102 VanDerWaalsContact O-O 3.12Å; V102-R104 PolarHBondContact O-N 2.97Å; V102-V125 HydrophobicContact CG1-CG2 4.4Å; V102-V125 HydrophobicContact CG2-CG1 4.14Å; V102-V125 HydrophobicContact CG2-CG2 3.79Å
103W95.6Very high93.3Very high5 Ų546.3 Ų46.32%0.01923%0.228CC..  trans-62.2137167.5176.589.9000108.8Y32 V34 R37 P38 V46 W77 P105 Y168Y32-W103 PolarHBondContact OH-N 3.07Å; V34-W103 WeakPolarHBondContact O-CB 3.41Å; V34-W103 VanDerWaalsContact O-CD1 3.28Å; R37-W103 HydrophobicContact CB-CZ2 3.91Å; P38-W103 HydrophobicContact CG-CD2 4.19Å; P38-W103 HydrophobicContact CG-CE3 3.63Å; P38-W103 HydrophobicContact CG-CH2 4.47Å; P38-W103 HydrophobicContact CG-CZ3 3.79Å; V46-W103 HydrophobicContact CB-CH2 4.4Å; V46-W103 HydrophobicContact CG1-CH2 3.98Å; V46-W103 HydrophobicContact CG1-CZ3 4.04Å; W77-W103 AromaticContact CD1-CE3 4Å; W77-W103 AromaticContact CD1-CZ3 3.71Å; W77-W103 HydrophobicContact CG-CZ3 4.19Å; W77-W103 WeakPolarHBondContact CZ2-O 3.21Å; W77-W103 AromaticContact NE1-CE3 3.76Å; W77-W103 AromaticContact NE1-CZ3 3.89Å; W103-P105 HydrophobicContact CH2-CB 3.96Å; W103-P105 HydrophobicContact CZ3-CB 4.39Å; W103-Y168 HydrophobicContact CZ2-CD2 4.43Å; W103-Y168 AromaticContact CZ2-CE2 3.74Å; W103-Y168 HydrophobicContact CZ2-CE2 3.74Å; W103-Y168 AromaticContact NE1-CZ 3.84Å; W103-Y168 PolarHBondContact NE1-OH 3.03Å
104R93.6Very high92.8Very high62 Ų6246.8 Ų46.823%0.23422%0.223CC..  trans-130.1139.4179.5145.8172.161.2-150.2-0.4108.2V102 Y122 W135V102-R104 PolarHBondContact O-N 2.97Å; R104-Y122 VanDerWaalsContact NH1-CE1 3.26Å; R104-W135 VanDerWaalsContact CD-CH2 3.45Å; R104-W135 HydrophobicContact CG-CE3 4.46Å; R104-W135 HydrophobicContact CG-CZ3 4.09Å
105P93.5Very high92Very high2 Ų246.4 Ų46.41%0.01323%0.231CC..  trans-67.7136167.530.9-34.5000110V48 W77 W103 I107V48-P105 HydrophobicContact CG1-CB 4.14Å; V48-P105 HydrophobicContact CG1-CG 3.79Å; V48-P105 HydrophobicContact CG2-CB 3.85Å; V48-P105 HydrophobicContact CG2-CG 4.02Å; W77-P105 HydrophobicContact CD2-CG 4.37Å; W77-P105 HydrophobicContact CE3-CG 4.11Å; W77-P105 HydrophobicContact CZ3-CG 4.41Å; W103-P105 HydrophobicContact CH2-CB 3.96Å; W103-P105 HydrophobicContact CZ3-CB 4.39Å; P105-I107 HydrophobicContact CB-CD1 4.21Å; P105-I107 HydrophobicContact CB-CG1 4.05Å; P105-I107 HydrophobicContact CG-CG1 4.28Å; P105-I107 PolarHBondContact O-N 3.26Å
106D90.9Very high91.4Very high20 Ų2051.5 Ų51.511%0.10726%0.255CS..  trans-84.560.5-178.763.9-32.1000111.4Y108 S165 Y166 T167 Y168D106-Y108 HydrophobicContact CB-CD2 4.18Å; D106-Y108 HydrophobicContact CB-CE2 3.78Å; D106-Y108 VanDerWaalsContact O-CD2 3.28Å; D106-Y108 WeakPolarHBondContact O-CD2 3.39Å; D106-Y108 PolarHBondContact O-N 2.85Å; D106-S165 WeakPolarHBondContact O-CA 3.48Å; D106-S165 PolarHBondContact OD1-OG 3.43Å; D106-Y166 PolarHBondContact O-N 3.13Å; D106-Y166 PolarHBondContact OD2-N 2.98Å; D106-T167 WeakPolarHBondContact OD2-CA 3.41Å; D106-T167 WeakPolarHBondContact OD2-CB 3.42Å; D106-T167 PolarHBondContact OD2-N 2.88Å; D106-T167 PolarHBondContact OD2-OG1 2.92Å; D106-Y168 VanDerWaalsContact OD1-CD2 3.26Å; D106-Y168 WeakPolarHBondContact OD1-CD2 3.49Å
107I93.5Very high90.6Very high14 Ų1446.9 Ų46.97%0.07224%0.239CC..EExtended strand (participates in β ladder)trans-78.2114178.4-53-54.9000109.3V48 L75 P105 F163 L175V48-I107 HydrophobicContact CG1-CD1 4.47Å; V48-I107 HydrophobicContact CG1-CG1 4.4Å; L75-I107 HydrophobicContact CD2-CB 4.46Å; L75-I107 HydrophobicContact CD2-CG1 4.19Å; P105-I107 HydrophobicContact CB-CD1 4.21Å; P105-I107 HydrophobicContact CB-CG1 4.05Å; P105-I107 HydrophobicContact CG-CG1 4.28Å; P105-I107 PolarHBondContact O-N 3.26Å; I107-F163 HydrophobicContact CG2-CB 3.93Å; I107-F163 HydrophobicContact CG2-CD1 4.1Å; I107-F163 HydrophobicContact CG2-CG 4.42Å; I107-L175 HydrophobicContact CD1-CD2 3.59Å
108Y93.1Very high89.8Confident63 Ų6349.8 Ų49.825%0.24726%0.255CS..EExtended strand (participates in β ladder)trans-125.1153.7-176.2-70.6-58.7000111.7D106 I110 F117 D118 F163 R164 Y166D106-Y108 HydrophobicContact CB-CD2 4.18Å; D106-Y108 HydrophobicContact CB-CE2 3.78Å; D106-Y108 VanDerWaalsContact O-CD2 3.28Å; D106-Y108 WeakPolarHBondContact O-CD2 3.39Å; D106-Y108 PolarHBondContact O-N 2.85Å; Y108-I110 PolarHBondContact O-N 3.39Å; Y108-F117 HydrophobicContact CD1-CB 3.59Å; Y108-F117 WeakPolarHBondContact CD1-O 3.08Å; Y108-F117 HydrophobicContact CE1-CB 3.97Å; Y108-F117 HydrophobicContact CG-CB 4.06Å; Y108-D118 WeakPolarHBondContact CE1-OD1 3.3Å; Y108-D118 PolarHBondContact OH-OD1 2.91Å; Y108-F163 WeakPolarHBondContact O-CA 3.27Å; Y108-R164 PolarHBondContact N-O 3.42Å; Y108-R164 PolarHBondContact O-N 3.05Å; Y108-R164 VanDerWaalsContact O-N 3.14Å; Y108-Y166 HydrophobicContact CD2-CG 4.47Å
109L94.3Very high89.2Confident0 Ų048.1 Ų48.10%024%0.244CC..EExtended strand (participates in β ladder)trans-77.7113.2171.5-179.273.7000109.1N111 N112 F117 Y141 M161 V162 F163L109-N111 VanDerWaalsContact CD1-OD1 3.25Å; L109-N111 WeakPolarHBondContact CD1-OD1 3.31Å; L109-N112 HydrophobicContact CD2-CB 4.07Å; L109-N112 HydrophobicContact CG-CB 4.31Å; L109-F117 WeakPolarHBondContact O-CD1 3.28Å; L109-Y141 HydrophobicContact CB-CD1 4.01Å; L109-Y141 HydrophobicContact CB-CE1 4.08Å; L109-Y141 HydrophobicContact CD2-CD1 3.85Å; L109-Y141 HydrophobicContact CD2-CG 4.06Å; L109-M161 HydrophobicContact CD1-CB 3.87Å; L109-M161 HydrophobicContact CD1-CG 4.36Å; L109-V162 WeakPolarHBondContact CA-O 3.35Å; L109-F163 HydrophobicContact CB-CE1 4.19Å; L109-F163 HydrophobicContact CD1-CE1 4.38Å; L109-F163 HydrophobicContact CD1-CE2 4.39Å; L109-F163 HydrophobicContact CD1-CZ 4.19Å
110I92.4Very high88.6Confident68 Ų6851 Ų5135%0.34927%0.269SS..SBendtrans-78.6-42.8-175.6-58.3-57.8000111.6Y108 N112 V162 R164 Y166Y108-I110 PolarHBondContact O-N 3.39Å; I110-N112 PolarHBondContact O-N 3.41Å; I110-V162 HydrophobicContact CB-CG1 4.49Å; I110-V162 PolarHBondContact N-O 2.56Å; I110-R164 HydrophobicContact CD1-CB 4.23Å; I110-R164 HydrophobicContact CG1-CB 3.83Å; I110-Y166 HydrophobicContact CD1-CD2 4.28Å
111N93.9Very high88.4Confident33 Ų3350.3 Ų50.318%0.17626%0.264CS..SBendtrans-82.847.3178.769.9-47.8000111.9L109 S143 S144 S160 V162L109-N111 VanDerWaalsContact CD1-OD1 3.25Å; L109-N111 WeakPolarHBondContact CD1-OD1 3.31Å; N111-S143 CarbonylContact O-C 3.51Å; N111-S143 WeakPolarHBondContact O-CA 3.33Å; N111-S144 PolarHBondContact ND2-O 2.98Å; N111-S144 VanDerWaalsContact ND2-O 3.11Å; N111-S144 PolarHBondContact O-N 3.35Å; N111-S160 PolarHBondContact ND2-O 2.93Å; N111-V162 HydrophobicContact CB-CG2 4.43Å; N111-V162 PolarHBondContact OD1-N 2.88Å
112N91.8Very high88.1Confident25 Ų2548.5 Ų48.513%0.13426%0.255CS..BIsolated β-bridgetrans-83.3143.2179-172.920.2000111.9L109 I110 D114 G115 Q116 F117 R142L109-N112 HydrophobicContact CD2-CB 4.07Å; L109-N112 HydrophobicContact CG-CB 4.31Å; I110-N112 PolarHBondContact O-N 3.41Å; N112-D114 PolarHBondContact ND2-OD1 3.09Å; N112-D114 PolarHBondContact OD1-N 2.9Å; N112-D114 PolarHBondContact OD1-OD1 2.94Å; N112-G115 PolarHBondContact ND2-N 2.89Å; N112-Q116 VanDerWaalsContact ND2-C 3.27Å; N112-Q116 PolarHBondContact ND2-N 2.88Å; N112-Q116 VanDerWaalsContact ND2-N 3.11Å; N112-Q116 PolarHBondContact ND2-O 3.29Å; N112-F117 HydrophobicContact CB-CD1 4.34Å; N112-F117 HydrophobicContact CB-CE1 3.98Å; N112-R142 PolarHBondContact OD1-O 3.38Å
113H86.9Confident88Confident92 Ų9250.4 Ų50.443%0.42627%0.266SS..SBendtrans-93.9-30.2177.4-175.8-102.3000113.4E66 R142E66-H113 HydrophobicContact CG-CB 4.22Å; E66-H113 IonicContact OE2-CE1 2.84Å; E66-H113 IonicContact OE2-ND1 2.78Å; E66-H113 PolarHBondContact OE2-ND1 3.33Å; H113-R142 PolarHBondContact N-O 3.31Å
114D82.4Confident88Confident61 Ų6154.2 Ų54.233%0.32629%0.287SS..SBendtrans-99.9-3.8-168.371.4-1.3000115.4N112 Q116 R142N112-D114 PolarHBondContact ND2-OD1 3.09Å; N112-D114 PolarHBondContact OD1-N 2.9Å; N112-D114 PolarHBondContact OD1-OD1 2.94Å; D114-Q116 PolarHBondContact O-N 3.1Å; D114-Q116 WeakPolarHBondContact OD1-CA 3.23Å; D114-Q116 VanDerWaalsContact OD1-CB 3.31Å; D114-Q116 WeakPolarHBondContact OD1-CB 3.41Å; D114-Q116 PolarHBondContact OD1-N 2.89Å; D114-R142 HydrophobicContact CB-CB 4.45Å; D114-R142 WeakPolarHBondContact OD2-CD 3.27Å; D114-R142 IonicContact OD2-NH1 3.34Å
115G78.2Confident88.2Confident49 Ų4951.3 Ų51.351%0.50528%0.276SS..SBendtrans72.24.7-17700000114.8N112 F117N112-G115 PolarHBondContact ND2-N 2.89Å; G115-F117 VanDerWaalsContact O-CD2 3.27Å; G115-F117 WeakPolarHBondContact O-CD2 3.12Å; G115-F117 WeakPolarHBondContact O-CE2 3.43Å
116Q80.5Confident88.3Confident109 Ų10953.9 Ų53.951%0.50929%0.289SS..  trans-91.398.7173-174.763.429.900110.5N112 D114N112-Q116 VanDerWaalsContact ND2-C 3.27Å; N112-Q116 PolarHBondContact ND2-N 2.88Å; N112-Q116 VanDerWaalsContact ND2-N 3.11Å; N112-Q116 PolarHBondContact ND2-O 3.29Å; D114-Q116 PolarHBondContact O-N 3.1Å; D114-Q116 WeakPolarHBondContact OD1-CA 3.23Å; D114-Q116 VanDerWaalsContact OD1-CB 3.31Å; D114-Q116 WeakPolarHBondContact OD1-CB 3.41Å; D114-Q116 PolarHBondContact OD1-N 2.89Å
117F77.4Confident88.6Confident78 Ų7853 Ų5334%0.34228%0.284SS..  trans-86.6-27.9-177.7-59.9-80.2000113.1Y108 L109 N112 G115Y108-F117 HydrophobicContact CD1-CB 3.59Å; Y108-F117 WeakPolarHBondContact CD1-O 3.08Å; Y108-F117 HydrophobicContact CE1-CB 3.97Å; Y108-F117 HydrophobicContact CG-CB 4.06Å; L109-F117 WeakPolarHBondContact O-CD1 3.28Å; N112-F117 HydrophobicContact CB-CD1 4.34Å; N112-F117 HydrophobicContact CB-CE1 3.98Å; G115-F117 VanDerWaalsContact O-CD2 3.27Å; G115-F117 WeakPolarHBondContact O-CD2 3.12Å; G115-F117 WeakPolarHBondContact O-CE2 3.43Å
118D78.1Confident88.7Confident62 Ų6256.2 Ų56.233%0.33230%0.296SS..SBendtrans-73.3154.7-175.3-78.6-19.9000114Y108 Y122Y108-D118 WeakPolarHBondContact CE1-OD1 3.3Å; Y108-D118 PolarHBondContact OH-OD1 2.91Å; D118-Y122 WeakPolarHBondContact CB-OH 3.36Å; D118-Y122 PolarHBondContact OD1-OH 3.31Å; D118-Y122 PolarHBondContact OD2-OH 2.84Å
119V82.6Confident88.8Confident17 Ų1754.7 Ų54.710%0.10330%0.295CS..  trans-66.5154.6173.7-61.40000112.2Y122 W135 P137 A139V119-Y122 HydrophobicContact CG2-CD1 3.69Å; V119-Y122 HydrophobicContact CG2-CE1 3.46Å; V119-Y122 VanDerWaalsContact CG2-CE1 3.46Å; V119-Y122 HydrophobicContact CG2-CE2 4.48Å; V119-Y122 HydrophobicContact CG2-CG 4.32Å; V119-W135 HydrophobicContact CG1-CH2 4.27Å; V119-W135 HydrophobicContact CG2-CH2 3.98Å; V119-W135 HydrophobicContact CG2-CZ2 4.03Å; V119-P137 HydrophobicContact CB-CB 4.03Å; V119-P137 HydrophobicContact CB-CG 4.47Å; V119-P137 HydrophobicContact CG1-CB 4.03Å; V119-P137 HydrophobicContact CG1-CG 3.91Å; V119-P137 HydrophobicContact CG2-CB 3.94Å; V119-A139 HydrophobicContact CB-CB 4.23Å; V119-A139 HydrophobicContact CG1-CB 4.16Å
120A81.4Confident88.8Confident68 Ų6860 Ų6056%0.56232%0.323SS*.SBendtrans-72.4-35.4-176.200000113P138A120-P138 PolarHBondContact N-O 3.15Å
121L87.4Confident88.9Confident102 Ų10256.8 Ų56.853%0.53431%0.307SS..  trans-137.7125.5177.5-175.166.9000112.2V123 P138L121-V123 HydrophobicContact CD2-CG1 3.89Å; L121-V123 HydrophobicContact CG-CG1 4.08Å; L121-V123 PolarHBondContact O-N 2.81Å; L121-V123 VanDerWaalsContact O-N 3.11Å; L121-P138 HydrophobicContact CB-CG 3.74Å; L121-P138 HydrophobicContact CD2-CG 4.26Å; L121-P138 PolarHBondContact N-O 3.38Å
122Y88Confident89Confident85 Ų8557.6 Ų57.633%0.33331%0.31SS..  trans-82.284.4173.3-69.9-68.7000111.5P99 R104 D118 V119 W135P99-Y122 HydrophobicContact CG-CD1 4.32Å; R104-Y122 VanDerWaalsContact NH1-CE1 3.26Å; D118-Y122 WeakPolarHBondContact CB-OH 3.36Å; D118-Y122 PolarHBondContact OD1-OH 3.31Å; D118-Y122 PolarHBondContact OD2-OH 2.84Å; V119-Y122 HydrophobicContact CG2-CD1 3.69Å; V119-Y122 HydrophobicContact CG2-CE1 3.46Å; V119-Y122 VanDerWaalsContact CG2-CE1 3.46Å; V119-Y122 HydrophobicContact CG2-CE2 4.48Å; V119-Y122 HydrophobicContact CG2-CG 4.32Å; Y122-W135 HydrophobicContact CD1-CH2 4.36Å; Y122-W135 AromaticContact CD1-CZ2 3.86Å; Y122-W135 HydrophobicContact CD1-CZ2 3.86Å; Y122-W135 HydrophobicContact CE1-CH2 4.3Å; Y122-W135 HydrophobicContact CE1-CZ2 4.27Å
123V93.3Very high89.2Confident44 Ų4456.4 Ų56.427%0.26730%0.304SS..PPolyproline II helixtrans-73.6156.9171.7-57.10000111.6P99 L121 W135 L136P99-V123 WeakPolarHBondContact CD-O 3.41Å; P99-V123 WeakPolarHBondContact CG-O 3.32Å; L121-V123 HydrophobicContact CD2-CG1 3.89Å; L121-V123 HydrophobicContact CG-CG1 4.08Å; L121-V123 PolarHBondContact O-N 2.81Å; L121-V123 VanDerWaalsContact O-N 3.11Å; V123-W135 PolarHBondContact O-NE1 3.13Å; V123-L136 WeakPolarHBondContact CG2-O 3.29Å
124N95.8Very high89.6Confident85 Ų8553.1 Ų53.146%0.45529%0.291SS..PPolyproline II helixtrans-61.4141.2174.7-67.8-18.7000111R96 I97 P98R96-N124 HydrophobicContact CB-CB 4.38Å; I97-N124 CarbonylContact O-C 3.3Å; I97-N124 WeakPolarHBondContact O-CA 3.44Å; P98-N124 WeakPolarHBondContact CA-OD1 3.08Å
125V96.2Very high90.3Very high1 Ų150.6 Ų50.61%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-77.2147.5170.5-58.30000110.1W77 R96 I97 P99 V102 V127 V133 W135W77-V125 HydrophobicContact CH2-CG1 4.33Å; R96-V125 WeakPolarHBondContact CA-O 3.29Å; I97-V125 HydrophobicContact CB-CG2 3.85Å; I97-V125 PolarHBondContact N-O 3.23Å; I97-V125 VanDerWaalsContact O-CG2 3.27Å; I97-V125 WeakPolarHBondContact O-CG2 3.39Å; I97-V125 PolarHBondContact O-N 2.9Å; P99-V125 HydrophobicContact CB-CG1 4.16Å; V102-V125 HydrophobicContact CG1-CG2 4.4Å; V102-V125 HydrophobicContact CG2-CG1 4.14Å; V102-V125 HydrophobicContact CG2-CG2 3.79Å; V125-V127 HydrophobicContact CG2-CG2 3.93Å; V125-V133 HydrophobicContact CB-CG1 3.9Å; V125-V133 HydrophobicContact CG1-CG1 4.36Å; V125-V133 HydrophobicContact CG2-CG1 4.15Å; V125-W135 HydrophobicContact CG1-CB 3.92Å; V125-W135 HydrophobicContact CG1-CD2 4.47Å; V125-W135 HydrophobicContact CG1-CG 3.71Å
126L96.3Very high91Very high56 Ų5651.9 Ų51.929%0.29327%0.272SS..EExtended strand (participates in β ladder)trans-98.3117.2170.4-66.2170.1000108.3V94 R96 V133 S134V94-L126 HydrophobicContact CG1-CB 4.35Å; V94-L126 HydrophobicContact CG1-CD2 3.97Å; R96-L126 HydrophobicContact CG-CD2 3.56Å; L126-V133 CarbonylContact O-C 3.46Å; L126-V133 WeakPolarHBondContact O-CA 3.49Å; L126-S134 PolarHBondContact N-O 3.07Å; L126-S134 PolarHBondContact O-N 2.81Å
127V96.8Very high91.7Very high0 Ų046.7 Ų46.70%025%0.248CC..EExtended strand (participates in β ladder)trans-107.1125.5177.1-175.90000108.2L82 W84 V94 V95 I97 V125 V133L82-V127 HydrophobicContact CB-CG1 3.82Å; L82-V127 HydrophobicContact CD1-CG1 4.25Å; L82-V127 HydrophobicContact CD1-CG2 4.26Å; W84-V127 HydrophobicContact CH2-CG1 4.18Å; W84-V127 WeakPolarHBondContact CH2-O 3.29Å; W84-V127 HydrophobicContact CZ3-CG1 3.81Å; V94-V127 CarbonylContact C-O 3.59Å; V94-V127 VanDerWaalsContact CA-O 3.3Å; V94-V127 WeakPolarHBondContact CA-O 3.43Å; V95-V127 PolarHBondContact N-O 3.35Å; V95-V127 PolarHBondContact O-N 3.02Å; I97-V127 HydrophobicContact CD1-CB 4.21Å; I97-V127 HydrophobicContact CD1-CG2 3.62Å; I97-V127 HydrophobicContact CG1-CG2 3.95Å; V125-V127 HydrophobicContact CG2-CG2 3.93Å; V127-V133 HydrophobicContact CG1-CG2 4.34Å; V127-V133 HydrophobicContact CG2-CG1 4.22Å; V127-V133 HydrophobicContact CG2-CG2 4.17Å
128Y96.2Very high92.5Very high83 Ų8344.2 Ų44.233%0.32524%0.239SC..EExtended strand (participates in β ladder)trans-92.1153.3175.2-68.1-92.6000110.7A93 V94 N130 G131 M132A93-Y128 CarbonylContact O-C 3.57Å; A93-Y128 WeakPolarHBondContact O-CA 3.45Å; V94-Y128 HydrophobicContact CG2-CD1 3.43Å; V94-Y128 VanDerWaalsContact CG2-CD1 3.43Å; V94-Y128 HydrophobicContact CG2-CE1 3.45Å; V94-Y128 VanDerWaalsContact CG2-CE1 3.45Å; V94-Y128 HydrophobicContact CG2-CG 4.22Å; Y128-N130 WeakPolarHBondContact CB-OD1 3.2Å; Y128-N130 PolarHBondContact O-N 2.98Å; Y128-N130 VanDerWaalsContact O-N 3.08Å; Y128-G131 PolarHBondContact O-N 2.79Å; Y128-M132 HydrophobicContact CD2-CB 4.3Å; Y128-M132 HydrophobicContact CD2-CE 3.6Å; Y128-M132 WeakPolarHBondContact CD2-O 3.33Å; Y128-M132 HydrophobicContact CE2-CE 3.59Å; Y128-M132 HydrophobicContact CG-CE 4.26Å; Y128-M132 PolarHBondContact N-O 3.05Å
129S95.4Very high93.2Very high30 Ų3041.3 Ų41.321%0.2122%0.224CC..THydrogen-bonded Turntrans-56.7-25.6-178.858.70000115.3S83 W84 A93 G131S83-S129 WeakPolarHBondContact CA-O 3.26Å; W84-S129 PolarHBondContact N-O 2.84Å; W84-S129 VanDerWaalsContact N-O 3.07Å; A93-S129 PolarHBondContact O-N 3.42Å; S129-G131 PolarHBondContact O-N 3.43Å
130N94.3Very high93.8Very high111 Ų11144.7 Ų44.759%0.59424%0.241SC*.THydrogen-bonded Turntrans-76.1-1.4174.565.4-8.2000113.8Y128 M132Y128-N130 WeakPolarHBondContact CB-OD1 3.2Å; Y128-N130 PolarHBondContact O-N 2.98Å; Y128-N130 VanDerWaalsContact O-N 3.08Å; N130-M132 WeakPolarHBondContact OD1-CB 3.49Å; N130-M132 PolarHBondContact OD1-N 2.86Å
131G94Very high94.4Very high1 Ų141.7 Ų41.71%0.0122%0.215CC..SBendtrans86.13.9-175.700000114.3T78 D79 Y128 S129T78-G131 CarbonylContact C-O 3.57Å; T78-G131 WeakPolarHBondContact CA-O 3.47Å; D79-G131 PolarHBondContact N-O 2.94Å; D79-G131 WeakPolarHBondContact O-CA 3.33Å; Y128-G131 PolarHBondContact O-N 2.79Å; S129-G131 PolarHBondContact O-N 3.43Å
132M95.4Very high94.7Very high51 Ų5141.8 Ų41.825%0.25121%0.208SC..EExtended strand (participates in β ladder)trans-71.6132.4173.1-169.6177.483.800109.9N76 Y128 N130N76-M132 PolarHBondContact ND2-SD 3.41Å; N76-M132 VanDerWaalsContact ND2-SD 3.44Å; N76-M132 WeakPolarHBondContact OD1-CG 3.38Å; Y128-M132 HydrophobicContact CD2-CB 4.3Å; Y128-M132 HydrophobicContact CD2-CE 3.6Å; Y128-M132 WeakPolarHBondContact CD2-O 3.33Å; Y128-M132 HydrophobicContact CE2-CE 3.59Å; Y128-M132 HydrophobicContact CG-CE 4.26Å; Y128-M132 PolarHBondContact N-O 3.05Å; N130-M132 WeakPolarHBondContact OD1-CB 3.49Å; N130-M132 PolarHBondContact OD1-N 2.86Å
133V96.7Very high95Very high0 Ų037.8 Ų37.80%019%0.192CC..EExtended strand (participates in β ladder)trans-118.5120.6-179.7-173.60000108.5N76 W77 D79 L82 V125 L126 V127N76-V133 WeakPolarHBondContact CA-O 3.39Å; N76-V133 PolarHBondContact OD1-O 2.92Å; N76-V133 VanDerWaalsContact OD1-O 3.12Å; W77-V133 HydrophobicContact CD2-CB 4.03Å; W77-V133 HydrophobicContact CD2-CG1 4.34Å; W77-V133 HydrophobicContact CG-CB 4.45Å; W77-V133 HydrophobicContact CH2-CB 4.43Å; W77-V133 HydrophobicContact CH2-CG1 3.7Å; W77-V133 HydrophobicContact CZ2-CB 3.9Å; W77-V133 HydrophobicContact CZ2-CG1 3.36Å; W77-V133 HydrophobicContact CZ3-CG1 4.3Å; W77-V133 PolarHBondContact N-O 2.86Å; W77-V133 PolarHBondContact O-N 2.91Å; D79-V133 HydrophobicContact CB-CG2 4.34Å; L82-V133 HydrophobicContact CD1-CG2 4.1Å; V125-V133 HydrophobicContact CB-CG1 3.9Å; V125-V133 HydrophobicContact CG1-CG1 4.36Å; V125-V133 HydrophobicContact CG2-CG1 4.15Å; L126-V133 CarbonylContact O-C 3.46Å; L126-V133 WeakPolarHBondContact O-CA 3.49Å; V127-V133 HydrophobicContact CG1-CG2 4.34Å; V127-V133 HydrophobicContact CG2-CG1 4.22Å; V127-V133 HydrophobicContact CG2-CG2 4.17Å
134S95.8Very high95.1Very high22 Ų2238.4 Ų38.415%0.15420%0.199CC..EExtended strand (participates in β ladder)trans-110.7130.5175.1-179.50000109.9L75 L126L75-S134 WeakPolarHBondContact O-CA 3.31Å; L126-S134 PolarHBondContact N-O 3.07Å; L126-S134 PolarHBondContact O-N 2.81Å
135W95.7Very high95Very high8 Ų834.6 Ų34.63%0.0318%0.179CC..EExtended strand (participates in β ladder)trans-132.3125.9179.8-171.239.5000110.4M73 L75 W77 R104 V119 Y122 V123 V125 P137M73-W135 VanDerWaalsContact O-O 3.08Å; L75-W135 HydrophobicContact CB-CB 4.44Å; L75-W135 HydrophobicContact CD1-CE3 3.52Å; L75-W135 HydrophobicContact CD1-CZ3 3.68Å; L75-W135 PolarHBondContact N-O 2.96Å; L75-W135 PolarHBondContact O-N 2.8Å; W77-W135 HydrophobicContact CH2-CB 3.82Å; W77-W135 HydrophobicContact CH2-CG 4.47Å; W77-W135 HydrophobicContact CZ3-CB 3.72Å; R104-W135 VanDerWaalsContact CD-CH2 3.45Å; R104-W135 HydrophobicContact CG-CE3 4.46Å; R104-W135 HydrophobicContact CG-CZ3 4.09Å; V119-W135 HydrophobicContact CG1-CH2 4.27Å; V119-W135 HydrophobicContact CG2-CH2 3.98Å; V119-W135 HydrophobicContact CG2-CZ2 4.03Å; Y122-W135 HydrophobicContact CD1-CH2 4.36Å; Y122-W135 AromaticContact CD1-CZ2 3.86Å; Y122-W135 HydrophobicContact CD1-CZ2 3.86Å; Y122-W135 HydrophobicContact CE1-CH2 4.3Å; Y122-W135 HydrophobicContact CE1-CZ2 4.27Å; V123-W135 PolarHBondContact O-NE1 3.13Å; V125-W135 HydrophobicContact CG1-CB 3.92Å; V125-W135 HydrophobicContact CG1-CD2 4.47Å; V125-W135 HydrophobicContact CG1-CG 3.71Å; W135-P137 VanDerWaalsContact C-CD 3.42Å; W135-P137 HydrophobicContact CD2-CB 4.48Å; W135-P137 HydrophobicContact CD2-CG 3.83Å; W135-P137 HydrophobicContact CE3-CG 4.03Å; W135-P137 HydrophobicContact CG-CG 4.48Å; W135-P137 HydrophobicContact CH2-CB 4.13Å; W135-P137 HydrophobicContact CH2-CG 3.7Å; W135-P137 HydrophobicContact CZ2-CB 3.56Å; W135-P137 HydrophobicContact CZ2-CG 3.53Å; W135-P137 HydrophobicContact CZ3-CG 3.94Å; W135-P137 WeakPolarHBondContact O-CD 3.49Å
136L94.1Very high94.7Very high77 Ų7739.2 Ų39.240%0.40321%0.211SC..  trans-124.163.3-176-169.974.1000112.2F72 M73 N74 V123F72-L136 HydrophobicContact CB-CD1 3.86Å; F72-L136 HydrophobicContact CB-CG 4.13Å; F72-L136 HydrophobicContact CD1-CG 4.37Å; M73-L136 WeakPolarHBondContact O-CA 3.36Å; N74-L136 HydrophobicContact CB-CD1 4.4Å; N74-L136 WeakPolarHBondContact OD1-CD1 3.45Å; V123-L136 WeakPolarHBondContact CG2-O 3.29Å
137P95.2Very high94.4Very high0 Ų038 Ų380%020%0.204CC..  trans-72.8136.7177.331.6-36.7000111.3M73 V119 W135M73-P137 HydrophobicContact CB-CG 4.22Å; M73-P137 PolarHBondContact N-O 2.64Å; M73-P137 WeakPolarHBondContact O-CD 3.28Å; V119-P137 HydrophobicContact CB-CB 4.03Å; V119-P137 HydrophobicContact CB-CG 4.47Å; V119-P137 HydrophobicContact CG1-CB 4.03Å; V119-P137 HydrophobicContact CG1-CG 3.91Å; V119-P137 HydrophobicContact CG2-CB 3.94Å; W135-P137 VanDerWaalsContact C-CD 3.42Å; W135-P137 HydrophobicContact CD2-CB 4.48Å; W135-P137 HydrophobicContact CD2-CG 3.83Å; W135-P137 HydrophobicContact CE3-CG 4.03Å; W135-P137 HydrophobicContact CG-CG 4.48Å; W135-P137 HydrophobicContact CH2-CB 4.13Å; W135-P137 HydrophobicContact CH2-CG 3.7Å; W135-P137 HydrophobicContact CZ2-CB 3.56Å; W135-P137 HydrophobicContact CZ2-CG 3.53Å; W135-P137 HydrophobicContact CZ3-CG 3.94Å; W135-P137 WeakPolarHBondContact O-CD 3.49Å
138P94.6Very high94Very high25 Ų2543.5 Ų43.516%0.16223%0.23CC..EExtended strand (participates in β ladder)trans-74.6139.9163.230.9-31.2000109.9V71 F72 A120 L121V71-P138 CarbonylContact O-C 3.46Å; V71-P138 WeakPolarHBondContact O-CA 3.45Å; F72-P138 HydrophobicContact CD1-CB 3.77Å; F72-P138 HydrophobicContact CE1-CB 3.63Å; F72-P138 HydrophobicContact CE1-CG 4.31Å; F72-P138 HydrophobicContact CZ-CB 4.47Å; A120-P138 PolarHBondContact N-O 3.15Å; L121-P138 HydrophobicContact CB-CG 3.74Å; L121-P138 HydrophobicContact CD2-CG 4.26Å; L121-P138 PolarHBondContact N-O 3.38Å
139A92.7Very high93.7Very high1 Ų139.9 Ų39.91%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-136.6142.7178.400000110.4V71 V119 Y141V71-A139 HydrophobicContact CG2-CB 4.3Å; V71-A139 PolarHBondContact N-O 3.06Å; V71-A139 PolarHBondContact O-N 3.12Å; V119-A139 HydrophobicContact CB-CB 4.23Å; V119-A139 HydrophobicContact CG1-CB 4.16Å; A139-Y141 HydrophobicContact CB-CD2 3.93Å; A139-Y141 HydrophobicContact CB-CE1 4.18Å; A139-Y141 HydrophobicContact CB-CE2 3.4Å; A139-Y141 VanDerWaalsContact CB-CE2 3.4Å
140I93.6Very high93.4Very high89 Ų8940.8 Ų40.846%0.45623%0.226SC..EExtended strand (participates in β ladder)trans-106.5109.5167.8-63.6164.4000105.7I58 T68 T69I58-I140 HydrophobicContact CD1-CG2 4.4Å; T68-I140 HydrophobicContact CG2-CG2 3.96Å; T69-I140 CarbonylContact O-C 3.54Å; T69-I140 VanDerWaalsContact O-CA 3.28Å; T69-I140 WeakPolarHBondContact O-CA 3.19Å
141Y94.4Very high93.2Very high4 Ų439.1 Ų39.12%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-104141.7-178-75.6-54000111.2T68 T69 V71 M73 L109 A139 F163T68-Y141 WeakPolarHBondContact CA-O 3.33Å; T69-Y141 PolarHBondContact N-O 3.49Å; T69-Y141 PolarHBondContact O-N 3.12Å; V71-Y141 HydrophobicContact CG2-CD2 3.5Å; V71-Y141 HydrophobicContact CG2-CE2 3.73Å; M73-Y141 HydrophobicContact CG-CE2 3.92Å; M73-Y141 HydrophobicContact SD-CE2 3.87Å; L109-Y141 HydrophobicContact CB-CD1 4.01Å; L109-Y141 HydrophobicContact CB-CE1 4.08Å; L109-Y141 HydrophobicContact CD2-CD1 3.85Å; L109-Y141 HydrophobicContact CD2-CG 4.06Å; A139-Y141 HydrophobicContact CB-CD2 3.93Å; A139-Y141 HydrophobicContact CB-CE1 4.18Å; A139-Y141 HydrophobicContact CB-CE2 3.4Å; A139-Y141 VanDerWaalsContact CB-CE2 3.4Å; Y141-F163 HydrophobicContact CD2-CE1 4.21Å; Y141-F163 AromaticContact CD2-CZ 3.84Å; Y141-F163 HydrophobicContact CD2-CZ 3.84Å; Y141-F163 HydrophobicContact CE1-CE1 4.38Å; Y141-F163 AromaticContact CE2-CE1 3.56Å; Y141-F163 HydrophobicContact CE2-CE1 3.56Å; Y141-F163 AromaticContact CE2-CZ 3.56Å; Y141-F163 HydrophobicContact CE2-CZ 3.56Å; Y141-F163 AromaticContact CZ-CE1 3.67Å
142R94.7Very high93.1Very high105 Ų10539.2 Ų39.240%0.39621%0.212SC..EExtended strand (participates in β ladder)trans-118.878176.9-77.1165.8164.1-161.60.3109.9E66 M67 T68 N112 H113 D114E66-R142 HydrophobicContact CG-CB 4.17Å; E66-R142 HydrophobicContact CG-CG 4.48Å; E66-R142 VanDerWaalsContact OE1-CB 3.29Å; E66-R142 WeakPolarHBondContact OE1-CB 3.36Å; E66-R142 WeakPolarHBondContact OE1-CD 3.37Å; E66-R142 WeakPolarHBondContact OE1-CG 3.49Å; E66-R142 IonicContact OE1-CZ 3.93Å; E66-R142 IonicContact OE1-NE 3.47Å; E66-R142 PolarHBondContact OE1-NE 2.7Å; M67-R142 CarbonylContact O-C 3.59Å; M67-R142 WeakPolarHBondContact O-CA 2.9Å; T68-R142 HydrophobicContact CG2-CG 4.13Å; N112-R142 PolarHBondContact OD1-O 3.38Å; H113-R142 PolarHBondContact N-O 3.31Å; D114-R142 HydrophobicContact CB-CB 4.45Å; D114-R142 WeakPolarHBondContact OD2-CD 3.27Å; D114-R142 IonicContact OD2-NH1 3.34Å
143S94.9Very high92.9Very high0 Ų036.8 Ų36.80%020%0.2CC..EExtended strand (participates in β ladder)trans-79.6140-177.953.60000111.4M67 N111M67-S143 WeakPolarHBondContact CE-OG 3.4Å; M67-S143 PolarHBondContact N-O 2.99Å; M67-S143 PolarHBondContact O-N 2.87Å; M67-S143 PolarHBondContact O-OG 3.43Å; N111-S143 CarbonylContact O-C 3.51Å; N111-S143 WeakPolarHBondContact O-CA 3.33Å
144S93.7Very high92.7Very high57 Ų5739.1 Ų39.140%0.39921%0.21SC..EExtended strand (participates in β ladder)trans-69.6129.8166.7-177.20000110.1G65 N111G65-S144 WeakPolarHBondContact O-CA 3.45Å; N111-S144 PolarHBondContact ND2-O 2.98Å; N111-S144 VanDerWaalsContact ND2-O 3.11Å; N111-S144 PolarHBondContact O-N 3.35Å
145C93.7Very high92.5Very high6 Ų638.2 Ų38.24%0.04120%0.204CC..  trans-135127.8177.7177.30000109.1L60 G65 M67 C159L60-C145 HydrophobicContact CD1-CB 4.32Å; G65-C145 CarbonylContact C-O 3.52Å; G65-C145 WeakPolarHBondContact CA-O 3.45Å; G65-C145 PolarHBondContact O-N 2.88Å; M67-C145 HydrophobicContact CB-CB 4.46Å; C145-C159 HydrophobicContact CB-CB 3.74Å; C145-C159 WeakPolarHBondContact CB-SG 3.47Å; C145-C159 WeakPolarHBondContact SG-CA 3.36Å; C145-C159 WeakPolarHBondContact SG-CB 3.27Å; C145-C159 CovalentContact SG-SG 2.05Å; C145-C159 PolarHBondContact SG-SG 2.89Å
146S89.8Confident92.5Very high98 Ų9840.2 Ų40.269%0.68521%0.212SC*.  trans-74.9125.7174.453.40000110.3
147I90.3Very high92.5Very high29 Ų2936.6 Ų36.615%0.14919%0.193CC..  trans-94.7126.4-176.3-51-61.5000110.4L60 E62 V149L60-I147 HydrophobicContact CD1-CD1 3.88Å; L60-I147 HydrophobicContact CD2-CD1 3.6Å; L60-I147 HydrophobicContact CG-CD1 3.84Å; E62-I147 HydrophobicContact CB-CG2 4.38Å; E62-I147 HydrophobicContact CG-CG2 4.34Å; I147-V149 HydrophobicContact CG2-CG1 4.02Å
148E89.5Confident92.5Very high116 Ų11639.7 Ų39.754%0.54221%0.209SC..  trans-89.5110.6170.9-67.5-174-171.400109.9Q157E148-Q157 PolarHBondContact O-NE2 3.37Å
149V89.5Confident92.5Very high8 Ų838.5 Ų38.55%0.04820%0.201CC..  trans-94.6-7-170.9-61.90000114.4I147 Y151 F152 P285 G290 P292I147-V149 HydrophobicContact CG2-CG1 4.02Å; V149-Y151 VanDerWaalsContact C-N 3.33Å; V149-Y151 PolarHBondContact O-N 3.33Å; V149-F152 WeakPolarHBondContact O-CB 3.37Å; V149-F152 PolarHBondContact O-N 2.69Å; V149-P285 HydrophobicContact CG1-CG 3.56Å; V149-G290 VanDerWaalsContact CG2-O 3.3Å; V149-G290 WeakPolarHBondContact CG2-O 3.4Å; V149-P292 HydrophobicContact CB-CG 4.28Å; V149-P292 VanDerWaalsContact O-CA 3.28Å; V149-P292 WeakPolarHBondContact O-CA 3.38Å; V149-P292 WeakPolarHBondContact O-CB 3.48Å
150A88.4Confident92.7Very high49 Ų4940 Ų4041%0.40521%0.212SC..THydrogen-bonded Turntrans-56.2-44.5-170.400000113P292 I293A150-P292 CarbonylContact O-C 3.48Å; A150-I293 PolarHBondContact O-N 3.29Å
151Y91.3Very high92.8Very high75 Ų7535.8 Ų35.829%0.29419%0.19SC..THydrogen-bonded Turntrans-102.210-175.8-74.5-77.4000114.5V149 F154 I293 D475 N479V149-Y151 VanDerWaalsContact C-N 3.33Å; V149-Y151 PolarHBondContact O-N 3.33Å; Y151-F154 CarbonylContact O-C 3.51Å; Y151-F154 VanDerWaalsContact O-C 3.3Å; Y151-F154 VanDerWaalsContact O-CA 3.31Å; Y151-F154 WeakPolarHBondContact O-CA 3.27Å; Y151-F154 PolarHBondContact O-N 3.12Å; Y151-I293 HydrophobicContact CD1-CD1 4.25Å; Y151-I293 HydrophobicContact CE1-CD1 4.31Å; Y151-D475 PolarHBondContact OH-OD1 3.04Å; Y151-N479 WeakPolarHBondContact CB-ND2 3.35Å; Y151-N479 HydrophobicContact CD1-CB 3.73Å; Y151-N479 HydrophobicContact CD2-CB 4.13Å; Y151-N479 HydrophobicContact CE1-CB 4.07Å; Y151-N479 HydrophobicContact CE2-CB 4.44Å; Y151-N479 HydrophobicContact CG-CB 3.76Å
152F90.3Very high92.8Very high4 Ų436.6 Ų36.62%0.01820%0.196CC..THydrogen-bonded Turntrans-55.5131179.1177.6-83.4000111.6V149 Y234 V284 P292 I293 I294V149-F152 WeakPolarHBondContact O-CB 3.37Å; V149-F152 PolarHBondContact O-N 2.69Å; F152-Y234 HydrophobicContact CE1-CD1 4.23Å; F152-Y234 AromaticContact CE1-CE1 3.9Å; F152-Y234 HydrophobicContact CE1-CE1 3.9Å; F152-Y234 HydrophobicContact CE2-CE1 4.48Å; F152-Y234 HydrophobicContact CZ-CD1 4.19Å; F152-Y234 AromaticContact CZ-CE1 3.46Å; F152-Y234 HydrophobicContact CZ-CE1 3.46Å; F152-Y234 VanDerWaalsContact CZ-CE1 3.46Å; F152-Y234 HydrophobicContact CZ-CE2 4.38Å; F152-Y234 AromaticContact CZ-CZ 3.57Å; F152-V284 HydrophobicContact CD1-CG2 4.4Å; F152-V284 HydrophobicContact CE1-CG2 4.18Å; F152-P292 HydrophobicContact CB-CB 4.26Å; F152-I293 WeakPolarHBondContact O-CG2 3.45Å; F152-I294 HydrophobicContact CD1-CG2 3.74Å; F152-I294 HydrophobicContact CE1-CG2 4.23Å; F152-I294 WeakPolarHBondContact O-CG2 3.48Å
153P91.8Very high92.8Very high0 Ų031.7 Ų31.70%018%0.177CC..THydrogen-bonded Turncis-9612.28.439.7-39.5000115.1D155 R229 P231 Y234 I294P153-D155 WeakPolarHBondContact CA-OD1 3.42Å; P153-D155 PolarHBondContact O-N 2.95Å; P153-R229 WeakPolarHBondContact O-CD 3.3Å; P153-P231 HydrophobicContact CB-CB 4.44Å; P153-P231 HydrophobicContact CG-CB 4.35Å; P153-Y234 HydrophobicContact CB-CD1 4.31Å; P153-Y234 HydrophobicContact CB-CD2 3.63Å; P153-Y234 HydrophobicContact CB-CE2 4.25Å; P153-Y234 HydrophobicContact CB-CG 3.66Å; P153-Y234 HydrophobicContact CG-CD2 4.4Å; P153-Y234 HydrophobicContact CG-CG 4.04Å; P153-I294 HydrophobicContact CG-CD1 4.44Å
154F92.1Very high92.8Very high48 Ų4833.9 Ų33.921%0.21119%0.185CC..SBendtrans-94.137.4174.8-55.6-83.4000110.6Y151 P231 I235 I239 A476 N479Y151-F154 CarbonylContact O-C 3.51Å; Y151-F154 VanDerWaalsContact O-C 3.3Å; Y151-F154 VanDerWaalsContact O-CA 3.31Å; Y151-F154 WeakPolarHBondContact O-CA 3.27Å; Y151-F154 PolarHBondContact O-N 3.12Å; F154-P231 HydrophobicContact CD1-CB 3.95Å; F154-P231 HydrophobicContact CD1-CG 3.79Å; F154-P231 HydrophobicContact CE1-CB 3.82Å; F154-P231 HydrophobicContact CE1-CG 3.7Å; F154-P231 HydrophobicContact CZ-CB 4.44Å; F154-I235 HydrophobicContact CE1-CD1 4.1Å; F154-I235 HydrophobicContact CZ-CD1 4.24Å; F154-I235 HydrophobicContact CZ-CG1 4.19Å; F154-I239 HydrophobicContact CE2-CD1 4.13Å; F154-I239 HydrophobicContact CZ-CD1 4.1Å; F154-A476 HydrophobicContact CB-CB 4.43Å; F154-A476 HydrophobicContact CD2-CB 3.66Å; F154-A476 HydrophobicContact CE2-CB 4.12Å; F154-A476 HydrophobicContact CG-CB 4.13Å; F154-N479 PolarHBondContact O-ND2 3.15Å
155D92.9Very high92.7Very high3 Ų331.4 Ų31.42%0.01617%0.168CC..  trans-92.1151.9-175.156.9-55.5000111.9P153 Q157 R229P153-D155 WeakPolarHBondContact CA-OD1 3.42Å; P153-D155 PolarHBondContact O-N 2.95Å; D155-Q157 PolarHBondContact OD2-NE2 2.97Å; D155-R229 PolarHBondContact O-N 2.81Å; D155-R229 IonicContact OD1-CZ 2.63Å; D155-R229 IonicContact OD1-NE 3.01Å; D155-R229 PolarHBondContact OD1-NE 2.9Å; D155-R229 IonicContact OD1-NH2 3.41Å; D155-R229 IonicContact OD2-CZ 3.72Å; D155-R229 IonicContact OD2-NE 3.85Å; D155-R229 PolarHBondContact OD2-NE 3.11Å; D155-R229 IonicContact OD2-NH2 3.56Å; D155-R229 PolarHBondContact OD2-NH2 3.01Å
156W94.3Very high92.5Very high51 Ų5138.9 Ų38.919%0.19320%0.196CC..EExtended strand (participates in β ladder)trans-120.4148.4162.657.4-90.6000108.2N158 I226 I227 N479 T481W156-N158 HydrophobicContact CZ3-CB 4.39Å; W156-I226 HydrophobicContact CE3-CG2 4.29Å; W156-I227 CarbonylContact C-O 3.54Å; W156-I227 WeakPolarHBondContact CA-O 3.13Å; W156-I227 WeakPolarHBondContact CB-O 3.35Å; W156-N479 PolarHBondContact NE1-OD1 2.96Å; W156-T481 HydrophobicContact CB-CG2 3.41Å; W156-T481 VanDerWaalsContact CB-CG2 3.41Å; W156-T481 HydrophobicContact CD2-CG2 4.24Å; W156-T481 HydrophobicContact CG-CG2 3.65Å
157Q94.8Very high92.6Very high1 Ų139 Ų391%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-125.3140.3-175-55.7-61.9-24.700109.4L60 E148 D155 W202 I226 I227L60-Q157 HydrophobicContact CD2-CB 4.17Å; L60-Q157 HydrophobicContact CD2-CG 3.84Å; E148-Q157 PolarHBondContact O-NE2 3.37Å; D155-Q157 PolarHBondContact OD2-NE2 2.97Å; Q157-W202 HydrophobicContact CG-CH2 3.75Å; Q157-W202 HydrophobicContact CG-CZ3 3.92Å; Q157-I226 WeakPolarHBondContact O-CA 3.37Å; Q157-I227 HydrophobicContact CB-CD1 4.46Å; Q157-I227 HydrophobicContact CB-CG1 4.12Å; Q157-I227 PolarHBondContact N-O 3.26Å; Q157-I227 PolarHBondContact O-N 3.02Å
158N94.9Very high92.6Very high65 Ų6539.5 Ų39.535%0.34819%0.193SC..EExtended strand (participates in β ladder)trans-107.892.4174.5-176.34.8000109.3W156 I226W156-N158 HydrophobicContact CZ3-CB 4.39Å; N158-I226 HydrophobicContact CB-CG1 4.35Å
159C95.8Very high92.7Very high0 Ų037.3 Ų37.30%019%0.185CC..EExtended strand (participates in β ladder)trans-98.1132.4179.8-65.10000111.1M67 C145 L225M67-C159 HydrophobicContact CE-CB 3.83Å; M67-C159 HydrophobicContact SD-CB 3.52Å; M67-C159 VanDerWaalsContact SD-CB 3.52Å; C145-C159 HydrophobicContact CB-CB 3.74Å; C145-C159 WeakPolarHBondContact CB-SG 3.47Å; C145-C159 WeakPolarHBondContact SG-CA 3.36Å; C145-C159 WeakPolarHBondContact SG-CB 3.27Å; C145-C159 CovalentContact SG-SG 2.05Å; C145-C159 PolarHBondContact SG-SG 2.89Å; C159-L225 PolarHBondContact N-O 3.5Å; C159-L225 PolarHBondContact O-N 2.92Å
160S95.8Very high92.8Very high33 Ų3337.1 Ų37.123%0.23119%0.185CC..EExtended strand (participates in β ladder)trans-108.5148.1178.357.20000111.9N111 F223N111-S160 PolarHBondContact ND2-O 2.93Å; S160-F223 CarbonylContact C-O 3.53Å; S160-F223 WeakPolarHBondContact CA-O 3.05Å
161M95.5Very high92.9Very high0 Ų037.1 Ų37.10%018%0.182CC..EExtended strand (participates in β ladder)trans-121.4114.1166.2-67.6169.8-79.300108M52 M67 T69 L109 F163 I189 T222 F223 L225M52-M161 HydrophobicContact CE-CE 3.44Å; M52-M161 VanDerWaalsContact CE-CE 3.44Å; M52-M161 HydrophobicContact CE-SD 4.26Å; M52-M161 HydrophobicContact SD-CE 4.18Å; M52-M161 HydrophobicContact SD-SD 4.22Å; M67-M161 HydrophobicContact CE-CE 3.99Å; M67-M161 HydrophobicContact CE-CG 3.74Å; M67-M161 HydrophobicContact CE-SD 3.91Å; T69-M161 HydrophobicContact CG2-SD 4.23Å; L109-M161 HydrophobicContact CD1-CB 3.87Å; L109-M161 HydrophobicContact CD1-CG 4.36Å; M161-F163 HydrophobicContact CB-CE2 3.85Å; M161-I189 HydrophobicContact CE-CD1 4.29Å; M161-T222 WeakPolarHBondContact O-CA 3.34Å; M161-F223 HydrophobicContact CE-CB 4.36Å; M161-F223 PolarHBondContact N-O 3.49Å; M161-F223 PolarHBondContact O-N 2.93Å; M161-L225 HydrophobicContact CE-CD1 4.33Å
162V95.1Very high92.9Very high21 Ų2136.2 Ų36.213%0.12718%0.18CC..EExtended strand (participates in β ladder)trans-101.8112-172.7-175.70000109.3L109 I110 N111 D220 T222L109-V162 WeakPolarHBondContact CA-O 3.35Å; I110-V162 HydrophobicContact CB-CG1 4.49Å; I110-V162 PolarHBondContact N-O 2.56Å; N111-V162 HydrophobicContact CB-CG2 4.43Å; N111-V162 PolarHBondContact OD1-N 2.88Å; V162-D220 HydrophobicContact CG1-CB 3.94Å; V162-T222 HydrophobicContact CG2-CG2 4.14Å
163F95.3Very high93.1Very high1 Ų136.2 Ų36.20%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-105.8130.6178-68.9-84.6000111.5M52 M73 I107 Y108 L109 Y141 M161 D220 I221 F223M52-F163 HydrophobicContact SD-CE2 4.1Å; M52-F163 HydrophobicContact SD-CZ 4.41Å; M73-F163 HydrophobicContact CE-CD1 3.67Å; M73-F163 HydrophobicContact CE-CD2 4.13Å; M73-F163 HydrophobicContact CE-CE1 3.47Å; M73-F163 VanDerWaalsContact CE-CE1 3.47Å; M73-F163 HydrophobicContact CE-CE2 3.94Å; M73-F163 HydrophobicContact CE-CG 3.98Å; M73-F163 HydrophobicContact CE-CZ 3.6Å; M73-F163 HydrophobicContact SD-CE1 3.87Å; M73-F163 HydrophobicContact SD-CE2 4.24Å; M73-F163 HydrophobicContact SD-CZ 3.62Å; I107-F163 HydrophobicContact CG2-CB 3.93Å; I107-F163 HydrophobicContact CG2-CD1 4.1Å; I107-F163 HydrophobicContact CG2-CG 4.42Å; Y108-F163 WeakPolarHBondContact O-CA 3.27Å; L109-F163 HydrophobicContact CB-CE1 4.19Å; L109-F163 HydrophobicContact CD1-CE1 4.38Å; L109-F163 HydrophobicContact CD1-CE2 4.39Å; L109-F163 HydrophobicContact CD1-CZ 4.19Å; Y141-F163 HydrophobicContact CD2-CE1 4.21Å; Y141-F163 AromaticContact CD2-CZ 3.84Å; Y141-F163 HydrophobicContact CD2-CZ 3.84Å; Y141-F163 HydrophobicContact CE1-CE1 4.38Å; Y141-F163 AromaticContact CE2-CE1 3.56Å; Y141-F163 HydrophobicContact CE2-CE1 3.56Å; Y141-F163 AromaticContact CE2-CZ 3.56Å; Y141-F163 HydrophobicContact CE2-CZ 3.56Å; Y141-F163 AromaticContact CZ-CE1 3.67Å; M161-F163 HydrophobicContact CB-CE2 3.85Å; F163-D220 WeakPolarHBondContact O-CA 3.36Å; F163-I221 PolarHBondContact N-O 2.97Å; F163-I221 PolarHBondContact O-N 3.16Å; F163-F223 AromaticContact CD2-CD2 3.56Å; F163-F223 HydrophobicContact CD2-CD2 3.56Å; F163-F223 AromaticContact CD2-CE2 3.71Å; F163-F223 HydrophobicContact CD2-CE2 3.71Å; F163-F223 AromaticContact CE2-CD2 3.72Å; F163-F223 HydrophobicContact CE2-CD2 3.72Å; F163-F223 HydrophobicContact CE2-CE2 4.06Å
164R93.3Very high93.2Very high47 Ų4737.6 Ų37.618%0.17719%0.188CC..EExtended strand (participates in β ladder)trans-148.4156.8178.3174.1169.3179.3-155.2-0.6110.2Y108 I110 D169 E219 D220Y108-R164 PolarHBondContact N-O 3.42Å; Y108-R164 PolarHBondContact O-N 3.05Å; Y108-R164 VanDerWaalsContact O-N 3.14Å; I110-R164 HydrophobicContact CD1-CB 4.23Å; I110-R164 HydrophobicContact CG1-CB 3.83Å; R164-D169 IonicContact NH2-OD1 3.83Å; R164-D169 PolarHBondContact NH2-OD1 3.48Å; R164-E219 WeakPolarHBondContact CD-O 3.38Å; R164-E219 VanDerWaalsContact CG-O 3.27Å; R164-E219 WeakPolarHBondContact CG-O 3.15Å; R164-D220 HydrophobicContact CB-CB 4.17Å
165S92.8Very high93.3Very high4 Ų435.6 Ų35.63%0.02818%0.179CC..EExtended strand (participates in β ladder)trans-71.3126.6165.7172.50000110.2D106 Y168D106-S165 WeakPolarHBondContact O-CA 3.48Å; D106-S165 PolarHBondContact OD1-OG 3.43Å; S165-Y168 WeakPolarHBondContact CB-O 2.92Å; S165-Y168 WeakPolarHBondContact OG-CA 3.36Å; S165-Y168 VanDerWaalsContact OG-CB 3.27Å; S165-Y168 WeakPolarHBondContact OG-CB 3.26Å; S165-Y168 PolarHBondContact OG-N 2.77Å; S165-Y168 PolarHBondContact OG-O 2.8Å
166Y89.4Confident93.4Very high164 Ų16437.8 Ų37.864%0.64319%0.189SC*.SBendtrans-76.7-31.4-176.6-168.2-92.6000112.9D106 Y108 I110D106-Y166 PolarHBondContact O-N 3.13Å; D106-Y166 PolarHBondContact OD2-N 2.98Å; Y108-Y166 HydrophobicContact CD2-CG 4.47Å; I110-Y166 HydrophobicContact CD1-CD2 4.28Å
167T91.1Very high93.3Very high99 Ų9935.7 Ų35.761%0.60718%0.182SC*.SBendtrans-104.5-35-175.1-45.60000112.7D106D106-T167 WeakPolarHBondContact OD2-CA 3.41Å; D106-T167 WeakPolarHBondContact OD2-CB 3.42Å; D106-T167 PolarHBondContact OD2-N 2.88Å; D106-T167 PolarHBondContact OD2-OG1 2.92Å
168Y91.6Very high93.1Very high40 Ų4038.3 Ų38.316%0.15719%0.192CC..  trans-97.9136.2-174.9-57.5-68.7000111.9R37 W103 D106 S165 E172 V173R37-Y168 HydrophobicContact CB-CE1 4.41Å; W103-Y168 HydrophobicContact CZ2-CD2 4.43Å; W103-Y168 AromaticContact CZ2-CE2 3.74Å; W103-Y168 HydrophobicContact CZ2-CE2 3.74Å; W103-Y168 AromaticContact NE1-CZ 3.84Å; W103-Y168 PolarHBondContact NE1-OH 3.03Å; D106-Y168 VanDerWaalsContact OD1-CD2 3.26Å; D106-Y168 WeakPolarHBondContact OD1-CD2 3.49Å; S165-Y168 WeakPolarHBondContact CB-O 2.92Å; S165-Y168 WeakPolarHBondContact OG-CA 3.36Å; S165-Y168 VanDerWaalsContact OG-CB 3.27Å; S165-Y168 WeakPolarHBondContact OG-CB 3.26Å; S165-Y168 PolarHBondContact OG-N 2.77Å; S165-Y168 PolarHBondContact OG-O 2.8Å; Y168-E172 HydrophobicContact CD1-CB 4.2Å; Y168-E172 WeakPolarHBondContact CD1-OE2 3.33Å; Y168-V173 HydrophobicContact CD1-CG2 4.48Å; Y168-V173 HydrophobicContact CD2-CG2 3.87Å; Y168-V173 HydrophobicContact CG-CG2 3.73Å
169D91Very high92.9Very high70 Ų7037.6 Ų37.637%0.37419%0.189SC..  trans-89.2170.6173.3-65.7-36.1000112R164 S171 E172 V173 L217R164-D169 IonicContact NH2-OD1 3.83Å; R164-D169 PolarHBondContact NH2-OD1 3.48Å; D169-S171 PolarHBondContact O-N 2.66Å; D169-E172 PolarHBondContact O-N 3.48Å; D169-V173 PolarHBondContact O-N 2.86Å; D169-V173 VanDerWaalsContact O-N 3.07Å; D169-L217 HydrophobicContact CB-CB 4.32Å
170A91.4Very high92.5Very high5 Ų541 Ų414%0.04121%0.207CC..THydrogen-bonded Turntrans-55.7-19.4175.600000114.4R45 E172 V173 L217 E219R45-A170 VanDerWaalsContact CD-O 3.3Å; R45-A170 WeakPolarHBondContact CD-O 3.38Å; R45-A170 PolarHBondContact NE-O 2.98Å; R45-A170 PolarHBondContact NH1-O 2.71Å; A170-E172 VanDerWaalsContact C-N 3.31Å; A170-V173 WeakPolarHBondContact CA-O 3.34Å; A170-L217 HydrophobicContact CB-CB 4.03Å; A170-L217 HydrophobicContact CB-CD2 4.2Å; A170-L217 VanDerWaalsContact CB-O 3.27Å; A170-L217 WeakPolarHBondContact CB-O 3.3Å; A170-L217 PolarHBondContact N-O 3.11Å; A170-E219 HydrophobicContact CB-CB 4.32Å; A170-E219 VanDerWaalsContact CB-CD 3.45Å; A170-E219 HydrophobicContact CB-CG 3.65Å; A170-E219 WeakPolarHBondContact CB-OE1 3.31Å
171S90.6Very high91.9Very high49 Ų4948.7 Ų48.734%0.34324%0.239SC..THydrogen-bonded Turntrans-74.8-18.7174.556.90000114.1R45 D169R45-S171 VanDerWaalsContact CG-O 3.31Å; R45-S171 WeakPolarHBondContact CG-O 3.28Å; D169-S171 PolarHBondContact O-N 2.66Å
172E92.1Very high91.3Very high56 Ų5655.3 Ų55.326%0.26228%0.275SS..THydrogen-bonded Turntrans-115.1-38.5-173.7-60.6-162.8104.300112.9R37 R45 V46 Y168 D169 A170R37-E172 IonicContact CZ-OE1 2.86Å; R37-E172 IonicContact NE-OE1 2.79Å; R37-E172 PolarHBondContact NE-OE1 3.13Å; R37-E172 PolarHBondContact NH1-O 2.84Å; R37-E172 IonicContact NH2-OE1 3.31Å; R37-E172 PolarHBondContact NH2-OE1 3.35Å; R45-E172 WeakPolarHBondContact CA-O 3.45Å; V46-E172 PolarHBondContact N-O 3.25Å; Y168-E172 HydrophobicContact CD1-CB 4.2Å; Y168-E172 WeakPolarHBondContact CD1-OE2 3.33Å; D169-E172 PolarHBondContact O-N 3.48Å; A170-E172 VanDerWaalsContact C-N 3.31Å
173V93.6Very high90.8Very high4 Ų456.6 Ų56.62%0.02429%0.292CS..EExtended strand (participates in β ladder)trans-127.1128.4178.41740000108.2V46 V48 Y168 D169 A170 L175V46-V173 WeakPolarHBondContact O-CA 3.33Å; V48-V173 HydrophobicContact CB-CG1 4.12Å; V48-V173 HydrophobicContact CG2-CG1 3.65Å; Y168-V173 HydrophobicContact CD1-CG2 4.48Å; Y168-V173 HydrophobicContact CD2-CG2 3.87Å; Y168-V173 HydrophobicContact CG-CG2 3.73Å; D169-V173 PolarHBondContact O-N 2.86Å; D169-V173 VanDerWaalsContact O-N 3.07Å; A170-V173 WeakPolarHBondContact CA-O 3.34Å; V173-L175 HydrophobicContact CG1-CD2 4.04Å
174D94.3Very high90.4Very high29 Ų2960.4 Ų60.416%0.15532%0.315CS..EExtended strand (participates in β ladder)trans-101.9114.4173.7173.633.5000108.7R45 V46 T47 V48 Q176 K211R45-D174 HydrophobicContact CB-CB 4.45Å; V46-D174 PolarHBondContact O-N 2.81Å; T47-D174 WeakPolarHBondContact CA-O 3.39Å; V48-D174 PolarHBondContact N-O 2.92Å; D174-Q176 PolarHBondContact OD2-NE2 3.11Å; D174-K211 IonicContact OD1-NZ 3.35Å; D174-K211 PolarHBondContact OD1-NZ 2.92Å
175L94.5Very high90.2Very high5 Ų563 Ų633%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-81.8124.6177.8-63.7-178.6000109.4V48 V50 I107 V173 K211 E219 I221V48-L175 HydrophobicContact CB-CD2 4.23Å; V48-L175 HydrophobicContact CG1-CD2 4.5Å; V50-L175 HydrophobicContact CG2-CD2 4.28Å; I107-L175 HydrophobicContact CD1-CD2 3.59Å; V173-L175 HydrophobicContact CG1-CD2 4.04Å; L175-K211 VanDerWaalsContact O-CD 3.23Å; L175-K211 WeakPolarHBondContact O-CD 3.37Å; L175-K211 WeakPolarHBondContact O-CE 3.28Å; L175-K211 PolarHBondContact O-NZ 3.06Å; L175-E219 PolarHBondContact N-OE2 2.93Å; L175-I221 HydrophobicContact CB-CD1 3.83Å; L175-I221 HydrophobicContact CB-CG1 4.15Å
176Q93.6Very high90.1Very high49 Ų4964.4 Ų64.423%0.22934%0.336CS..EExtended strand (participates in β ladder)trans-125.1157.6177.1-68.6-170.6400111.2T47 V48 R49 V50 D174 I221T47-Q176 HydrophobicContact CG2-CB 4.21Å; T47-Q176 HydrophobicContact CG2-CG 3.78Å; V48-Q176 PolarHBondContact O-N 3.22Å; R49-Q176 CarbonylContact C-O 3.58Å; R49-Q176 VanDerWaalsContact CA-O 3.26Å; R49-Q176 WeakPolarHBondContact CA-O 3Å; R49-Q176 HydrophobicContact CG-CB 4.13Å; R49-Q176 VanDerWaalsContact NH2-OE1 3.13Å; V50-Q176 PolarHBondContact N-O 3.28Å; D174-Q176 PolarHBondContact OD2-NE2 3.11Å; Q176-I221 VanDerWaalsContact O-CD1 3.29Å; Q176-I221 WeakPolarHBondContact O-CD1 3.45Å
177V93.3Very high90.1Very high8 Ų861.5 Ų61.55%0.04833%0.328CS..EExtended strand (participates in β ladder)trans-71.2149.6175-175.20000109.6R49 I186R49-V177 PolarHBondContact NH1-O 3.44Å; R49-V177 VanDerWaalsContact NH1-O 3.17Å; V177-I186 WeakPolarHBondContact CG1-O 3.03Å
178Y91Very high90.2Very high55 Ų5561.1 Ų61.122%0.21632%0.32CS..PPolyproline II helixtrans-64.5150.3177.4-158.1-98.3000112.2R49 V50 N74 N76 I186R49-Y178 HydrophobicContact CB-CD2 4.38Å; V50-Y178 PolarHBondContact O-N 2.93Å; N74-Y178 HydrophobicContact CB-CD2 3.76Å; N74-Y178 HydrophobicContact CB-CE1 4.47Å; N74-Y178 HydrophobicContact CB-CE2 3.62Å; N74-Y178 HydrophobicContact CB-CG 4.26Å; N76-Y178 HydrophobicContact CB-CE2 4.06Å; Y178-I186 HydrophobicContact CD1-CD1 4.34Å; Y178-I186 PolarHBondContact O-N 2.98Å
179L90.3Very high90.3Very high51 Ų5159.2 Ų59.227%0.26731%0.312SS..BIsolated β-bridgetrans-103.3141.8177.6-62.5178.2000110.4R49 T184 E185R49-L179 VanDerWaalsContact NH1-CG 3.26Å; L179-T184 CarbonylContact C-O 3.38Å; L179-T184 WeakPolarHBondContact CA-O 3.43Å; L179-E185 HydrophobicContact CD2-CB 4.44Å; L179-E185 HydrophobicContact CD2-CG 3.66Å
180D86.3Confident90.5Very high71 Ų7158.4 Ų58.438%0.3831%0.309SS..PPolyproline II helixtrans-70170167.2-164.619.5000111.6N182 G183 T184 I186D180-N182 PolarHBondContact O-N 3.48Å; D180-N182 VanDerWaalsContact O-N 3.12Å; D180-G183 PolarHBondContact O-N 3.46Å; D180-T184 PolarHBondContact N-O 2.98Å; D180-I186 HydrophobicContact CB-CD1 3.84Å; D180-I186 HydrophobicContact CB-CG1 3.98Å
181E83Confident90.5Very high194 Ų19460.2 Ų60.291%0.90732%0.318SS*.THydrogen-bonded Turntrans-56.4-28.6175.8-63.8-172.6170.200112.4G183E181-G183 VanDerWaalsContact C-N 3.32Å
182N84.6Confident90.2Very high140 Ų14061.3 Ų61.375%0.74932%0.32SS*.THydrogen-bonded Turntrans-84.2-0.5176.8-64.4-33.9000114.2D180D180-N182 PolarHBondContact O-N 3.48Å; D180-N182 VanDerWaalsContact O-N 3.12Å
183G83.4Confident89.9Confident47 Ų4767.6 Ų67.649%0.48535%0.347SS..SBendtrans81.213.3-179.800000115.2D180 E181D180-G183 PolarHBondContact O-N 3.46Å; E181-G183 VanDerWaalsContact C-N 3.32Å
184T87.9Confident89.5Confident81 Ų8174.9 Ų74.950%0.49739%0.385SS..  trans-89142175.348.80000111.5L179 D180L179-T184 CarbonylContact C-O 3.38Å; L179-T184 WeakPolarHBondContact CA-O 3.43Å; D180-T184 PolarHBondContact N-O 2.98Å
185E89Confident88.9Confident102 Ų10275.8 Ų75.848%0.47740%0.397SS..BIsolated β-bridgetrans-70.1133.1177.9-65.3-176.6177.400112L179 H187L179-E185 HydrophobicContact CD2-CB 4.44Å; L179-E185 HydrophobicContact CD2-CG 3.66Å; E185-H187 IonicContact OE2-CE1 2.91Å; E185-H187 IonicContact OE2-NE2 2.97Å
186I90.1Very high88.7Confident33 Ų3377.7 Ų77.717%0.16941%0.405CS..  trans-99.696-179.3-57.6172.4000109.9V177 Y178 D180 E188 V190 S209V177-I186 WeakPolarHBondContact CG1-O 3.03Å; Y178-I186 HydrophobicContact CD1-CD1 4.34Å; Y178-I186 PolarHBondContact O-N 2.98Å; D180-I186 HydrophobicContact CB-CD1 3.84Å; D180-I186 HydrophobicContact CB-CG1 3.98Å; I186-E188 HydrophobicContact CG2-CG 3.92Å; I186-E188 WeakPolarHBondContact CG2-O 3.45Å; I186-E188 PolarHBondContact O-N 2.89Å; I186-E188 VanDerWaalsContact O-N 3.12Å; I186-V190 HydrophobicContact CD1-CG2 4.4Å; I186-V190 HydrophobicContact CG2-CG2 4.01Å; I186-S209 PolarHBondContact O-OG 2.77Å
187H89.9Confident88.4Confident103 Ų10379.1 Ų79.148%0.47742%0.417SS..  trans-82.329.9177.1-61.3-68.2000114E185 P208 S209E185-H187 IonicContact OE2-CE1 2.91Å; E185-H187 IonicContact OE2-NE2 2.97Å; H187-P208 CarbonylContact O-C 3.59Å; H187-P208 WeakPolarHBondContact O-CA 3.45Å; H187-S209 WeakPolarHBondContact CA-OG 3.25Å; H187-S209 PolarHBondContact O-N 3.2Å; H187-S209 PolarHBondContact O-OG 2.91Å
188E93.3Very high88.2Confident92 Ų9285.7 Ų85.743%0.4345%0.447SS..BIsolated β-bridgetrans-144.1161.4177.863.3169.4-178.300112.6I186 V190 K207 S209I186-E188 HydrophobicContact CG2-CG 3.92Å; I186-E188 WeakPolarHBondContact CG2-O 3.45Å; I186-E188 PolarHBondContact O-N 2.89Å; I186-E188 VanDerWaalsContact O-N 3.12Å; E188-V190 PolarHBondContact O-N 2.94Å; E188-K207 CarbonylContact C-O 3.57Å; E188-K207 VanDerWaalsContact CA-O 3.27Å; E188-K207 WeakPolarHBondContact CA-O 3.25Å; E188-K207 HydrophobicContact CB-CG 4.42Å; E188-K207 WeakPolarHBondContact CB-O 3.21Å; E188-K207 IonicContact OE2-NZ 2.66Å; E188-K207 PolarHBondContact OE2-NZ 3.14Å; E188-S209 PolarHBondContact N-OG 3.46Å
189I93.8Very high88.3Confident0 Ų084.3 Ų84.30%044%0.444CS..  trans-72.6123.6169.9-52.5172.2000107.8M52 L54 M161 K207 F223 L225M52-I189 HydrophobicContact CE-CB 4.27Å; M52-I189 HydrophobicContact CE-CD1 3.55Å; M52-I189 HydrophobicContact CE-CG1 3.6Å; M52-I189 HydrophobicContact CE-CG2 3.7Å; L54-I189 HydrophobicContact CB-CG2 3.73Å; M161-I189 HydrophobicContact CE-CD1 4.29Å; I189-K207 HydrophobicContact CB-CB 4.06Å; I189-K207 HydrophobicContact CB-CG 4.4Å; I189-K207 HydrophobicContact CD1-CB 4.1Å; I189-K207 HydrophobicContact CG1-CB 4.22Å; I189-K207 PolarHBondContact N-O 3.05Å; I189-K207 WeakPolarHBondContact O-CD 3.28Å; I189-K207 WeakPolarHBondContact O-CE 3.16Å; I189-F223 HydrophobicContact CD1-CB 4Å; I189-F223 HydrophobicContact CG1-CB 4.03Å; I189-F223 HydrophobicContact CG1-CD1 3.73Å; I189-F223 HydrophobicContact CG1-CG 4.28Å; I189-L225 HydrophobicContact CD1-CB 4.44Å; I189-L225 HydrophobicContact CD1-CD1 4.31Å
190V93.6Very high88.3Confident52 Ų5285.1 Ų85.132%0.31546%0.464SS..EExtended strand (participates in β ladder)trans-74.7132.8177.6-177.80000108.7M52 T53 L54 I186 E188M52-V190 PolarHBondContact O-N 2.72Å; T53-V190 CarbonylContact C-O 3.55Å; T53-V190 WeakPolarHBondContact CA-O 3.16Å; T53-V190 HydrophobicContact CG2-CB 4.38Å; T53-V190 HydrophobicContact CG2-CG1 4.31Å; L54-V190 PolarHBondContact N-O 3.19Å; I186-V190 HydrophobicContact CD1-CG2 4.4Å; I186-V190 HydrophobicContact CG2-CG2 4.01Å; E188-V190 PolarHBondContact O-N 2.94Å
191I92.1Very high88.5Confident44 Ų4485 Ų8523%0.22646%0.461CS..EExtended strand (participates in β ladder)trans-117.2113.2173.2-61.5-179.9000107.3L54 K193 F196 I204 K207L54-I191 HydrophobicContact CB-CG1 4.34Å; L54-I191 HydrophobicContact CD2-CD1 4.48Å; I191-K193 PolarHBondContact O-N 3.33Å; I191-F196 HydrophobicContact CG2-CB 3.55Å; I191-F196 HydrophobicContact CG2-CD1 3.71Å; I191-F196 HydrophobicContact CG2-CD2 3.59Å; I191-F196 HydrophobicContact CG2-CE1 4.24Å; I191-F196 HydrophobicContact CG2-CE2 4.18Å; I191-F196 HydrophobicContact CG2-CG 3.33Å; I191-F196 HydrophobicContact CG2-CZ 4.47Å; I191-I204 HydrophobicContact CD1-CD1 4.21Å; I191-K207 HydrophobicContact CD1-CD 3.48Å; I191-K207 VanDerWaalsContact CD1-CD 3.48Å; I191-K207 HydrophobicContact CG1-CD 3.91Å
192D85.5Confident89.1Confident71 Ų7175.9 Ų75.938%0.3842%0.418SS..  trans-78.3110.5173.1-179.77000109.6T53 N194 A195 F196T53-D192 HydrophobicContact CG2-CB 4.39Å; D192-N194 PolarHBondContact O-N 2.7Å; D192-N194 VanDerWaalsContact O-N 3.09Å; D192-N194 WeakPolarHBondContact OD1-CB 3.05Å; D192-N194 PolarHBondContact OD1-N 3.34Å; D192-A195 HydrophobicContact CB-CB 4.44Å; D192-A195 PolarHBondContact O-N 3.41Å; D192-A195 VanDerWaalsContact O-N 3.16Å; D192-F196 WeakPolarHBondContact O-CB 3.07Å; D192-F196 PolarHBondContact O-N 2.62Å
193K84.6Confident89.5Confident189 Ų18970.4 Ų70.482%0.82239%0.393SS*.THydrogen-bonded Turntrans-58.8-23.4-179.7-64.9-178.5-178.9177.70113.4I191I191-K193 PolarHBondContact O-N 3.33Å
194N84.9Confident90.1Very high156 Ų15670.2 Ų70.283%0.83438%0.38SS*.THydrogen-bonded Turntrans-80.8-30.2-178.9-63-34.6000112.8D192D192-N194 PolarHBondContact O-N 2.7Å; D192-N194 VanDerWaalsContact O-N 3.09Å; D192-N194 WeakPolarHBondContact OD1-CB 3.05Å; D192-N194 PolarHBondContact OD1-N 3.34Å
195A81.8Confident90.3Very high48 Ų4872.8 Ų72.840%0.39738%0.381SS..THydrogen-bonded Turntrans-106-15.1-178.200000113D192 T197D192-A195 HydrophobicContact CB-CB 4.44Å; D192-A195 PolarHBondContact O-N 3.41Å; D192-A195 VanDerWaalsContact O-N 3.16Å; A195-T197 PolarHBondContact O-N 3.06Å
196F89.8Confident90.6Very high45 Ų4570.1 Ų70.120%0.19737%0.368CS..  trans-75.4126.2-174.4-178.1-111.8000112.5L54 S55 I191 D192 E198 I204L54-F196 HydrophobicContact CD2-CE2 4.04Å; L54-F196 HydrophobicContact CG-CE2 4.29Å; S55-F196 WeakPolarHBondContact O-CA 3.29Å; S55-F196 VanDerWaalsContact O-CD2 3.28Å; S55-F196 WeakPolarHBondContact O-CD2 3.15Å; I191-F196 HydrophobicContact CG2-CB 3.55Å; I191-F196 HydrophobicContact CG2-CD1 3.71Å; I191-F196 HydrophobicContact CG2-CD2 3.59Å; I191-F196 HydrophobicContact CG2-CE1 4.24Å; I191-F196 HydrophobicContact CG2-CE2 4.18Å; I191-F196 HydrophobicContact CG2-CG 3.33Å; I191-F196 HydrophobicContact CG2-CZ 4.47Å; D192-F196 WeakPolarHBondContact O-CB 3.07Å; D192-F196 PolarHBondContact O-N 2.62Å; F196-E198 HydrophobicContact CD1-CG 4.1Å; F196-E198 HydrophobicContact CE1-CB 4.35Å; F196-E198 HydrophobicContact CE1-CG 3.47Å; F196-E198 VanDerWaalsContact CE1-CG 3.47Å; F196-E198 HydrophobicContact CZ-CG 4.32Å; F196-I204 HydrophobicContact CE2-CD1 4.13Å; F196-I204 HydrophobicContact CZ-CD1 3.77Å
197T88.6Confident90.9Very high79 Ų7971.1 Ų71.149%0.48537%0.371SS..BIsolated β-bridgetrans-107.4117170.9-55.90000109.4S55 A195S55-T197 PolarHBondContact O-N 3.13Å; A195-T197 PolarHBondContact O-N 3.06Å
198E88.8Confident91.2Very high146 Ų14667 Ų6768%0.68235%0.354SS*.  trans-64.4142.3175.8-80.9-175.8-162.300111.9F196F196-E198 HydrophobicContact CD1-CG 4.1Å; F196-E198 HydrophobicContact CE1-CB 4.35Å; F196-E198 HydrophobicContact CE1-CG 3.47Å; F196-E198 VanDerWaalsContact CE1-CG 3.47Å; F196-E198 HydrophobicContact CZ-CG 4.32Å
199N92.3Very high91.2Very high27 Ų2762.9 Ų62.914%0.14434%0.335CS..  trans-77139.8174.1-164.2-35.9000110.4L57 I58 E201 W202 K230L57-N199 PolarHBondContact O-ND2 3.43Å; I58-N199 PolarHBondContact O-ND2 3.27Å; N199-E201 VanDerWaalsContact C-N 3.28Å; N199-E201 PolarHBondContact O-N 3.39Å; N199-E201 PolarHBondContact OD1-N 3.35Å; N199-W202 HydrophobicContact CB-CB 4.34Å; N199-K230 PolarHBondContact O-NZ 3.45Å
200G90.8Very high91.2Very high67 Ų6769.5 Ų69.569%0.69136%0.36SS*.SBendtrans-69.7-24.2176.800000113.6K230G200-K230 WeakPolarHBondContact O-CD 3.29Å
201E91.8Very high91.2Very high68 Ų6869.8 Ų69.832%0.31836%0.357SS..SBendtrans-104.3-31-176.9-176.1168.8-164.800113.6N199 R229 K230N199-E201 VanDerWaalsContact C-N 3.28Å; N199-E201 PolarHBondContact O-N 3.39Å; N199-E201 PolarHBondContact OD1-N 3.35Å; E201-R229 HydrophobicContact CG-CG 4.29Å; E201-R229 IonicContact OE1-CZ 2.7Å; E201-R229 IonicContact OE1-NH1 3.56Å; E201-R229 PolarHBondContact OE1-NH1 2.78Å; E201-K230 WeakPolarHBondContact O-CB 3.32Å; E201-K230 PolarHBondContact O-N 2.79Å
202W94.4Very high91.2Very high4 Ų469.6 Ų69.62%0.01536%0.356CS..EExtended strand (participates in β ladder)trans-119.3136-172.4-64.698.2000111.9L57 L60 Q157 N199 I227 R229L57-W202 HydrophobicContact CD2-CB 3.82Å; L57-W202 HydrophobicContact CD2-CG 4.4Å; L60-W202 HydrophobicContact CB-CZ2 3.97Å; L60-W202 HydrophobicContact CD2-CH2 3.73Å; L60-W202 HydrophobicContact CD2-CZ2 3.57Å; L60-W202 HydrophobicContact CG-CZ2 4.33Å; Q157-W202 HydrophobicContact CG-CH2 3.75Å; Q157-W202 HydrophobicContact CG-CZ3 3.92Å; N199-W202 HydrophobicContact CB-CB 4.34Å; W202-I227 HydrophobicContact CB-CB 4.49Å; W202-I227 HydrophobicContact CB-CG2 4.42Å; W202-I227 HydrophobicContact CD2-CD1 3.98Å; W202-I227 HydrophobicContact CE3-CB 3.94Å; W202-I227 HydrophobicContact CE3-CD1 3.82Å; W202-I227 HydrophobicContact CE3-CG1 4.04Å; W202-I227 HydrophobicContact CG-CD1 4.37Å; W202-I227 HydrophobicContact CZ3-CD1 4.23Å; W202-I227 HydrophobicContact CZ3-CG1 4.36Å; W202-R229 HydrophobicContact CE3-CB 4.04Å; W202-R229 HydrophobicContact CH2-CB 4.18Å; W202-R229 HydrophobicContact CH2-CG 4.49Å; W202-R229 HydrophobicContact CZ3-CB 3.73Å; W202-R229 HydrophobicContact CZ3-CG 4.41Å
203A93.9Very high91.4Very high25 Ų2571.1 Ų71.121%0.20737%0.368CS..EExtended strand (participates in β ladder)trans-108.4127.3172.100000109.9R205 I227 E228A203-R205 PolarHBondContact O-N 2.88Å; A203-I227 CarbonylContact O-C 3.37Å; A203-I227 VanDerWaalsContact O-CA 3.28Å; A203-I227 WeakPolarHBondContact O-CA 3.25Å; A203-E228 PolarHBondContact N-O 2.98Å; A203-E228 PolarHBondContact O-N 2.88Å
204I94.4Very high91.4Very high43 Ų4363.6 Ų63.622%0.22135%0.345CS..EExtended strand (participates in β ladder)trans-80.2120.4177-55.2174.8000108.3L54 I191 F196 K207 L225 I227L54-I204 HydrophobicContact CD2-CD1 3.51Å; I191-I204 HydrophobicContact CD1-CD1 4.21Å; F196-I204 HydrophobicContact CE2-CD1 4.13Å; F196-I204 HydrophobicContact CZ-CD1 3.77Å; I204-K207 HydrophobicContact CG2-CB 4.33Å; I204-L225 HydrophobicContact CG1-CD2 4.49Å; I204-I227 HydrophobicContact CB-CG2 4.35Å; I204-I227 HydrophobicContact CG1-CG2 3.85Å
205R93.8Very high91.1Very high135 Ų13564.4 Ų64.451%0.50935%0.349SS..EExtended strand (participates in β ladder)trans-96.5-54177.4-66.5-56.7-170176.74.3111.7A203 I226 E228 T481A203-R205 PolarHBondContact O-N 2.88Å; R205-I226 PolarHBondContact N-O 3.09Å; R205-E228 HydrophobicContact CG-CB 4.02Å; R205-E228 IonicContact CZ-OE2 2.8Å; R205-E228 IonicContact NE-OE2 2.69Å; R205-E228 PolarHBondContact NE-OE2 2.75Å; R205-E228 IonicContact NH2-OE1 2.76Å; R205-E228 IonicContact NH2-OE2 3.45Å; R205-E228 PolarHBondContact NH2-OE2 2.92Å; R205-T481 HydrophobicContact CB-CG2 4.42Å; R205-T481 HydrophobicContact CG-CG2 4Å
206H94.9Very high91.1Very high45 Ų4569.2 Ų69.221%0.20837%0.368CS..EExtended strand (participates in β ladder)trans-128148.2178.7-56.4-70.9000110.8I226 P482 D483 P485H206-I226 HydrophobicContact CB-CB 4.03Å; H206-I226 HydrophobicContact CB-CD1 4.01Å; H206-I226 HydrophobicContact CB-CG1 4.37Å; H206-I226 PolarHBondContact N-O 2.82Å; H206-I226 PolarHBondContact O-N 3.5Å; H206-P482 PolarHBondContact NE2-O 3.12Å; H206-D483 PolarHBondContact CE1-O 3.37Å; H206-D483 PolarHBondContact NE2-O 3.02Å; H206-P485 HydrophobicContact CB-CB 4.02Å
207K95.3Very high90.9Very high54 Ų5471.1 Ų71.124%0.23538%0.38CS..  trans-141.946.6-175.565.1-169.8-168.1-46.90113.9E188 I189 I191 I204 Y224E188-K207 CarbonylContact C-O 3.57Å; E188-K207 VanDerWaalsContact CA-O 3.27Å; E188-K207 WeakPolarHBondContact CA-O 3.25Å; E188-K207 HydrophobicContact CB-CG 4.42Å; E188-K207 WeakPolarHBondContact CB-O 3.21Å; E188-K207 IonicContact OE2-NZ 2.66Å; E188-K207 PolarHBondContact OE2-NZ 3.14Å; I189-K207 HydrophobicContact CB-CB 4.06Å; I189-K207 HydrophobicContact CB-CG 4.4Å; I189-K207 HydrophobicContact CD1-CB 4.1Å; I189-K207 HydrophobicContact CG1-CB 4.22Å; I189-K207 PolarHBondContact N-O 3.05Å; I189-K207 WeakPolarHBondContact O-CD 3.28Å; I189-K207 WeakPolarHBondContact O-CE 3.16Å; I191-K207 HydrophobicContact CD1-CD 3.48Å; I191-K207 VanDerWaalsContact CD1-CD 3.48Å; I191-K207 HydrophobicContact CG1-CD 3.91Å; I204-K207 HydrophobicContact CG2-CB 4.33Å; K207-Y224 CarbonylContact C-O 3.56Å; K207-Y224 VanDerWaalsContact CA-O 3.29Å; K207-Y224 WeakPolarHBondContact CA-O 3.21Å
208P96.1Very high90.7Very high17 Ų1771.4 Ų71.411%0.1137%0.372CS..BIsolated β-bridgetrans-75.7159.5-173.334-35.9000112.4H187 Y224 P485 F486H187-P208 CarbonylContact O-C 3.59Å; H187-P208 WeakPolarHBondContact O-CA 3.45Å; P208-Y224 WeakPolarHBondContact CD-O 3.24Å; P208-Y224 PolarHBondContact O-N 2.05Å; P208-P485 HydrophobicContact CG-CB 3.93Å; P208-P485 HydrophobicContact CG-CG 4.07Å; P208-F486 HydrophobicContact CB-CE2 3.72Å; P208-F486 HydrophobicContact CB-CZ 4.17Å; P208-F486 HydrophobicContact CG-CE2 3.56Å; P208-F486 HydrophobicContact CG-CZ 3.65Å
209S95.1Very high90.9Very high6 Ų665.4 Ų65.44%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-124.4142170.276.10000110.2I186 H187 E188 T222 F223I186-S209 PolarHBondContact O-OG 2.77Å; H187-S209 WeakPolarHBondContact CA-OG 3.25Å; H187-S209 PolarHBondContact O-N 3.2Å; H187-S209 PolarHBondContact O-OG 2.91Å; E188-S209 PolarHBondContact N-OG 3.46Å; S209-T222 WeakPolarHBondContact CA-O 3.34Å; S209-F223 VanDerWaalsContact CB-CE1 3.48Å
210R93.1Very high91Very high139 Ų13964.4 Ų64.453%0.52534%0.339SS..EExtended strand (participates in β ladder)trans-141.7138.9180-170.6177.6178.3-179.8-0.5110.6T222 Y224R210-T222 PolarHBondContact N-O 3.44Å; R210-T222 PolarHBondContact O-N 3.37Å; R210-Y224 HydrophobicContact CB-CE2 4.49Å
211K93.6Very high91.2Very high57 Ų5761.3 Ų61.325%0.24831%0.307CS..EExtended strand (participates in β ladder)trans-81.2121.3163.3-178-178.9-177.3166.60108.2D174 L175 V213 E219 D220D174-K211 IonicContact OD1-NZ 3.35Å; D174-K211 PolarHBondContact OD1-NZ 2.92Å; L175-K211 VanDerWaalsContact O-CD 3.23Å; L175-K211 WeakPolarHBondContact O-CD 3.37Å; L175-K211 WeakPolarHBondContact O-CE 3.28Å; L175-K211 PolarHBondContact O-NZ 3.06Å; K211-V213 HydrophobicContact CD-CG2 4.23Å; K211-V213 HydrophobicContact CG-CG2 4.17Å; K211-E219 VanDerWaalsContact CE-OE2 3.28Å; K211-E219 WeakPolarHBondContact CE-OE2 3.44Å; K211-E219 VanDerWaalsContact NZ-CD 3.34Å; K211-E219 IonicContact NZ-OE1 3.01Å; K211-E219 IonicContact NZ-OE2 3.71Å; K211-E219 PolarHBondContact NZ-OE2 3.39Å; K211-D220 WeakPolarHBondContact CA-O 3.41Å
212N91.6Very high91.4Very high40 Ų4058.2 Ų58.221%0.21429%0.293CS..EExtended strand (participates in β ladder)trans-101.9139.5170-50.1-51.6000108.7D220 T222N212-D220 VanDerWaalsContact CB-OD1 3.3Å; N212-D220 WeakPolarHBondContact CB-OD1 3.49Å; N212-D220 PolarHBondContact N-O 2.95Å; N212-D220 PolarHBondContact ND2-OD2 2.82Å; N212-D220 VanDerWaalsContact ND2-OD2 3.12Å; N212-D220 PolarHBondContact O-N 3.03Å; N212-T222 PolarHBondContact ND2-OG1 2.93Å
213V90.3Very high91.5Very high103 Ų10358.1 Ų58.162%0.62429%0.292SS*.EExtended strand (participates in β ladder)trans-126.6120.9180-175.30000107.1K211 Y218 E219K211-V213 HydrophobicContact CD-CG2 4.23Å; K211-V213 HydrophobicContact CG-CG2 4.17Å; V213-Y218 WeakPolarHBondContact CA-O 3.49Å; V213-E219 HydrophobicContact CG1-CG 4.41Å; V213-E219 HydrophobicContact CG2-CG 4.39Å
214G84.8Confident91.6Very high32 Ų3259.1 Ų59.133%0.3329%0.291SS..  trans-108.7174.3179.200000113.2D216 Y218G214-D216 PolarHBondContact O-N 3.17Å; G214-Y218 PolarHBondContact N-O 3.3Å
215D78.8Confident91.7Very high173 Ų17357.1 Ų57.193%0.92528%0.281SS*.SBendtrans-72.7-20.5-170.3-68.9-34.2000114.6
216D82Confident91.8Very high148 Ų14850.8 Ų50.879%0.79126%0.257SS*.SBendtrans-105.446.6-175.5-71.5-29.3000113.7G214 Y218G214-D216 PolarHBondContact O-N 3.17Å; D216-Y218 PolarHBondContact O-N 3.32Å
217L83.9Confident91.8Very high86 Ų8648.7 Ų48.745%0.4525%0.247SC..SBendtrans5424.4-173.1-61.1170.4000112.8D169 A170 E219D169-L217 HydrophobicContact CB-CB 4.32Å; A170-L217 HydrophobicContact CB-CB 4.03Å; A170-L217 HydrophobicContact CB-CD2 4.2Å; A170-L217 VanDerWaalsContact CB-O 3.27Å; A170-L217 WeakPolarHBondContact CB-O 3.3Å; A170-L217 PolarHBondContact N-O 3.11Å; L217-E219 PolarHBondContact O-N 2.75Å
218Y85.8Confident91.7Very high84 Ų8448 Ų4833%0.32925%0.245SC..  trans-80.6114.4179-171.3-82.5000108.3V213 G214 D216 D220V213-Y218 WeakPolarHBondContact CA-O 3.49Å; G214-Y218 PolarHBondContact N-O 3.3Å; D216-Y218 PolarHBondContact O-N 3.32Å; Y218-D220 HydrophobicContact CE1-CB 4.03Å; Y218-D220 WeakPolarHBondContact CE1-OD1 3.27Å
219E92.5Very high91.6Very high21 Ų2147.5 Ų47.510%0.09824%0.241CC..EExtended strand (participates in β ladder)trans-128.1128.2172.1-74.7-173.8-171.100109.4R164 A170 L175 K211 V213 L217R164-E219 WeakPolarHBondContact CD-O 3.38Å; R164-E219 VanDerWaalsContact CG-O 3.27Å; R164-E219 WeakPolarHBondContact CG-O 3.15Å; A170-E219 HydrophobicContact CB-CB 4.32Å; A170-E219 VanDerWaalsContact CB-CD 3.45Å; A170-E219 HydrophobicContact CB-CG 3.65Å; A170-E219 WeakPolarHBondContact CB-OE1 3.31Å; L175-E219 PolarHBondContact N-OE2 2.93Å; K211-E219 VanDerWaalsContact CE-OE2 3.28Å; K211-E219 WeakPolarHBondContact CE-OE2 3.44Å; K211-E219 VanDerWaalsContact NZ-CD 3.34Å; K211-E219 IonicContact NZ-OE1 3.01Å; K211-E219 IonicContact NZ-OE2 3.71Å; K211-E219 PolarHBondContact NZ-OE2 3.39Å; V213-E219 HydrophobicContact CG1-CG 4.41Å; V213-E219 HydrophobicContact CG2-CG 4.39Å; L217-E219 PolarHBondContact O-N 2.75Å
220D94.4Very high91.6Very high6 Ų651 Ų513%0.03226%0.255CS..EExtended strand (participates in β ladder)trans-138.2156.117467.3-66.2000110.2V162 F163 R164 K211 N212 Y218 T222V162-D220 HydrophobicContact CG1-CB 3.94Å; F163-D220 WeakPolarHBondContact O-CA 3.36Å; R164-D220 HydrophobicContact CB-CB 4.17Å; K211-D220 WeakPolarHBondContact CA-O 3.41Å; N212-D220 VanDerWaalsContact CB-OD1 3.3Å; N212-D220 WeakPolarHBondContact CB-OD1 3.49Å; N212-D220 PolarHBondContact N-O 2.95Å; N212-D220 PolarHBondContact ND2-OD2 2.82Å; N212-D220 VanDerWaalsContact ND2-OD2 3.12Å; N212-D220 PolarHBondContact O-N 3.03Å; Y218-D220 HydrophobicContact CE1-CB 4.03Å; Y218-D220 WeakPolarHBondContact CE1-OD1 3.27Å; D220-T222 PolarHBondContact OD2-OG1 2.98Å
221I95.6Very high91.5Very high1 Ų145.7 Ų45.71%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-112.1112.5168-66.3172.6000106.5V50 F163 L175 Q176 F223V50-I221 HydrophobicContact CB-CD1 3.67Å; V50-I221 HydrophobicContact CG2-CD1 3.89Å; F163-I221 PolarHBondContact N-O 2.97Å; F163-I221 PolarHBondContact O-N 3.16Å; L175-I221 HydrophobicContact CB-CD1 3.83Å; L175-I221 HydrophobicContact CB-CG1 4.15Å; Q176-I221 VanDerWaalsContact O-CD1 3.29Å; Q176-I221 WeakPolarHBondContact O-CD1 3.45Å; I221-F223 HydrophobicContact CG2-CD2 4.39Å; I221-F223 HydrophobicContact CG2-CE2 3.75Å; I221-F223 HydrophobicContact CG2-CZ 3.82Å
222T95.8Very high91.4Very high4 Ų448.8 Ų48.83%0.02526%0.257CS..EExtended strand (participates in β ladder)trans-100.9127.4177.9-65.80000109.8M161 V162 S209 R210 N212 D220 Y224M161-T222 WeakPolarHBondContact O-CA 3.34Å; V162-T222 HydrophobicContact CG2-CG2 4.14Å; S209-T222 WeakPolarHBondContact CA-O 3.34Å; R210-T222 PolarHBondContact N-O 3.44Å; R210-T222 PolarHBondContact O-N 3.37Å; N212-T222 PolarHBondContact ND2-OG1 2.93Å; D220-T222 PolarHBondContact OD2-OG1 2.98Å; T222-Y224 HydrophobicContact CG2-CD1 4.28Å; T222-Y224 HydrophobicContact CG2-CD2 3.95Å; T222-Y224 HydrophobicContact CG2-CE1 3.83Å; T222-Y224 HydrophobicContact CG2-CE2 3.48Å; T222-Y224 VanDerWaalsContact CG2-CE2 3.48Å; T222-Y224 HydrophobicContact CG2-CG 4.33Å; T222-Y224 VanDerWaalsContact CG2-CZ 3.41Å
223F96.6Very high91.4Very high2 Ų252.5 Ų52.51%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-100.3123.4169-62.7-85.7000108.9V50 M52 S160 M161 F163 I189 S209 I221V50-F223 HydrophobicContact CG1-CE2 4.33Å; V50-F223 HydrophobicContact CG1-CZ 4.43Å; M52-F223 HydrophobicContact CB-CD1 4.2Å; M52-F223 HydrophobicContact CB-CD2 4.43Å; M52-F223 HydrophobicContact CB-CE1 3.83Å; M52-F223 HydrophobicContact CB-CE2 4.08Å; M52-F223 HydrophobicContact CB-CG 4.49Å; M52-F223 HydrophobicContact CB-CZ 3.77Å; M52-F223 HydrophobicContact CE-CB 3.52Å; M52-F223 HydrophobicContact CE-CD1 3.85Å; M52-F223 HydrophobicContact CE-CD2 3.99Å; M52-F223 HydrophobicContact CE-CG 3.51Å; M52-F223 HydrophobicContact SD-CD2 4.26Å; M52-F223 HydrophobicContact SD-CG 4.37Å; S160-F223 CarbonylContact C-O 3.53Å; S160-F223 WeakPolarHBondContact CA-O 3.05Å; M161-F223 HydrophobicContact CE-CB 4.36Å; M161-F223 PolarHBondContact N-O 3.49Å; M161-F223 PolarHBondContact O-N 2.93Å; F163-F223 AromaticContact CD2-CD2 3.56Å; F163-F223 HydrophobicContact CD2-CD2 3.56Å; F163-F223 AromaticContact CD2-CE2 3.71Å; F163-F223 HydrophobicContact CD2-CE2 3.71Å; F163-F223 AromaticContact CE2-CD2 3.72Å; F163-F223 HydrophobicContact CE2-CD2 3.72Å; F163-F223 HydrophobicContact CE2-CE2 4.06Å; I189-F223 HydrophobicContact CD1-CB 4Å; I189-F223 HydrophobicContact CG1-CB 4.03Å; I189-F223 HydrophobicContact CG1-CD1 3.73Å; I189-F223 HydrophobicContact CG1-CG 4.28Å; S209-F223 VanDerWaalsContact CB-CE1 3.48Å; I221-F223 HydrophobicContact CG2-CD2 4.39Å; I221-F223 HydrophobicContact CG2-CE2 3.75Å; I221-F223 HydrophobicContact CG2-CZ 3.82Å
224Y96.1Very high91.3Very high46 Ų4648.4 Ų48.418%0.1825%0.245CC..EExtended strand (participates in β ladder)trans-101.3141.2176.4-59.9-92.8000109.6K207 P208 R210 T222 F486K207-Y224 CarbonylContact C-O 3.56Å; K207-Y224 VanDerWaalsContact CA-O 3.29Å; K207-Y224 WeakPolarHBondContact CA-O 3.21Å; P208-Y224 WeakPolarHBondContact CD-O 3.24Å; P208-Y224 PolarHBondContact O-N 2.05Å; R210-Y224 HydrophobicContact CB-CE2 4.49Å; T222-Y224 HydrophobicContact CG2-CD1 4.28Å; T222-Y224 HydrophobicContact CG2-CD2 3.95Å; T222-Y224 HydrophobicContact CG2-CE1 3.83Å; T222-Y224 HydrophobicContact CG2-CE2 3.48Å; T222-Y224 VanDerWaalsContact CG2-CE2 3.48Å; T222-Y224 HydrophobicContact CG2-CG 4.33Å; T222-Y224 VanDerWaalsContact CG2-CZ 3.41Å; Y224-F486 AromaticContact CD2-CE1 3.99Å; Y224-F486 HydrophobicContact CD2-CE1 3.99Å; Y224-F486 AromaticContact CD2-CZ 3.58Å; Y224-F486 HydrophobicContact CD2-CZ 3.58Å; Y224-F486 AromaticContact CE2-CE1 3.92Å; Y224-F486 HydrophobicContact CE2-CE1 3.92Å; Y224-F486 AromaticContact CE2-CZ 3.79Å; Y224-F486 HydrophobicContact CE2-CZ 3.79Å; Y224-F486 HydrophobicContact CG-CE1 4.32Å; Y224-F486 HydrophobicContact CG-CZ 4.16Å
225L95.8Very high91.6Very high0 Ų049.5 Ų49.50%024%0.243CC..EExtended strand (participates in β ladder)trans-130.8100.4179.7-163.6149.5000106.8L54 L57 M67 C159 M161 I189 I204 I227L54-L225 HydrophobicContact CD2-CD1 3.95Å; L57-L225 HydrophobicContact CD2-CD2 4.38Å; M67-L225 HydrophobicContact SD-CD2 4.3Å; C159-L225 PolarHBondContact N-O 3.5Å; C159-L225 PolarHBondContact O-N 2.92Å; M161-L225 HydrophobicContact CE-CD1 4.33Å; I189-L225 HydrophobicContact CD1-CB 4.44Å; I189-L225 HydrophobicContact CD1-CD1 4.31Å; I204-L225 HydrophobicContact CG1-CD2 4.49Å; L225-I227 HydrophobicContact CD2-CB 4.15Å; L225-I227 HydrophobicContact CD2-CD1 4.22Å; L225-I227 HydrophobicContact CD2-CG1 4.05Å; L225-I227 HydrophobicContact CD2-CG2 3.2Å; L225-I227 HydrophobicContact CG-CG2 4.48Å
226I95.7Very high92.3Very high3 Ų345.9 Ų45.92%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-92.1113176.9-61.6170.9000107.4W156 Q157 N158 R205 H206 T481 P485W156-I226 HydrophobicContact CE3-CG2 4.29Å; Q157-I226 WeakPolarHBondContact O-CA 3.37Å; N158-I226 HydrophobicContact CB-CG1 4.35Å; R205-I226 PolarHBondContact N-O 3.09Å; H206-I226 HydrophobicContact CB-CB 4.03Å; H206-I226 HydrophobicContact CB-CD1 4.01Å; H206-I226 HydrophobicContact CB-CG1 4.37Å; H206-I226 PolarHBondContact N-O 2.82Å; H206-I226 PolarHBondContact O-N 3.5Å; I226-T481 HydrophobicContact CG2-CG2 4.18Å; I226-P485 HydrophobicContact CD1-CB 3.6Å
227I95.1Very high92.5Very high0 Ų042.7 Ų42.70%021%0.206CC..EExtended strand (participates in β ladder)trans-118.2140.8-175.938.5172.3000111L57 L60 W156 Q157 W202 A203 I204 L225L57-I227 HydrophobicContact CD2-CD1 4.31Å; L57-I227 HydrophobicContact CD2-CG2 3.91Å; L60-I227 HydrophobicContact CD2-CD1 4.16Å; W156-I227 CarbonylContact C-O 3.54Å; W156-I227 WeakPolarHBondContact CA-O 3.13Å; W156-I227 WeakPolarHBondContact CB-O 3.35Å; Q157-I227 HydrophobicContact CB-CD1 4.46Å; Q157-I227 HydrophobicContact CB-CG1 4.12Å; Q157-I227 PolarHBondContact N-O 3.26Å; Q157-I227 PolarHBondContact O-N 3.02Å; W202-I227 HydrophobicContact CB-CB 4.49Å; W202-I227 HydrophobicContact CB-CG2 4.42Å; W202-I227 HydrophobicContact CD2-CD1 3.98Å; W202-I227 HydrophobicContact CE3-CB 3.94Å; W202-I227 HydrophobicContact CE3-CD1 3.82Å; W202-I227 HydrophobicContact CE3-CG1 4.04Å; W202-I227 HydrophobicContact CG-CD1 4.37Å; W202-I227 HydrophobicContact CZ3-CD1 4.23Å; W202-I227 HydrophobicContact CZ3-CG1 4.36Å; A203-I227 CarbonylContact O-C 3.37Å; A203-I227 VanDerWaalsContact O-CA 3.28Å; A203-I227 WeakPolarHBondContact O-CA 3.25Å; I204-I227 HydrophobicContact CB-CG2 4.35Å; I204-I227 HydrophobicContact CG1-CG2 3.85Å; L225-I227 HydrophobicContact CD2-CB 4.15Å; L225-I227 HydrophobicContact CD2-CD1 4.22Å; L225-I227 HydrophobicContact CD2-CG1 4.05Å; L225-I227 HydrophobicContact CD2-CG2 3.2Å; L225-I227 HydrophobicContact CG-CG2 4.48Å
228E94.1Very high92.7Very high41 Ų4139.7 Ų39.719%0.19219%0.19CC..EExtended strand (participates in β ladder)trans-110135.3174.7-171.6-174.2155.700109.4A203 R205 T481A203-E228 PolarHBondContact N-O 2.98Å; A203-E228 PolarHBondContact O-N 2.88Å; R205-E228 HydrophobicContact CG-CB 4.02Å; R205-E228 IonicContact CZ-OE2 2.8Å; R205-E228 IonicContact NE-OE2 2.69Å; R205-E228 PolarHBondContact NE-OE2 2.75Å; R205-E228 IonicContact NH2-OE1 2.76Å; R205-E228 IonicContact NH2-OE2 3.45Å; R205-E228 PolarHBondContact NH2-OE2 2.92Å; E228-T481 HydrophobicContact CB-CG2 4.21Å
229R94.1Very high92.9Very high5 Ų536.1 Ų36.12%0.01918%0.176CC..EExtended strand (participates in β ladder)trans-74.2145.1177.8-166.9-177.5-57.9-91.9-1111.1E62 P153 D155 E201 W202 P231E62-R229 IonicContact OE1-CZ 2.9Å; E62-R229 IonicContact OE1-NH1 3.83Å; E62-R229 PolarHBondContact OE1-NH1 2.77Å; E62-R229 IonicContact OE1-NH2 3.8Å; E62-R229 PolarHBondContact OE1-NH2 3.43Å; P153-R229 WeakPolarHBondContact O-CD 3.3Å; D155-R229 PolarHBondContact O-N 2.81Å; D155-R229 IonicContact OD1-CZ 2.63Å; D155-R229 IonicContact OD1-NE 3.01Å; D155-R229 PolarHBondContact OD1-NE 2.9Å; D155-R229 IonicContact OD1-NH2 3.41Å; D155-R229 IonicContact OD2-CZ 3.72Å; D155-R229 IonicContact OD2-NE 3.85Å; D155-R229 PolarHBondContact OD2-NE 3.11Å; D155-R229 IonicContact OD2-NH2 3.56Å; D155-R229 PolarHBondContact OD2-NH2 3.01Å; E201-R229 HydrophobicContact CG-CG 4.29Å; E201-R229 IonicContact OE1-CZ 2.7Å; E201-R229 IonicContact OE1-NH1 3.56Å; E201-R229 PolarHBondContact OE1-NH1 2.78Å; W202-R229 HydrophobicContact CE3-CB 4.04Å; W202-R229 HydrophobicContact CH2-CB 4.18Å; W202-R229 HydrophobicContact CH2-CG 4.49Å; W202-R229 HydrophobicContact CZ3-CB 3.73Å; W202-R229 HydrophobicContact CZ3-CG 4.41Å; R229-P231 VanDerWaalsContact O-CD 3.24Å; R229-P231 WeakPolarHBondContact O-CD 3.38Å
230K93.6Very high92.8Very high79 Ų7938.2 Ų38.234%0.34319%0.191SC..  trans-91.399.5167-64.3171.1-179.9171.50108.8N199 G200 E201 L232N199-K230 PolarHBondContact O-NZ 3.45Å; G200-K230 WeakPolarHBondContact O-CD 3.29Å; E201-K230 WeakPolarHBondContact O-CB 3.32Å; E201-K230 PolarHBondContact O-N 2.79Å; K230-L232 PolarHBondContact O-N 2.79Å; K230-L232 VanDerWaalsContact O-N 3.11Å
231P92.1Very high92.6Very high29 Ų2939.3 Ų39.319%0.18820%0.198CC..THydrogen-bonded Turntrans-77.21.3-166.631.4-38.5000115.2P153 F154 R229 F233 Y234 I235P153-P231 HydrophobicContact CB-CB 4.44Å; P153-P231 HydrophobicContact CG-CB 4.35Å; F154-P231 HydrophobicContact CD1-CB 3.95Å; F154-P231 HydrophobicContact CD1-CG 3.79Å; F154-P231 HydrophobicContact CE1-CB 3.82Å; F154-P231 HydrophobicContact CE1-CG 3.7Å; F154-P231 HydrophobicContact CZ-CB 4.44Å; R229-P231 VanDerWaalsContact O-CD 3.24Å; R229-P231 WeakPolarHBondContact O-CD 3.38Å; P231-F233 VanDerWaalsContact C-N 3.28Å; P231-F233 PolarHBondContact O-N 2.8Å; P231-F233 VanDerWaalsContact O-N 3.15Å; P231-Y234 PolarHBondContact O-N 2.69Å; P231-I235 HydrophobicContact CB-CD1 4.1Å; P231-I235 HydrophobicContact CB-CG1 4.35Å; P231-I235 HydrophobicContact CG-CD1 3.95Å; P231-I235 WeakPolarHBondContact O-CG1 3.4Å; P231-I235 PolarHBondContact O-N 2.81Å
232L91.1Very high92.3Very high121 Ų12139.2 Ų39.263%0.63420%0.197SC*.Hα-helixtrans-54.2-41.4-168.1-167.583.2000113.3K230 Y234 I235 I236K230-L232 PolarHBondContact O-N 2.79Å; K230-L232 VanDerWaalsContact O-N 3.11Å; L232-Y234 PolarHBondContact O-N 2.97Å; L232-I235 PolarHBondContact O-N 2.89Å; L232-I236 HydrophobicContact CD1-CD1 4.5Å; L232-I236 HydrophobicContact CD2-CD1 4.4Å; L232-I236 HydrophobicContact CG-CD1 4.04Å; L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 3.3Å; L232-I236 VanDerWaalsContact O-N 3.08Å
233F90.6Very high92Very high119 Ų11942.3 Ų42.352%0.52221%0.213SC..Hα-helixtrans-60.2-45.4178.9176.9-93.7000112P231 N237P231-F233 VanDerWaalsContact C-N 3.28Å; P231-F233 PolarHBondContact O-N 2.8Å; P231-F233 VanDerWaalsContact O-N 3.15Å; F233-N237 WeakPolarHBondContact CD2-ND2 3.31Å; F233-N237 WeakPolarHBondContact CE2-ND2 3.49Å; F233-N237 WeakPolarHBondContact CZ-ND2 3.44Å; F233-N237 WeakPolarHBondContact O-CB 3.25Å; F233-N237 PolarHBondContact O-N 2.91Å; F233-N237 PolarHBondContact O-ND2 2.84Å
234Y89.9Confident91.8Very high17 Ų1747.2 Ų47.27%0.06724%0.239CC..Hα-helixtrans-71.5-34.1179.3-62.5-85.6000111.9F152 P153 P231 L232 I238 I239F152-Y234 HydrophobicContact CE1-CD1 4.23Å; F152-Y234 AromaticContact CE1-CE1 3.9Å; F152-Y234 HydrophobicContact CE1-CE1 3.9Å; F152-Y234 HydrophobicContact CE2-CE1 4.48Å; F152-Y234 HydrophobicContact CZ-CD1 4.19Å; F152-Y234 AromaticContact CZ-CE1 3.46Å; F152-Y234 HydrophobicContact CZ-CE1 3.46Å; F152-Y234 VanDerWaalsContact CZ-CE1 3.46Å; F152-Y234 HydrophobicContact CZ-CE2 4.38Å; F152-Y234 AromaticContact CZ-CZ 3.57Å; P153-Y234 HydrophobicContact CB-CD1 4.31Å; P153-Y234 HydrophobicContact CB-CD2 3.63Å; P153-Y234 HydrophobicContact CB-CE2 4.25Å; P153-Y234 HydrophobicContact CB-CG 3.66Å; P153-Y234 HydrophobicContact CG-CD2 4.4Å; P153-Y234 HydrophobicContact CG-CG 4.04Å; P231-Y234 PolarHBondContact O-N 2.69Å; L232-Y234 PolarHBondContact O-N 2.97Å; Y234-I238 HydrophobicContact CD1-CD1 3.81Å; Y234-I238 WeakPolarHBondContact O-CA 3.04Å; Y234-I238 WeakPolarHBondContact O-CB 3.3Å; Y234-I238 PolarHBondContact O-N 2.89Å; Y234-I239 PolarHBondContact O-N 3.34Å; Y234-I239 VanDerWaalsContact O-N 3.09Å
235I90.7Very high91.4Very high55 Ų5545.5 Ų45.528%0.28223%0.233SC..Iπ-helixtrans-60.4-51.9175.3-67.8169.8000110.5F154 P231 L232 I239 V240F154-I235 HydrophobicContact CE1-CD1 4.1Å; F154-I235 HydrophobicContact CZ-CD1 4.24Å; F154-I235 HydrophobicContact CZ-CG1 4.19Å; P231-I235 HydrophobicContact CB-CD1 4.1Å; P231-I235 HydrophobicContact CB-CG1 4.35Å; P231-I235 HydrophobicContact CG-CD1 3.95Å; P231-I235 WeakPolarHBondContact O-CG1 3.4Å; P231-I235 PolarHBondContact O-N 2.81Å; L232-I235 PolarHBondContact O-N 2.89Å; I235-I239 HydrophobicContact CB-CD1 4.48Å; I235-I239 HydrophobicContact CG1-CD1 3.91Å; I235-I239 WeakPolarHBondContact O-CB 3.24Å; I235-I239 PolarHBondContact O-N 2.75Å; I235-V240 WeakPolarHBondContact O-CG2 3.3Å; I235-V240 PolarHBondContact O-N 3.02Å
236I91.9Very high91.1Very high96 Ų9645.9 Ų45.949%0.49224%0.236SC..Iπ-helixtrans-72-42.2-175.4-64.9171.4000111.6L232 P241L232-I236 HydrophobicContact CD1-CD1 4.5Å; L232-I236 HydrophobicContact CD2-CD1 4.4Å; L232-I236 HydrophobicContact CG-CD1 4.04Å; L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 3.3Å; L232-I236 VanDerWaalsContact O-N 3.08Å; I236-P241 WeakPolarHBondContact O-CD 3.45Å
237N87.9Confident90.9Very high82 Ų8248.7 Ų48.744%0.43925%0.253SS..Iπ-helixtrans-92.6-19.7-169.9-65.9-38.4000114.6F233F233-N237 WeakPolarHBondContact CD2-ND2 3.31Å; F233-N237 WeakPolarHBondContact CE2-ND2 3.49Å; F233-N237 WeakPolarHBondContact CZ-ND2 3.44Å; F233-N237 WeakPolarHBondContact O-CB 3.25Å; F233-N237 PolarHBondContact O-N 2.91Å; F233-N237 PolarHBondContact O-ND2 2.84Å
238I88.3Confident90.7Very high22 Ų2252.5 Ų52.511%0.11327%0.273CS..Iπ-helixtrans-119.8-55.2-178-51.2-172.7000110.8Y234 P241 C242 L280 I294Y234-I238 HydrophobicContact CD1-CD1 3.81Å; Y234-I238 WeakPolarHBondContact O-CA 3.04Å; Y234-I238 WeakPolarHBondContact O-CB 3.3Å; Y234-I238 PolarHBondContact O-N 2.89Å; I238-P241 WeakPolarHBondContact O-CD 3.31Å; I238-C242 WeakPolarHBondContact O-CB 3.28Å; I238-C242 PolarHBondContact O-N 3.11Å; I238-C242 VanDerWaalsContact O-N 3.15Å; I238-C242 PolarHBondContact O-SG 3.08Å; I238-L280 HydrophobicContact CD1-CD1 4.03Å; I238-I294 HydrophobicContact CB-CD1 4.19Å; I238-I294 HydrophobicContact CD1-CD1 4.28Å; I238-I294 HydrophobicContact CG2-CD1 3.8Å; I238-I294 HydrophobicContact CG2-CG1 4.38Å
239I89.3Confident90.5Very high10 Ų1050.7 Ų50.75%0.05127%0.265CS..Iπ-helixtrans-66.9-48.7-173.7-70162.5000111.6F154 Y234 I235 C242 I243 F473F154-I239 HydrophobicContact CE2-CD1 4.13Å; F154-I239 HydrophobicContact CZ-CD1 4.1Å; Y234-I239 PolarHBondContact O-N 3.34Å; Y234-I239 VanDerWaalsContact O-N 3.09Å; I235-I239 HydrophobicContact CB-CD1 4.48Å; I235-I239 HydrophobicContact CG1-CD1 3.91Å; I235-I239 WeakPolarHBondContact O-CB 3.24Å; I235-I239 PolarHBondContact O-N 2.75Å; I239-C242 PolarHBondContact O-N 3.32Å; I239-C242 VanDerWaalsContact O-N 3.16Å; I239-I243 HydrophobicContact CG2-CD1 3.66Å; I239-I243 HydrophobicContact CG2-CG1 4.28Å; I239-I243 WeakPolarHBondContact O-CG1 3.49Å; I239-I243 PolarHBondContact O-N 2.99Å; I239-F473 HydrophobicContact CB-CZ 4.49Å; I239-F473 HydrophobicContact CD1-CE1 3.85Å; I239-F473 HydrophobicContact CD1-CZ 4.41Å; I239-F473 HydrophobicContact CG1-CE1 4.23Å; I239-F473 HydrophobicContact CG1-CZ 4.3Å; I239-F473 HydrophobicContact CG2-CE1 3.89Å; I239-F473 HydrophobicContact CG2-CE2 4.41Å; I239-F473 HydrophobicContact CG2-CZ 3.44Å; I239-F473 VanDerWaalsContact CG2-CZ 3.44Å
240V90.3Very high90.4Very high65 Ų6551.9 Ų51.939%0.39427%0.271SS..Hα-helixtrans-59.2-49.9-178.9167.30000111.8I235 C242 I243 L244I235-V240 WeakPolarHBondContact O-CG2 3.3Å; I235-V240 PolarHBondContact O-N 3.02Å; V240-C242 VanDerWaalsContact C-N 3.32Å; V240-C242 PolarHBondContact O-N 3.15Å; V240-I243 PolarHBondContact O-N 3.48Å; V240-L244 HydrophobicContact CG1-CD1 4.09Å; V240-L244 WeakPolarHBondContact O-CG 3.48Å; V240-L244 PolarHBondContact O-N 2.76Å
241P90.1Very high90.2Very high28 Ų2853.8 Ų53.818%0.18228%0.28CS..Hα-helixtrans-56.9-40.2173.1-28.736.4000113.8I236 I238 I243 L244 T245 F276I236-P241 WeakPolarHBondContact O-CD 3.45Å; I238-P241 WeakPolarHBondContact O-CD 3.31Å; P241-I243 PolarHBondContact O-N 2.95Å; P241-L244 PolarHBondContact O-N 3.49Å; P241-T245 WeakPolarHBondContact O-CG2 3.36Å; P241-T245 PolarHBondContact O-N 3.24Å; P241-T245 PolarHBondContact O-OG1 3.49Å; P241-F276 HydrophobicContact CB-CE1 3.95Å; P241-F276 HydrophobicContact CB-CE2 4.18Å; P241-F276 HydrophobicContact CB-CZ 3.72Å
242C88.6Confident90.2Very high0 Ų052.4 Ų52.40%027%0.271CS..Hα-helixtrans-67.2-34.6178.1-68.70000113.3I238 I239 V240 T245 S246 Y297I238-C242 WeakPolarHBondContact O-CB 3.28Å; I238-C242 PolarHBondContact O-N 3.11Å; I238-C242 VanDerWaalsContact O-N 3.15Å; I238-C242 PolarHBondContact O-SG 3.08Å; I239-C242 PolarHBondContact O-N 3.32Å; I239-C242 VanDerWaalsContact O-N 3.16Å; V240-C242 VanDerWaalsContact C-N 3.32Å; V240-C242 PolarHBondContact O-N 3.15Å; C242-T245 WeakPolarHBondContact CA-OG1 3.35Å; C242-T245 PolarHBondContact O-OG1 2.89Å; C242-S246 WeakPolarHBondContact O-CB 3.19Å; C242-S246 PolarHBondContact O-N 3.37Å; C242-S246 VanDerWaalsContact O-N 3.07Å; C242-S246 PolarHBondContact O-OG 3.27Å; C242-Y297 HydrophobicContact CB-CE1 3.81Å
243I90.4Very high90.2Very high69 Ų6946.7 Ų46.735%0.35424%0.241SC..Hα-helixtrans-67.1-43.9172.6-67.3169.8000109.6I239 V240 P241 T245 S246 V247 F473I239-I243 HydrophobicContact CG2-CD1 3.66Å; I239-I243 HydrophobicContact CG2-CG1 4.28Å; I239-I243 WeakPolarHBondContact O-CG1 3.49Å; I239-I243 PolarHBondContact O-N 2.99Å; V240-I243 PolarHBondContact O-N 3.48Å; P241-I243 PolarHBondContact O-N 2.95Å; I243-T245 PolarHBondContact O-N 3.13Å; I243-S246 WeakPolarHBondContact O-CB 3.3Å; I243-S246 PolarHBondContact O-N 2.92Å; I243-V247 WeakPolarHBondContact O-CG2 3.44Å; I243-V247 PolarHBondContact O-N 2.95Å; I243-F473 HydrophobicContact CD1-CE2 4.38Å
244L91.4Very high90.2Very high105 Ų10547.8 Ų47.855%0.5524%0.242SC..Hα-helixtrans-61.8-42.7177.6-68.8172000112.1V240 P241 S246 V247 L248V240-L244 HydrophobicContact CG1-CD1 4.09Å; V240-L244 WeakPolarHBondContact O-CG 3.48Å; V240-L244 PolarHBondContact O-N 2.76Å; P241-L244 PolarHBondContact O-N 3.49Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-S246 PolarHBondContact O-N 3.39Å; L244-V247 PolarHBondContact O-N 2.66Å; L244-L248 WeakPolarHBondContact O-CG 3.39Å; L244-L248 PolarHBondContact O-N 2.97Å
245T89.3Confident90.2Very high10 Ų1049.4 Ų49.46%0.06125%0.252CS..Hα-helixtrans-66-3717655.80000112.1P241 C242 I243 V247 L248 A249 F276P241-T245 WeakPolarHBondContact O-CG2 3.36Å; P241-T245 PolarHBondContact O-N 3.24Å; P241-T245 PolarHBondContact O-OG1 3.49Å; C242-T245 WeakPolarHBondContact CA-OG1 3.35Å; C242-T245 PolarHBondContact O-OG1 2.89Å; I243-T245 PolarHBondContact O-N 3.13Å; T245-V247 VanDerWaalsContact C-N 3.34Å; T245-V247 PolarHBondContact O-N 3.09Å; T245-L248 PolarHBondContact O-N 2.91Å; T245-A249 PolarHBondContact O-N 3.21Å; T245-F276 HydrophobicContact CG2-CD2 4.47Å; T245-F276 HydrophobicContact CG2-CE2 4.05Å
246S89.1Confident90.1Very high8 Ų850.1 Ų50.16%0.05626%0.26CS..Hα-helixtrans-63.8-39.1174.1-59.60000111.9C242 I243 L244 A249 I250C242-S246 WeakPolarHBondContact O-CB 3.19Å; C242-S246 PolarHBondContact O-N 3.37Å; C242-S246 VanDerWaalsContact O-N 3.07Å; C242-S246 PolarHBondContact O-OG 3.27Å; I243-S246 WeakPolarHBondContact O-CB 3.3Å; I243-S246 PolarHBondContact O-N 2.92Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-S246 PolarHBondContact O-N 3.39Å; S246-A249 WeakPolarHBondContact O-CB 3.18Å; S246-A249 PolarHBondContact O-N 2.87Å; S246-I250 PolarHBondContact O-N 3.28Å
247V91.1Very high89.9Confident62 Ų6245.7 Ų45.738%0.37624%0.238SC..Hα-helixtrans-64.7-43.1173.3169.40000111.2I243 L244 T245 A249 I250 F251I243-V247 WeakPolarHBondContact O-CG2 3.44Å; I243-V247 PolarHBondContact O-N 2.95Å; L244-V247 PolarHBondContact O-N 2.66Å; T245-V247 VanDerWaalsContact C-N 3.34Å; T245-V247 PolarHBondContact O-N 3.09Å; V247-A249 VanDerWaalsContact C-N 3.28Å; V247-A249 PolarHBondContact O-N 3.01Å; V247-I250 WeakPolarHBondContact O-CB 3.46Å; V247-I250 PolarHBondContact O-N 3.44Å; V247-I250 VanDerWaalsContact O-N 3.15Å; V247-F251 HydrophobicContact CG1-CD2 3.73Å; V247-F251 HydrophobicContact CG1-CE2 3.4Å; V247-F251 VanDerWaalsContact O-CD2 3.22Å; V247-F251 WeakPolarHBondContact O-CD2 3.4Å; V247-F251 PolarHBondContact O-N 2.99Å; V247-F251 VanDerWaalsContact O-N 3.1Å
248L90.9Very high89.6Confident80 Ų8044.7 Ų44.742%0.41925%0.246SC..Hα-helixtrans-60.6-37.7174.4-69.2174.9000112.1L244 T245 I250 F251 V252 V269L244-L248 WeakPolarHBondContact O-CG 3.39Å; L244-L248 PolarHBondContact O-N 2.97Å; T245-L248 PolarHBondContact O-N 2.91Å; L248-I250 VanDerWaalsContact C-N 3.29Å; L248-I250 PolarHBondContact O-N 3.5Å; L248-F251 PolarHBondContact O-N 2.91Å; L248-F251 VanDerWaalsContact O-N 3.15Å; L248-V252 PolarHBondContact O-N 3.34Å; L248-V269 HydrophobicContact CB-CG2 3.92Å
249A89.1Confident89.4Confident2 Ų246.2 Ų46.22%0.01726%0.262CS..Hα-helixtrans-63.7-32.817600000112.9T245 S246 V247 V252 V269 V305T245-A249 PolarHBondContact O-N 3.21Å; S246-A249 WeakPolarHBondContact O-CB 3.18Å; S246-A249 PolarHBondContact O-N 2.87Å; V247-A249 VanDerWaalsContact C-N 3.28Å; V247-A249 PolarHBondContact O-N 3.01Å; A249-V252 WeakPolarHBondContact O-CB 3.43Å; A249-V269 HydrophobicContact CB-CG1 4.34Å; A249-V305 HydrophobicContact CB-CG2 3.95Å
250I91.8Very high89.1Confident30 Ų3048 Ų4815%0.15428%0.284CS..Hα-helixtrans-69.1-42.2172.1-65.8160.3000110.5S246 V247 L248 V252 F253 L458 V462 T465S246-I250 PolarHBondContact O-N 3.28Å; V247-I250 WeakPolarHBondContact O-CB 3.46Å; V247-I250 PolarHBondContact O-N 3.44Å; V247-I250 VanDerWaalsContact O-N 3.15Å; L248-I250 VanDerWaalsContact C-N 3.29Å; L248-I250 PolarHBondContact O-N 3.5Å; I250-V252 PolarHBondContact O-N 3.09Å; I250-F253 PolarHBondContact O-N 3.47Å; I250-F253 VanDerWaalsContact O-N 3.11Å; I250-L458 HydrophobicContact CG2-CG 4.33Å; I250-V462 HydrophobicContact CD1-CG2 4.16Å; I250-V462 HydrophobicContact CG1-CG2 4.38Å; I250-V462 HydrophobicContact CG2-CG2 3.63Å; I250-T465 HydrophobicContact CD1-CG2 4.38Å
251F91Very high89Confident119 Ų11950.6 Ų50.652%0.52229%0.291SS..Hα-helixtrans-62.8-22.7179.1-79.6-63.8000113.7V247 L248 F253 Y254 L255V247-F251 HydrophobicContact CG1-CD2 3.73Å; V247-F251 HydrophobicContact CG1-CE2 3.4Å; V247-F251 VanDerWaalsContact O-CD2 3.22Å; V247-F251 WeakPolarHBondContact O-CD2 3.4Å; V247-F251 PolarHBondContact O-N 2.99Å; V247-F251 VanDerWaalsContact O-N 3.1Å; L248-F251 PolarHBondContact O-N 2.91Å; L248-F251 VanDerWaalsContact O-N 3.15Å; F251-F253 VanDerWaalsContact C-N 3.25Å; F251-F253 PolarHBondContact O-N 2.85Å; F251-Y254 WeakPolarHBondContact O-CA 3.46Å; F251-Y254 WeakPolarHBondContact O-CB 3.36Å; F251-Y254 PolarHBondContact O-N 3.29Å; F251-L255 PolarHBondContact O-N 3.43Å
252V91.1Very high89Confident1 Ų149.4 Ų49.41%0.00628%0.283CS..Hα-helixtrans-55.6-40.3171.8176.50000111.6L248 A249 I250 Y254 L255 K262 L265 S312L248-V252 PolarHBondContact O-N 3.34Å; A249-V252 WeakPolarHBondContact O-CB 3.43Å; I250-V252 PolarHBondContact O-N 3.09Å; V252-Y254 PolarHBondContact O-N 2.92Å; V252-L255 PolarHBondContact O-N 3.16Å; V252-K262 HydrophobicContact CG1-CG 3.85Å; V252-K262 VanDerWaalsContact O-CE 3.3Å; V252-K262 WeakPolarHBondContact O-CE 3.46Å; V252-L265 HydrophobicContact CB-CD2 4.46Å; V252-L265 HydrophobicContact CG2-CB 4.47Å; V252-L265 HydrophobicContact CG2-CD2 3.66Å; V252-L265 HydrophobicContact CG2-CG 3.94Å; V252-S312 WeakPolarHBondContact CG1-OG 3.29Å
253F91.3Very high89Confident0 Ų051.5 Ų51.50%029%0.294CS..THydrogen-bonded Turntrans-79.7-5.1177.7-60.1-70.4000113.5I250 F251 S308 L311 D454 F457 L458 F461I250-F253 PolarHBondContact O-N 3.47Å; I250-F253 VanDerWaalsContact O-N 3.11Å; F251-F253 VanDerWaalsContact C-N 3.25Å; F251-F253 PolarHBondContact O-N 2.85Å; F253-S308 VanDerWaalsContact CE2-OG 3.24Å; F253-S308 WeakPolarHBondContact CE2-OG 3.1Å; F253-S308 VanDerWaalsContact CZ-OG 3.28Å; F253-S308 WeakPolarHBondContact CZ-OG 3.4Å; F253-L311 HydrophobicContact CE1-CB 3.98Å; F253-L311 HydrophobicContact CZ-CB 4.18Å; F253-L311 HydrophobicContact CZ-CD1 4.36Å; F253-D454 WeakPolarHBondContact CA-OD1 3.09Å; F253-D454 VanDerWaalsContact CD1-OD1 3.29Å; F253-D454 WeakPolarHBondContact CD1-OD1 3.48Å; F253-D454 VanDerWaalsContact O-CG 3.29Å; F253-F457 HydrophobicContact CD1-CB 3.86Å; F253-F457 HydrophobicContact CE1-CB 3.77Å; F253-F457 HydrophobicContact CE1-CD2 4.29Å; F253-F457 HydrophobicContact CE1-CG 4.42Å; F253-F457 HydrophobicContact CG-CB 4.36Å; F253-F457 HydrophobicContact CZ-CB 4.17Å; F253-L458 HydrophobicContact CB-CB 3.85Å; F253-L458 HydrophobicContact CB-CD1 4.5Å; F253-L458 HydrophobicContact CB-CG 4.41Å; F253-F461 HydrophobicContact CD2-CB 4.49Å; F253-F461 HydrophobicContact CD2-CG 4.27Å; F253-F461 HydrophobicContact CE2-CB 4.27Å; F253-F461 AromaticContact CE2-CD1 3.74Å; F253-F461 HydrophobicContact CE2-CD1 3.74Å; F253-F461 AromaticContact CE2-CD2 3.69Å; F253-F461 HydrophobicContact CE2-CD2 3.69Å; F253-F461 AromaticContact CE2-CE1 3.98Å; F253-F461 HydrophobicContact CE2-CE1 3.98Å; F253-F461 AromaticContact CE2-CE2 3.95Å; F253-F461 HydrophobicContact CE2-CE2 3.95Å; F253-F461 AromaticContact CE2-CG 3.59Å; F253-F461 HydrophobicContact CE2-CG 3.59Å; F253-F461 HydrophobicContact CE2-CZ 4.09Å; F253-F461 HydrophobicContact CZ-CD2 4.02Å; F253-F461 HydrophobicContact CZ-CE1 4.41Å; F253-F461 AromaticContact CZ-CE2 3.89Å; F253-F461 HydrophobicContact CZ-CE2 3.89Å; F253-F461 HydrophobicContact CZ-CG 4.36Å; F253-F461 HydrophobicContact CZ-CZ 4.09Å
254Y90.4Very high89Confident142 Ų14251.8 Ų51.856%0.55730%0.299SS*.THydrogen-bonded Turntrans-88.1-25.4171.7-166.8-91.9000112.3F251 V252 L458F251-Y254 WeakPolarHBondContact O-CA 3.46Å; F251-Y254 WeakPolarHBondContact O-CB 3.36Å; F251-Y254 PolarHBondContact O-N 3.29Å; V252-Y254 PolarHBondContact O-N 2.92Å; Y254-L458 HydrophobicContact CD2-CD1 4.06Å
255L90.3Very high89Confident52 Ų5249.7 Ų49.727%0.27229%0.288SS..SBendtrans-76.5129-175.8-166.174.6000111.5F251 V252 E261 K262F251-L255 PolarHBondContact O-N 3.43Å; V252-L255 PolarHBondContact O-N 3.16Å; L255-E261 HydrophobicContact CD2-CB 4.09Å; L255-K262 HydrophobicContact CD2-CB 4.12Å
256P89.1Confident89Confident70 Ų7049.3 Ų49.346%0.45529%0.286SS..  trans-64.3136.2178.826.3-33.8000111.1G258 A259P256-G258 PolarHBondContact O-N 3.36Å; P256-G258 VanDerWaalsContact O-N 3.14Å; P256-A259 HydrophobicContact CG-CB 4.45Å; P256-A259 PolarHBondContact O-N 3.09Å
257P86.3Confident89.1Confident3 Ų352.7 Ų52.72%0.01930%0.302CS..G310 helixtrans-61-24.6-179.9-24.533.7000114.4A259 G260 V315 L316 H319P257-A259 PolarHBondContact O-N 3.37Å; P257-G260 PolarHBondContact O-N 2.96Å; P257-V315 HydrophobicContact CG-CG1 3.8Å; P257-L316 HydrophobicContact CB-CD1 4.29Å; P257-H319 HydrophobicContact CB-CB 3.87Å; P257-H319 HydrophobicContact CG-CB 4.32Å
258G82.7Confident89.1Confident60 Ų6052.8 Ų52.862%0.61931%0.306SS*.G310 helixtrans-67.4-13.9178.600000115.2P256P256-G258 PolarHBondContact O-N 3.36Å; P256-G258 VanDerWaalsContact O-N 3.14Å
259A83.7Confident89.1Confident54 Ų5449.3 Ų49.345%0.44629%0.288SS..G310 helixtrans-79.6-14.7179.800000114P256 P257 E261P256-A259 HydrophobicContact CG-CB 4.45Å; P256-A259 PolarHBondContact O-N 3.09Å; P257-A259 PolarHBondContact O-N 3.37Å; A259-E261 PolarHBondContact O-N 2.99Å
260G83.4Confident89.2Confident49 Ų4951.2 Ų51.251%0.50530%0.297SS..SBendtrans74.6-26.5-178.600000115.6P257 K262P257-G260 PolarHBondContact O-N 2.96Å; G260-K262 VanDerWaalsContact C-N 3.25Å; G260-K262 PolarHBondContact O-N 2.95Å
261E88Confident89.2Confident118 Ų11854.5 Ų54.555%0.55131%0.314SS*.Hα-helixtrans-74.6-6.6-175.9-64.6-54.8145.200115.4L255 A259 M263 T264 L265L255-E261 HydrophobicContact CD2-CB 4.09Å; A259-E261 PolarHBondContact O-N 2.99Å; E261-M263 PolarHBondContact O-N 3.05Å; E261-T264 PolarHBondContact O-N 3.07Å; E261-L265 PolarHBondContact O-N 3.4Å
262K89.3Confident89.2Confident3 Ų350.6 Ų50.61%0.01330%0.304CS..Hα-helixtrans-60.4-42.9-176.3-172.7172-175.5164.20112.8V252 L255 G260 S266 D454V252-K262 HydrophobicContact CG1-CG 3.85Å; V252-K262 VanDerWaalsContact O-CE 3.3Å; V252-K262 WeakPolarHBondContact O-CE 3.46Å; L255-K262 HydrophobicContact CD2-CB 4.12Å; G260-K262 VanDerWaalsContact C-N 3.25Å; G260-K262 PolarHBondContact O-N 2.95Å; K262-S266 WeakPolarHBondContact O-CB 3.34Å; K262-S266 PolarHBondContact O-N 3.38Å; K262-D454 IonicContact NZ-OD1 2.63Å; K262-D454 PolarHBondContact NZ-OD1 3.14Å; K262-D454 IonicContact NZ-OD2 2.79Å; K262-D454 PolarHBondContact NZ-OD2 3.32Å
263M90Very high89Confident44 Ų4450.6 Ų50.622%0.21730%0.304CS..Hα-helixtrans-69.4-45-179.7-68.1-54.7-56.100111.3E261 L265 S266 I267 V309 V313 L316E261-M263 PolarHBondContact O-N 3.05Å; M263-L265 PolarHBondContact O-N 3.26Å; M263-S266 PolarHBondContact O-N 2.83Å; M263-S266 PolarHBondContact O-OG 3.41Å; M263-I267 WeakPolarHBondContact O-CG1 3.36Å; M263-I267 PolarHBondContact O-N 3.44Å; M263-V309 HydrophobicContact CE-CG1 4.4Å; M263-V313 HydrophobicContact CE-CG2 3.47Å; M263-V313 VanDerWaalsContact CE-CG2 3.47Å; M263-V313 HydrophobicContact SD-CG2 4.01Å; M263-L316 HydrophobicContact CG-CD2 3.85Å; M263-L316 HydrophobicContact SD-CD2 4.27Å
264T90.8Very high88.8Confident75 Ų7552.8 Ų52.846%0.4632%0.317SS..Hα-helixtrans-57.1-46.9178.2-47.40000111.9E261 S268E261-T264 PolarHBondContact O-N 3.07Å; T264-S268 VanDerWaalsContact O-CB 3.3Å; T264-S268 WeakPolarHBondContact O-CB 3.46Å; T264-S268 PolarHBondContact O-N 3.36Å; T264-S268 PolarHBondContact O-OG 2.91Å
265L90.4Very high88.8Confident62 Ų6249.6 Ų49.633%0.32531%0.313SS..Hα-helixtrans-61.3-47.2176.6-174.771.2000111V252 E261 M263 I267 S268 V269V252-L265 HydrophobicContact CB-CD2 4.46Å; V252-L265 HydrophobicContact CG2-CB 4.47Å; V252-L265 HydrophobicContact CG2-CD2 3.66Å; V252-L265 HydrophobicContact CG2-CG 3.94Å; E261-L265 PolarHBondContact O-N 3.4Å; M263-L265 PolarHBondContact O-N 3.26Å; L265-I267 PolarHBondContact O-N 2.98Å; L265-S268 PolarHBondContact O-N 3.39Å; L265-V269 VanDerWaalsContact O-CG2 3.31Å; L265-V269 WeakPolarHBondContact O-CG2 3.05Å; L265-V269 PolarHBondContact O-N 3Å
266S89.3Confident88.5Confident2 Ų250 Ų501%0.01431%0.312CS..Hα-helixtrans-61.6-43.1-177.276.10000113.1K262 M263 L270K262-S266 WeakPolarHBondContact O-CB 3.34Å; K262-S266 PolarHBondContact O-N 3.38Å; M263-S266 PolarHBondContact O-N 2.83Å; M263-S266 PolarHBondContact O-OG 3.41Å; S266-L270 PolarHBondContact O-N 2.8Å
267I91.4Very high88.3Confident79 Ų7949.8 Ų49.841%0.40531%0.306SS..Hα-helixtrans-71.3-41.1178.1-65.3167.2000110.8M263 L265 V269 L270 I271M263-I267 WeakPolarHBondContact O-CG1 3.36Å; M263-I267 PolarHBondContact O-N 3.44Å; L265-I267 PolarHBondContact O-N 2.98Å; I267-V269 VanDerWaalsContact C-N 3.32Å; I267-V269 PolarHBondContact O-N 3.25Å; I267-L270 WeakPolarHBondContact O-CB 3.3Å; I267-L270 PolarHBondContact O-N 2.99Å; I267-I271 HydrophobicContact CG2-CD1 3.89Å; I267-I271 HydrophobicContact CG2-CG1 4.41Å; I267-I271 WeakPolarHBondContact O-CG1 3.32Å; I267-I271 PolarHBondContact O-N 3.16Å
268S91.8Very high88.3Confident64 Ų6455 Ų5545%0.44833%0.333SS..Hα-helixtrans-62.6-39.2178.7-57.60000112T264 L265 I271 A272T264-S268 VanDerWaalsContact O-CB 3.3Å; T264-S268 WeakPolarHBondContact O-CB 3.46Å; T264-S268 PolarHBondContact O-N 3.36Å; T264-S268 PolarHBondContact O-OG 2.91Å; L265-S268 PolarHBondContact O-N 3.39Å; S268-I271 PolarHBondContact O-N 3.49Å; S268-A272 WeakPolarHBondContact O-CB 3.3Å; S268-A272 PolarHBondContact O-N 3.04Å
269V91.3Very high88.4Confident7 Ų757 Ų574%0.04233%0.329CS..Hα-helixtrans-64.6-41.3174.61720000111.2L248 A249 L265 I267 A272 L273 V305L248-V269 HydrophobicContact CB-CG2 3.92Å; A249-V269 HydrophobicContact CB-CG1 4.34Å; L265-V269 VanDerWaalsContact O-CG2 3.31Å; L265-V269 WeakPolarHBondContact O-CG2 3.05Å; L265-V269 PolarHBondContact O-N 3Å; I267-V269 VanDerWaalsContact C-N 3.32Å; I267-V269 PolarHBondContact O-N 3.25Å; V269-A272 PolarHBondContact O-N 3.4Å; V269-L273 WeakPolarHBondContact O-CB 3.3Å; V269-L273 PolarHBondContact O-N 2.9Å; V269-V305 HydrophobicContact CG1-CG1 4.13Å; V269-V305 HydrophobicContact CG1-CG2 4.31Å
270L89.9Confident88.3Confident41 Ų4154.7 Ų54.722%0.21531%0.309CS..Hα-helixtrans-62-46.5175.7-178.963000111.7S266 I267 L273 T274 V305 T306 V309S266-L270 PolarHBondContact O-N 2.8Å; I267-L270 WeakPolarHBondContact O-CB 3.3Å; I267-L270 PolarHBondContact O-N 2.99Å; L270-L273 PolarHBondContact O-N 3.38Å; L270-T274 WeakPolarHBondContact O-CG2 3.3Å; L270-T274 PolarHBondContact O-N 3.35Å; L270-V305 HydrophobicContact CB-CG1 3.98Å; L270-V305 HydrophobicContact CD1-CG1 4.01Å; L270-T306 HydrophobicContact CD1-CG2 3.6Å; L270-T306 HydrophobicContact CD2-CG2 4.32Å; L270-V309 HydrophobicContact CD2-CG2 4.47Å
271I92Very high88.2Confident100 Ų10055.1 Ų55.151%0.51331%0.308SS..Hα-helixtrans-61.5-47.7177.9-66.7168.8000110.5I267 S268 L273 T274 V275I267-I271 HydrophobicContact CG2-CD1 3.89Å; I267-I271 HydrophobicContact CG2-CG1 4.41Å; I267-I271 WeakPolarHBondContact O-CG1 3.32Å; I267-I271 PolarHBondContact O-N 3.16Å; S268-I271 PolarHBondContact O-N 3.49Å; I271-L273 VanDerWaalsContact C-N 3.27Å; I271-L273 PolarHBondContact O-N 3.47Å; I271-T274 WeakPolarHBondContact CA-OG1 3.46Å; I271-T274 PolarHBondContact O-N 3.49Å; I271-T274 VanDerWaalsContact O-N 3.14Å; I271-T274 PolarHBondContact O-OG1 3.29Å; I271-V275 WeakPolarHBondContact O-CG2 3.3Å; I271-V275 PolarHBondContact O-N 3.04Å
272A90.2Very high87.8Confident37 Ų3756 Ų5631%0.30632%0.317SS..Hα-helixtrans-56.6-43.3177.600000111.7S268 V269 V275 F276S268-A272 WeakPolarHBondContact O-CB 3.3Å; S268-A272 PolarHBondContact O-N 3.04Å; V269-A272 PolarHBondContact O-N 3.4Å; A272-V275 PolarHBondContact O-N 3.41Å; A272-F276 WeakPolarHBondContact O-CD2 3.25Å; A272-F276 PolarHBondContact O-N 2.65Å; A272-F276 VanDerWaalsContact O-N 3.08Å
273L87.5Confident87.4Confident1 Ų161.4 Ų61.41%0.00534%0.34CS..Hα-helixtrans-64.9-39.5177.5-173.561.7000112.9V269 L270 I271 V275 F276 M277 V298 M302 V305V269-L273 WeakPolarHBondContact O-CB 3.3Å; V269-L273 PolarHBondContact O-N 2.9Å; L270-L273 PolarHBondContact O-N 3.38Å; I271-L273 VanDerWaalsContact C-N 3.27Å; I271-L273 PolarHBondContact O-N 3.47Å; L273-V275 VanDerWaalsContact C-N 3.32Å; L273-V275 PolarHBondContact O-N 3.37Å; L273-F276 PolarHBondContact O-N 3.04Å; L273-M277 PolarHBondContact O-N 2.84Å; L273-V298 HydrophobicContact CD1-CG1 4.44Å; L273-M302 VanDerWaalsContact CD2-CA 3.43Å; L273-M302 HydrophobicContact CD2-CB 3.94Å; L273-V305 HydrophobicContact CD2-CB 4.18Å; L273-V305 HydrophobicContact CD2-CG2 3.93Å
274T87.9Confident87Confident45 Ų4560.4 Ų60.428%0.27634%0.337SS..Hα-helixtrans-64.1-36.1174.957.40000112.7L270 I271 M277 L278 M302L270-T274 WeakPolarHBondContact O-CG2 3.3Å; L270-T274 PolarHBondContact O-N 3.35Å; I271-T274 WeakPolarHBondContact CA-OG1 3.46Å; I271-T274 PolarHBondContact O-N 3.49Å; I271-T274 VanDerWaalsContact O-N 3.14Å; I271-T274 PolarHBondContact O-OG1 3.29Å; T274-M277 PolarHBondContact O-N 3.14Å; T274-L278 WeakPolarHBondContact O-CG 3.47Å; T274-L278 PolarHBondContact O-N 3.45Å; T274-M302 HydrophobicContact CG2-CE 4.07Å
275V89.5Confident86.5Confident76 Ų7657.3 Ų57.346%0.46132%0.317SS..Hα-helixtrans-65.3-42.3174.4173.50000110.9I271 A272 L273 M277 L278 L279I271-V275 WeakPolarHBondContact O-CG2 3.3Å; I271-V275 PolarHBondContact O-N 3.04Å; A272-V275 PolarHBondContact O-N 3.41Å; L273-V275 VanDerWaalsContact C-N 3.32Å; L273-V275 PolarHBondContact O-N 3.37Å; V275-M277 VanDerWaalsContact C-N 3.31Å; V275-M277 PolarHBondContact O-N 2.92Å; V275-L278 PolarHBondContact O-N 3.28Å; V275-L279 PolarHBondContact O-N 2.98Å
276F84.3Confident85.7Confident61 Ų6162.9 Ų62.927%0.26834%0.342SS..Hα-helixtrans-63.1-36.5174.7-70.9-57.9000112.6P241 T245 A272 L273 L279 L280P241-F276 HydrophobicContact CB-CE1 3.95Å; P241-F276 HydrophobicContact CB-CE2 4.18Å; P241-F276 HydrophobicContact CB-CZ 3.72Å; T245-F276 HydrophobicContact CG2-CD2 4.47Å; T245-F276 HydrophobicContact CG2-CE2 4.05Å; A272-F276 WeakPolarHBondContact O-CD2 3.25Å; A272-F276 PolarHBondContact O-N 2.65Å; A272-F276 VanDerWaalsContact O-N 3.08Å; L273-F276 PolarHBondContact O-N 3.04Å; F276-L279 HydrophobicContact CD1-CD1 4.34Å; F276-L279 PolarHBondContact O-N 2.85Å; F276-L280 PolarHBondContact O-N 3.32Å; F276-L280 VanDerWaalsContact O-N 3.11Å
277M84.9Confident85.1Confident64 Ų6465.9 Ų65.932%0.31536%0.36SS..Hα-helixtrans-64.5-41.7174.6-171.7-85.5-87.800111.9L273 T274 V275 L279 L280 A281 V298L273-M277 PolarHBondContact O-N 2.84Å; T274-M277 PolarHBondContact O-N 3.14Å; V275-M277 VanDerWaalsContact C-N 3.31Å; V275-M277 PolarHBondContact O-N 2.92Å; M277-L279 PolarHBondContact O-N 3.25Å; M277-L280 WeakPolarHBondContact O-CB 3.29Å; M277-L280 PolarHBondContact O-N 3.13Å; M277-L280 VanDerWaalsContact O-N 3.15Å; M277-A281 PolarHBondContact O-N 2.95Å; M277-V298 HydrophobicContact CB-CG1 3.92Å; M277-V298 HydrophobicContact CG-CG1 4.11Å
278L85.6Confident84.2Confident112 Ų11268 Ų6859%0.58638%0.382SS*.Hα-helixtrans-61.6-42.4174.7-70.6172.4000112.1T274 V275 L280 A281T274-L278 WeakPolarHBondContact O-CG 3.47Å; T274-L278 PolarHBondContact O-N 3.45Å; V275-L278 PolarHBondContact O-N 3.28Å; L278-L280 PolarHBondContact O-N 3.23Å; L278-A281 PolarHBondContact O-N 3.49Å
279L85.1Confident83.4Confident102 Ų10272.9 Ų72.953%0.53440%0.402SS..Hα-helixtrans-61.6-32.1175.2-71.3175.2000112.9V275 F276 M277V275-L279 PolarHBondContact O-N 2.98Å; F276-L279 HydrophobicContact CD1-CD1 4.34Å; F276-L279 PolarHBondContact O-N 2.85Å; M277-L279 PolarHBondContact O-N 3.25Å
280L82.6Confident82.6Confident6 Ų673.8 Ų73.83%0.03141%0.413CS..Hα-helixtrans-74.3-36.9177.1-179.564.4000112I238 F276 M277 L278 D282 K283 V284 I294 V295 V298I238-L280 HydrophobicContact CD1-CD1 4.03Å; F276-L280 PolarHBondContact O-N 3.32Å; F276-L280 VanDerWaalsContact O-N 3.11Å; M277-L280 WeakPolarHBondContact O-CB 3.29Å; M277-L280 PolarHBondContact O-N 3.13Å; M277-L280 VanDerWaalsContact O-N 3.15Å; L278-L280 PolarHBondContact O-N 3.23Å; L280-D282 PolarHBondContact O-N 3.31Å; L280-K283 PolarHBondContact O-N 3.28Å; L280-V284 HydrophobicContact CD1-CG2 3.9Å; L280-V284 HydrophobicContact CG-CG2 4.17Å; L280-V284 PolarHBondContact O-N 3.25Å; L280-I294 HydrophobicContact CD1-CD1 4.24Å; L280-I294 HydrophobicContact CD1-CG1 4.41Å; L280-I294 HydrophobicContact CD1-CG2 3.99Å; L280-I294 HydrophobicContact CD2-CG1 4.37Å; L280-I294 HydrophobicContact CD2-CG2 4.25Å; L280-V295 HydrophobicContact CD2-CB 4.48Å; L280-V295 HydrophobicContact CD2-CG2 3.77Å; L280-V295 HydrophobicContact CG-CG2 4.29Å; L280-V298 HydrophobicContact CD2-CB 4.37Å; L280-V298 HydrophobicContact CD2-CG2 4.04Å
281A80.3Confident82.3Confident59 Ų5978 Ų7849%0.48843%0.434SS..Hα-helixtrans-59.3-33.718000000112.5M277 L278 K283M277-A281 PolarHBondContact O-N 2.95Å; L278-A281 PolarHBondContact O-N 3.49Å; A281-K283 PolarHBondContact O-N 2.78Å
282D80.7Confident82.2Confident136 Ų13673.6 Ų73.673%0.72741%0.413SS*.THydrogen-bonded Turntrans-72.2-16.2177.1-71-19.3000113.8L280L280-D282 PolarHBondContact O-N 3.31Å
283K80.8Confident82.2Confident116 Ų11672.6 Ų72.650%0.50440%0.402SS..THydrogen-bonded Turntrans-102.3-24.1-173.9-63.9-63.9-174171.20113.9L280 A281L280-K283 PolarHBondContact O-N 3.28Å; A281-K283 PolarHBondContact O-N 2.78Å
284V81.7Confident82.3Confident24 Ų2472.9 Ų72.915%0.14540%0.403CS..SBendtrans-93.5137-178.8175.60000108.7F152 L280 P292 V295F152-V284 HydrophobicContact CD1-CG2 4.4Å; F152-V284 HydrophobicContact CE1-CG2 4.18Å; L280-V284 HydrophobicContact CD1-CG2 3.9Å; L280-V284 HydrophobicContact CG-CG2 4.17Å; L280-V284 PolarHBondContact O-N 3.25Å; V284-P292 HydrophobicContact CG1-CG 3.6Å; V284-P292 HydrophobicContact CG2-CG 4.48Å; V284-V295 HydrophobicContact CG2-CG2 4.15Å
285P79.3Confident82.3Confident9 Ų972.6 Ų72.66%0.05840%0.401CS..  trans-65.7147.1175.330.6-38.3000111.6E62 V149 T287E62-P285 HydrophobicContact CB-CG 4.44Å; E62-P285 WeakPolarHBondContact O-CB 3.42Å; V149-P285 HydrophobicContact CG1-CG 3.56Å; P285-T287 HydrophobicContact CB-CG2 4.21Å; P285-T287 HydrophobicContact CG-CG2 4.47Å; P285-T287 PolarHBondContact O-N 3.5Å
286E74Confident82.2Confident179 Ų17973.4 Ų73.484%0.83640%0.403SS*.  trans-74.655.1179.5-63.3172.3-151.600112
287T75.6Confident82.5Confident65 Ų6570.7 Ų70.740%0.39939%0.391SS..  trans-103.5139.6-179.259.70000111.3P285P285-T287 HydrophobicContact CB-CG2 4.21Å; P285-T287 HydrophobicContact CG-CG2 4.47Å; P285-T287 PolarHBondContact O-N 3.5Å
288S72.9Confident82.7Confident124 Ų12467.8 Ų67.887%0.86738%0.377SS*.SBendtrans-97.20.7177.956.60000113.8G290S288-G290 VanDerWaalsContact C-N 3.31Å; S288-G290 PolarHBondContact O-N 3.07Å
289L74.7Confident82.8Confident166 Ų16666.2 Ų66.287%0.86937%0.368SS*.SBendtrans-70.9-25.5-175.2-64.9174.2000112.9
290G74.9Confident83Confident26 Ų2664.5 Ų64.527%0.26836%0.356SS..  trans-166.2151.817600000111.2V149 S288V149-G290 VanDerWaalsContact CG2-O 3.3Å; V149-G290 WeakPolarHBondContact CG2-O 3.4Å; S288-G290 VanDerWaalsContact C-N 3.31Å; S288-G290 PolarHBondContact O-N 3.07Å
291I84.3Confident83.3Confident130 Ų13064.4 Ų64.467%0.66736%0.356SS*.  trans-93.4124.1175.1-59167.7000107.7V295I291-V295 HydrophobicContact CG2-CB 4.16Å; I291-V295 HydrophobicContact CG2-CG1 4.02Å
292P90.4Very high83.8Confident8 Ų863.9 Ų63.95%0.05234%0.344CS..  trans-59.5144.2177.2-23.331.3000113.3V149 A150 F152 V284 I294 V295 N296V149-P292 HydrophobicContact CB-CG 4.28Å; V149-P292 VanDerWaalsContact O-CA 3.28Å; V149-P292 WeakPolarHBondContact O-CA 3.38Å; V149-P292 WeakPolarHBondContact O-CB 3.48Å; A150-P292 CarbonylContact O-C 3.48Å; F152-P292 HydrophobicContact CB-CB 4.26Å; V284-P292 HydrophobicContact CG1-CG 3.6Å; V284-P292 HydrophobicContact CG2-CG 4.48Å; P292-I294 HydrophobicContact CB-CG2 4.05Å; P292-I294 PolarHBondContact O-N 3.48Å; P292-V295 HydrophobicContact CB-CB 4.24Å; P292-V295 HydrophobicContact CB-CG2 3.94Å; P292-V295 HydrophobicContact CG-CB 4.43Å; P292-V295 HydrophobicContact CG-CG2 3.89Å; P292-V295 WeakPolarHBondContact O-CB 3.4Å; P292-V295 PolarHBondContact O-N 2.94Å; P292-N296 PolarHBondContact O-N 3.15Å
293I89.8Confident84.3Confident15 Ų1561.7 Ų61.78%0.07733%0.331CS..Hα-helixtrans-58.5-35.8177.5-164.9150.9000112.4A150 Y151 F152 N296 Y297 V472 D475 A476A150-I293 PolarHBondContact O-N 3.29Å; Y151-I293 HydrophobicContact CD1-CD1 4.25Å; Y151-I293 HydrophobicContact CE1-CD1 4.31Å; F152-I293 WeakPolarHBondContact O-CG2 3.45Å; I293-N296 PolarHBondContact O-N 3.49Å; I293-Y297 WeakPolarHBondContact O-CB 3.46Å; I293-Y297 PolarHBondContact O-N 3.22Å; I293-V472 HydrophobicContact CD1-CG1 4.18Å; I293-V472 HydrophobicContact CG1-CG1 3.63Å; I293-D475 HydrophobicContact CD1-CB 4.23Å; I293-A476 HydrophobicContact CD1-CB 3.99Å
294I88.6Confident84.8Confident7 Ų756.7 Ų56.74%0.03631%0.31CS..Hα-helixtrans-66-38.2174.7-165.4164.6000112.5F152 P153 I238 L280 P292 Y297 V298F152-I294 HydrophobicContact CD1-CG2 3.74Å; F152-I294 HydrophobicContact CE1-CG2 4.23Å; F152-I294 WeakPolarHBondContact O-CG2 3.48Å; P153-I294 HydrophobicContact CG-CD1 4.44Å; I238-I294 HydrophobicContact CB-CD1 4.19Å; I238-I294 HydrophobicContact CD1-CD1 4.28Å; I238-I294 HydrophobicContact CG2-CD1 3.8Å; I238-I294 HydrophobicContact CG2-CG1 4.38Å; L280-I294 HydrophobicContact CD1-CD1 4.24Å; L280-I294 HydrophobicContact CD1-CG1 4.41Å; L280-I294 HydrophobicContact CD1-CG2 3.99Å; L280-I294 HydrophobicContact CD2-CG1 4.37Å; L280-I294 HydrophobicContact CD2-CG2 4.25Å; P292-I294 HydrophobicContact CB-CG2 4.05Å; P292-I294 PolarHBondContact O-N 3.48Å; I294-Y297 PolarHBondContact O-N 3.27Å; I294-V298 WeakPolarHBondContact O-CG2 3.37Å; I294-V298 PolarHBondContact O-N 2.89Å
295V88.3Confident85.2Confident39 Ų3955.6 Ų55.624%0.23630%0.303CS..Hα-helixtrans-68.6-43.9176.7174.60000109.3L280 V284 I291 P292 Y297 V298 M299L280-V295 HydrophobicContact CD2-CB 4.48Å; L280-V295 HydrophobicContact CD2-CG2 3.77Å; L280-V295 HydrophobicContact CG-CG2 4.29Å; V284-V295 HydrophobicContact CG2-CG2 4.15Å; I291-V295 HydrophobicContact CG2-CB 4.16Å; I291-V295 HydrophobicContact CG2-CG1 4.02Å; P292-V295 HydrophobicContact CB-CB 4.24Å; P292-V295 HydrophobicContact CB-CG2 3.94Å; P292-V295 HydrophobicContact CG-CB 4.43Å; P292-V295 HydrophobicContact CG-CG2 3.89Å; P292-V295 WeakPolarHBondContact O-CB 3.4Å; P292-V295 PolarHBondContact O-N 2.94Å; V295-Y297 VanDerWaalsContact C-N 3.28Å; V295-Y297 PolarHBondContact O-N 3.26Å; V295-V298 PolarHBondContact O-N 3.25Å; V295-M299 HydrophobicContact CG1-CG 4.21Å; V295-M299 WeakPolarHBondContact O-CB 3.38Å; V295-M299 VanDerWaalsContact O-CG 3.24Å; V295-M299 WeakPolarHBondContact O-CG 3.48Å; V295-M299 PolarHBondContact O-N 3.15Å
296N88.3Confident85.8Confident93 Ų9357.5 Ų57.550%0.49732%0.315SS..Hα-helixtrans-58-42.2175.1-168.813.2000111.5P292 I293 M299 F300P292-N296 PolarHBondContact O-N 3.15Å; I293-N296 PolarHBondContact O-N 3.49Å; N296-M299 PolarHBondContact O-N 3Å; N296-F300 VanDerWaalsContact O-CB 3.3Å; N296-F300 WeakPolarHBondContact O-CB 3.49Å; N296-F300 PolarHBondContact O-N 3.35Å
297Y89.5Confident86.6Confident4 Ų454.6 Ų54.62%0.01630%0.299CS..Hα-helixtrans-63.4-47.7175.7179.6-114000113.4C242 I293 I294 V295 M299 F300 T301 T469 V472C242-Y297 HydrophobicContact CB-CE1 3.81Å; I293-Y297 WeakPolarHBondContact O-CB 3.46Å; I293-Y297 PolarHBondContact O-N 3.22Å; I294-Y297 PolarHBondContact O-N 3.27Å; V295-Y297 VanDerWaalsContact C-N 3.28Å; V295-Y297 PolarHBondContact O-N 3.26Å; Y297-M299 VanDerWaalsContact C-N 3.3Å; Y297-M299 PolarHBondContact O-N 2.95Å; Y297-F300 PolarHBondContact O-N 3.21Å; Y297-T301 HydrophobicContact CD2-CG2 4.34Å; Y297-T301 HydrophobicContact CE1-CG2 4.3Å; Y297-T301 HydrophobicContact CE2-CG2 3.84Å; Y297-T301 WeakPolarHBondContact O-CG2 3.39Å; Y297-T301 PolarHBondContact O-N 3.1Å; Y297-T301 PolarHBondContact O-OG1 3.38Å; Y297-T469 HydrophobicContact CE2-CG2 3.66Å; Y297-V472 HydrophobicContact CD2-CG1 4.34Å; Y297-V472 HydrophobicContact CG-CG1 4.46Å
298V88.9Confident87.4Confident3 Ų351.6 Ų51.62%0.01828%0.281CS..Hα-helixtrans-64.5-37.4177.6174.40000111L273 M277 L280 I294 V295 T301 M302L273-V298 HydrophobicContact CD1-CG1 4.44Å; M277-V298 HydrophobicContact CB-CG1 3.92Å; M277-V298 HydrophobicContact CG-CG1 4.11Å; L280-V298 HydrophobicContact CD2-CB 4.37Å; L280-V298 HydrophobicContact CD2-CG2 4.04Å; I294-V298 WeakPolarHBondContact O-CG2 3.37Å; I294-V298 PolarHBondContact O-N 2.89Å; V295-V298 PolarHBondContact O-N 3.25Å; V298-T301 WeakPolarHBondContact CA-OG1 3.41Å; V298-T301 PolarHBondContact O-N 3.1Å; V298-T301 PolarHBondContact O-OG1 3.38Å; V298-M302 VanDerWaalsContact O-CB 3.31Å; V298-M302 WeakPolarHBondContact O-CB 3.39Å; V298-M302 PolarHBondContact O-N 3.32Å
299M88.2Confident88.3Confident80 Ų8046.8 Ų46.839%0.39425%0.247SC..Hα-helixtrans-66.7-43.6174.4-72.7-62.1-64.800112.2V295 N296 Y297 T301 M302 I303V295-M299 HydrophobicContact CG1-CG 4.21Å; V295-M299 WeakPolarHBondContact O-CB 3.38Å; V295-M299 VanDerWaalsContact O-CG 3.24Å; V295-M299 WeakPolarHBondContact O-CG 3.48Å; V295-M299 PolarHBondContact O-N 3.15Å; N296-M299 PolarHBondContact O-N 3Å; Y297-M299 VanDerWaalsContact C-N 3.3Å; Y297-M299 PolarHBondContact O-N 2.95Å; M299-T301 PolarHBondContact O-N 2.88Å; M299-M302 PolarHBondContact O-N 2.93Å; M299-I303 WeakPolarHBondContact O-CG1 3.32Å; M299-I303 PolarHBondContact O-N 3.29Å
300F89.7Confident89.1Confident66 Ų6643.7 Ų43.729%0.28923%0.23SC..Hα-helixtrans-59-47174.9171.1-102.2000111.5N296 Y297 M302 I303 L304 I464N296-F300 VanDerWaalsContact O-CB 3.3Å; N296-F300 WeakPolarHBondContact O-CB 3.49Å; N296-F300 PolarHBondContact O-N 3.35Å; Y297-F300 PolarHBondContact O-N 3.21Å; F300-M302 VanDerWaalsContact C-N 3.32Å; F300-M302 PolarHBondContact O-N 3.01Å; F300-I303 PolarHBondContact O-N 3.46Å; F300-L304 HydrophobicContact CE1-CD1 4.28Å; F300-L304 HydrophobicContact CZ-CD1 4.14Å; F300-L304 WeakPolarHBondContact O-CB 3.45Å; F300-L304 PolarHBondContact O-N 3.24Å; F300-I464 HydrophobicContact CE2-CG2 4.42Å; F300-I464 HydrophobicContact CZ-CG2 3.89Å
301T89.3Confident89.9Confident4 Ų444.2 Ų44.23%0.02523%0.226CC..Hα-helixtrans-65-36176.655.60000111.8Y297 V298 M299 L304 V305Y297-T301 HydrophobicContact CD2-CG2 4.34Å; Y297-T301 HydrophobicContact CE1-CG2 4.3Å; Y297-T301 HydrophobicContact CE2-CG2 3.84Å; Y297-T301 WeakPolarHBondContact O-CG2 3.39Å; Y297-T301 PolarHBondContact O-N 3.1Å; Y297-T301 PolarHBondContact O-OG1 3.38Å; V298-T301 WeakPolarHBondContact CA-OG1 3.41Å; V298-T301 PolarHBondContact O-N 3.1Å; V298-T301 PolarHBondContact O-OG1 3.38Å; M299-T301 PolarHBondContact O-N 2.88Å; T301-L304 PolarHBondContact O-N 3.5Å; T301-V305 WeakPolarHBondContact O-CB 3.45Å; T301-V305 VanDerWaalsContact O-CG2 3.29Å; T301-V305 WeakPolarHBondContact O-CG2 3.22Å; T301-V305 PolarHBondContact O-N 3.43Å
302M90Very high90.3Very high48 Ų4838 Ų3824%0.23620%0.195CC..Hα-helixtrans-64.9-45.9176.2-175.6179.7174.400112.1L273 T274 V298 M299 F300 L304 V305 T306L273-M302 VanDerWaalsContact CD2-CA 3.43Å; L273-M302 HydrophobicContact CD2-CB 3.94Å; T274-M302 HydrophobicContact CG2-CE 4.07Å; V298-M302 VanDerWaalsContact O-CB 3.31Å; V298-M302 WeakPolarHBondContact O-CB 3.39Å; V298-M302 PolarHBondContact O-N 3.32Å; M299-M302 PolarHBondContact O-N 2.93Å; F300-M302 VanDerWaalsContact C-N 3.32Å; F300-M302 PolarHBondContact O-N 3.01Å; M302-L304 VanDerWaalsContact C-N 3.3Å; M302-L304 PolarHBondContact O-N 3.08Å; M302-V305 PolarHBondContact O-N 2.82Å; M302-T306 WeakPolarHBondContact O-CG2 3.34Å; M302-T306 PolarHBondContact O-N 3.47Å; M302-T306 PolarHBondContact O-OG1 3.45Å; M302-T306 VanDerWaalsContact O-OG1 3.1Å
303I91.5Very high90.4Very high89 Ų8941.1 Ų41.146%0.45621%0.213SC..Hα-helixtrans-60-45174.2-67.7166.4000109.8M299 F300 V305 T306 F307M299-I303 WeakPolarHBondContact O-CG1 3.32Å; M299-I303 PolarHBondContact O-N 3.29Å; F300-I303 PolarHBondContact O-N 3.46Å; I303-V305 PolarHBondContact O-N 2.89Å; I303-T306 WeakPolarHBondContact CA-OG1 3.37Å; I303-T306 PolarHBondContact O-N 3.38Å; I303-T306 PolarHBondContact O-OG1 2.95Å; I303-F307 HydrophobicContact CG2-CD2 3.69Å; I303-F307 HydrophobicContact CG2-CE2 3.55Å; I303-F307 WeakPolarHBondContact O-CD2 3.46Å; I303-F307 PolarHBondContact O-N 3.4Å
304L90.3Very high90.5Very high11 Ų1143.5 Ų43.56%0.05823%0.228CC..Hα-helixtrans-62.5-44.7178.9-172.9142.2000112.6F300 T301 M302 F307 S308 F461 I464 T465F300-L304 HydrophobicContact CE1-CD1 4.28Å; F300-L304 HydrophobicContact CZ-CD1 4.14Å; F300-L304 WeakPolarHBondContact O-CB 3.45Å; F300-L304 PolarHBondContact O-N 3.24Å; T301-L304 PolarHBondContact O-N 3.5Å; M302-L304 VanDerWaalsContact C-N 3.3Å; M302-L304 PolarHBondContact O-N 3.08Å; L304-F307 PolarHBondContact O-N 2.92Å; L304-S308 PolarHBondContact O-N 3.49Å; L304-F461 HydrophobicContact CD2-CD1 3.54Å; L304-F461 HydrophobicContact CD2-CE1 3.44Å; L304-F461 VanDerWaalsContact CD2-CE1 3.44Å; L304-F461 HydrophobicContact CG-CD1 3.96Å; L304-F461 HydrophobicContact CG-CE1 3.6Å; L304-F461 HydrophobicContact CG-CZ 4.45Å; L304-F461 VanDerWaalsContact O-CE1 3.3Å; L304-F461 WeakPolarHBondContact O-CE1 3.43Å; L304-I464 HydrophobicContact CD1-CB 4.42Å; L304-I464 HydrophobicContact CD1-CG2 3.69Å; L304-T465 HydrophobicContact CD1-CG2 3.51Å; L304-T465 HydrophobicContact CD2-CG2 3.58Å; L304-T465 HydrophobicContact CG-CG2 4.2Å
305V90.7Very high90.7Very high2 Ų243.1 Ų43.11%0.01223%0.226CC..Hα-helixtrans-65.5-41.7177.31720000111.3A249 V269 L270 L273 T301 M302 I303 F307 S308 V309A249-V305 HydrophobicContact CB-CG2 3.95Å; V269-V305 HydrophobicContact CG1-CG1 4.13Å; V269-V305 HydrophobicContact CG1-CG2 4.31Å; L270-V305 HydrophobicContact CB-CG1 3.98Å; L270-V305 HydrophobicContact CD1-CG1 4.01Å; L273-V305 HydrophobicContact CD2-CB 4.18Å; L273-V305 HydrophobicContact CD2-CG2 3.93Å; T301-V305 WeakPolarHBondContact O-CB 3.45Å; T301-V305 VanDerWaalsContact O-CG2 3.29Å; T301-V305 WeakPolarHBondContact O-CG2 3.22Å; T301-V305 PolarHBondContact O-N 3.43Å; M302-V305 PolarHBondContact O-N 2.82Å; I303-V305 PolarHBondContact O-N 2.89Å; V305-F307 PolarHBondContact O-N 3.45Å; V305-S308 WeakPolarHBondContact O-CA 3.47Å; V305-S308 VanDerWaalsContact O-CB 3.25Å; V305-S308 WeakPolarHBondContact O-CB 3.43Å; V305-S308 PolarHBondContact O-N 3.49Å; V305-V309 WeakPolarHBondContact O-CG2 3.24Å; V305-V309 PolarHBondContact O-N 2.84Å
306T91.3Very high90.8Very high49 Ų4943.6 Ų43.630%0.30123%0.227SC..Hα-helixtrans-61.1-42.8175.653.40000112.3L270 M302 I303 S308 V309 I310L270-T306 HydrophobicContact CD1-CG2 3.6Å; L270-T306 HydrophobicContact CD2-CG2 4.32Å; M302-T306 WeakPolarHBondContact O-CG2 3.34Å; M302-T306 PolarHBondContact O-N 3.47Å; M302-T306 PolarHBondContact O-OG1 3.45Å; M302-T306 VanDerWaalsContact O-OG1 3.1Å; I303-T306 WeakPolarHBondContact CA-OG1 3.37Å; I303-T306 PolarHBondContact O-N 3.38Å; I303-T306 PolarHBondContact O-OG1 2.95Å; T306-S308 VanDerWaalsContact C-N 3.28Å; T306-S308 PolarHBondContact O-N 3.11Å; T306-V309 PolarHBondContact O-N 3.3Å; T306-I310 WeakPolarHBondContact O-CG1 3.35Å; T306-I310 PolarHBondContact O-N 3.11Å
307F91.8Very high91Very high117 Ų11743.1 Ų43.151%0.51323%0.225SC..Hα-helixtrans-60.8-37.5170.8-82.2-66.9000112.1I303 L304 V305 V309 I310 L311 F461I303-F307 HydrophobicContact CG2-CD2 3.69Å; I303-F307 HydrophobicContact CG2-CE2 3.55Å; I303-F307 WeakPolarHBondContact O-CD2 3.46Å; I303-F307 PolarHBondContact O-N 3.4Å; L304-F307 PolarHBondContact O-N 2.92Å; V305-F307 PolarHBondContact O-N 3.45Å; F307-V309 PolarHBondContact O-N 3.22Å; F307-I310 PolarHBondContact O-N 2.91Å; F307-L311 VanDerWaalsContact O-CG 3.3Å; F307-L311 WeakPolarHBondContact O-CG 3.29Å; F307-L311 PolarHBondContact O-N 2.87Å; F307-F461 HydrophobicContact CB-CZ 4.34Å
308S91.2Very high91Very high2 Ų244 Ų441%0.01423%0.229CC..Hα-helixtrans-60.3-41.6175.7-179.20000112.9F253 L304 V305 T306 L311 S312F253-S308 VanDerWaalsContact CE2-OG 3.24Å; F253-S308 WeakPolarHBondContact CE2-OG 3.1Å; F253-S308 VanDerWaalsContact CZ-OG 3.28Å; F253-S308 WeakPolarHBondContact CZ-OG 3.4Å; L304-S308 PolarHBondContact O-N 3.49Å; V305-S308 WeakPolarHBondContact O-CA 3.47Å; V305-S308 VanDerWaalsContact O-CB 3.25Å; V305-S308 WeakPolarHBondContact O-CB 3.43Å; V305-S308 PolarHBondContact O-N 3.49Å; T306-S308 VanDerWaalsContact C-N 3.28Å; T306-S308 PolarHBondContact O-N 3.11Å; S308-L311 PolarHBondContact O-N 3.4Å; S308-S312 WeakPolarHBondContact O-CB 3.29Å; S308-S312 PolarHBondContact O-N 3.1Å; S308-S312 PolarHBondContact O-OG 3.43Å
309V91.9Very high91.1Very high24 Ų2445.1 Ų45.115%0.14523%0.234CC..Hα-helixtrans-61.9-47175.2-176.60000110.8M263 L270 V305 T306 F307 L311 S312 V313M263-V309 HydrophobicContact CE-CG1 4.4Å; L270-V309 HydrophobicContact CD2-CG2 4.47Å; V305-V309 WeakPolarHBondContact O-CG2 3.24Å; V305-V309 PolarHBondContact O-N 2.84Å; T306-V309 PolarHBondContact O-N 3.3Å; F307-V309 PolarHBondContact O-N 3.22Å; V309-L311 PolarHBondContact O-N 3.15Å; V309-S312 WeakPolarHBondContact O-CB 3.31Å; V309-S312 PolarHBondContact O-N 3.3Å; V309-V313 WeakPolarHBondContact O-CG2 3.29Å; V309-V313 PolarHBondContact O-N 3.45Å
310I92.6Very high91.2Very high101 Ų10147.1 Ų47.152%0.51824%0.242SC..Hα-helixtrans-59.8-47.3179.4-64.3168.4000110.7T306 F307 S312 V313 V314T306-I310 WeakPolarHBondContact O-CG1 3.35Å; T306-I310 PolarHBondContact O-N 3.11Å; F307-I310 PolarHBondContact O-N 2.91Å; I310-S312 VanDerWaalsContact C-N 3.31Å; I310-S312 PolarHBondContact O-N 3.32Å; I310-V313 WeakPolarHBondContact O-CB 3.3Å; I310-V313 PolarHBondContact O-N 3.21Å; I310-V314 WeakPolarHBondContact O-CG2 3.43Å; I310-V314 PolarHBondContact O-N 3.27Å; I310-V314 VanDerWaalsContact O-N 3.08Å
311L92.1Very high91.2Very high37 Ų3746.9 Ų46.919%0.19424%0.24CC..Hα-helixtrans-65.5-35.1178.5-65.3176.8000112F253 F307 S308 V309 V313 V314 V315 F457 F461F253-L311 HydrophobicContact CE1-CB 3.98Å; F253-L311 HydrophobicContact CZ-CB 4.18Å; F253-L311 HydrophobicContact CZ-CD1 4.36Å; F307-L311 VanDerWaalsContact O-CG 3.3Å; F307-L311 WeakPolarHBondContact O-CG 3.29Å; F307-L311 PolarHBondContact O-N 2.87Å; S308-L311 PolarHBondContact O-N 3.4Å; V309-L311 PolarHBondContact O-N 3.15Å; L311-V313 VanDerWaalsContact C-N 3.34Å; L311-V313 PolarHBondContact O-N 2.98Å; L311-V314 WeakPolarHBondContact O-CB 3.24Å; L311-V314 PolarHBondContact O-N 3.22Å; L311-V315 WeakPolarHBondContact O-CG2 3.47Å; L311-V315 PolarHBondContact O-N 3.11Å; L311-F457 HydrophobicContact CB-CD2 4.06Å; L311-F457 HydrophobicContact CB-CE2 4.1Å; L311-F457 HydrophobicContact CD1-CD1 3.97Å; L311-F457 HydrophobicContact CD1-CD2 4.3Å; L311-F457 HydrophobicContact CD1-CE1 4.23Å; L311-F457 HydrophobicContact CD1-CG 4.04Å; L311-F457 HydrophobicContact CD1-CZ 4.5Å; L311-F457 HydrophobicContact CD2-CD2 4.49Å; L311-F457 HydrophobicContact CD2-CE1 4.03Å; L311-F457 HydrophobicContact CD2-CE2 3.9Å; L311-F457 HydrophobicContact CD2-CZ 3.68Å; L311-F457 HydrophobicContact CG-CE2 4.38Å; L311-F457 HydrophobicContact CG-CZ 4.5Å; L311-F461 HydrophobicContact CD1-CE2 3.54Å; L311-F461 HydrophobicContact CD1-CZ 4.12Å
312S91.1Very high91.1Very high0 Ų049 Ų490%025%0.253CS..Hα-helixtrans-62.6-40174.2-65.10000112.1V252 S308 V309 I310 V314 V315 L316V252-S312 WeakPolarHBondContact CG1-OG 3.29Å; S308-S312 WeakPolarHBondContact O-CB 3.29Å; S308-S312 PolarHBondContact O-N 3.1Å; S308-S312 PolarHBondContact O-OG 3.43Å; V309-S312 WeakPolarHBondContact O-CB 3.31Å; V309-S312 PolarHBondContact O-N 3.3Å; I310-S312 VanDerWaalsContact C-N 3.31Å; I310-S312 PolarHBondContact O-N 3.32Å; S312-V314 VanDerWaalsContact C-N 3.34Å; S312-V315 PolarHBondContact O-N 3.47Å; S312-L316 WeakPolarHBondContact O-CB 3.5Å; S312-L316 PolarHBondContact O-N 3.26Å
313V92.3Very high90.7Very high72 Ų7248.8 Ų48.844%0.43626%0.255SS..Hα-helixtrans-62.4-41.5172.4175.40000111.1M263 V309 I310 L311 L316 N317M263-V313 HydrophobicContact CE-CG2 3.47Å; M263-V313 VanDerWaalsContact CE-CG2 3.47Å; M263-V313 HydrophobicContact SD-CG2 4.01Å; V309-V313 WeakPolarHBondContact O-CG2 3.29Å; V309-V313 PolarHBondContact O-N 3.45Å; I310-V313 WeakPolarHBondContact O-CB 3.3Å; I310-V313 PolarHBondContact O-N 3.21Å; L311-V313 VanDerWaalsContact C-N 3.34Å; L311-V313 PolarHBondContact O-N 2.98Å; V313-L316 PolarHBondContact O-N 3.04Å; V313-N317 WeakPolarHBondContact O-CB 3.41Å; V313-N317 PolarHBondContact O-N 3.4Å
314V92.4Very high90.3Very high65 Ų6549.8 Ų49.839%0.39427%0.27SS..Hα-helixtrans-63.8-45176.9173.70000111.3I310 L311 S312 L316 N317 L318I310-V314 WeakPolarHBondContact O-CG2 3.43Å; I310-V314 PolarHBondContact O-N 3.27Å; I310-V314 VanDerWaalsContact O-N 3.08Å; L311-V314 WeakPolarHBondContact O-CB 3.24Å; L311-V314 PolarHBondContact O-N 3.22Å; S312-V314 VanDerWaalsContact C-N 3.34Å; V314-L316 VanDerWaalsContact C-N 3.32Å; V314-L316 PolarHBondContact O-N 3.02Å; V314-N317 PolarHBondContact O-N 3.31Å; V314-L318 HydrophobicContact CG1-CD1 4.15Å; V314-L318 WeakPolarHBondContact O-CG 3.47Å; V314-L318 PolarHBondContact O-N 3.15Å
315V92.4Very high90.2Very high0 Ų053.6 Ų53.60%029%0.294CS..Hα-helixtrans-61.6-42.4176.7173.20000110.8P257 L311 S312 L318 H319 A450 V453 D454 F457P257-V315 HydrophobicContact CG-CG1 3.8Å; L311-V315 WeakPolarHBondContact O-CG2 3.47Å; L311-V315 PolarHBondContact O-N 3.11Å; S312-V315 PolarHBondContact O-N 3.47Å; V315-L318 PolarHBondContact O-N 3.38Å; V315-H319 WeakPolarHBondContact O-CB 3.46Å; V315-H319 PolarHBondContact O-N 3.05Å; V315-A450 HydrophobicContact CG1-CB 4.39Å; V315-V453 HydrophobicContact CG2-CG1 3.99Å; V315-D454 HydrophobicContact CG1-CB 4.14Å; V315-D454 HydrophobicContact CG2-CB 4.48Å; V315-F457 HydrophobicContact CG2-CD2 3.99Å; V315-F457 HydrophobicContact CG2-CE2 4.06Å
316L91.8Very high90.1Very high49 Ų4957.2 Ų57.226%0.25731%0.31SS..Hα-helixtrans-65-42.5176.6-170.567.1000111.6P257 M263 S312 V313 V314 L318 H319 H320P257-L316 HydrophobicContact CB-CD1 4.29Å; M263-L316 HydrophobicContact CG-CD2 3.85Å; M263-L316 HydrophobicContact SD-CD2 4.27Å; S312-L316 WeakPolarHBondContact O-CB 3.5Å; S312-L316 PolarHBondContact O-N 3.26Å; V313-L316 PolarHBondContact O-N 3.04Å; V314-L316 VanDerWaalsContact C-N 3.32Å; V314-L316 PolarHBondContact O-N 3.02Å; L316-L318 VanDerWaalsContact C-N 3.3Å; L316-L318 PolarHBondContact O-N 3.29Å; L316-H319 PolarHBondContact O-N 2.94Å; L316-H320 PolarHBondContact O-CD2 2.95Å; L316-H320 PolarHBondContact O-N 3.31Å; L316-H320 VanDerWaalsContact O-N 3.1Å
317N91.9Very high89.9Confident82 Ų8262.6 Ų62.644%0.43934%0.335SS..Hα-helixtrans-58.9-43174.4-177.9-93.6000111.3V313 V314 R321V313-N317 WeakPolarHBondContact O-CB 3.41Å; V313-N317 PolarHBondContact O-N 3.4Å; V314-N317 PolarHBondContact O-N 3.31Å; N317-R321 WeakPolarHBondContact O-CG 3.36Å; N317-R321 PolarHBondContact O-N 3.2Å; N317-R321 PolarHBondContact OD1-NE 3.08Å; N317-R321 PolarHBondContact OD1-NH2 3.28Å
318L90.3Very high89.5Confident22 Ų2258.1 Ų58.112%0.11532%0.317CS..Hα-helixtrans-66-39.7177-71169.6000112.4V314 V315 L316 R321 W446 A450 V453V314-L318 HydrophobicContact CG1-CD1 4.15Å; V314-L318 WeakPolarHBondContact O-CG 3.47Å; V314-L318 PolarHBondContact O-N 3.15Å; V315-L318 PolarHBondContact O-N 3.38Å; L316-L318 VanDerWaalsContact C-N 3.3Å; L316-L318 PolarHBondContact O-N 3.29Å; L318-R321 PolarHBondContact O-N 3.15Å; L318-W446 HydrophobicContact CD2-CE3 4.31Å; L318-W446 HydrophobicContact CD2-CZ3 3.83Å; L318-A450 HydrophobicContact CB-CB 4.02Å; L318-V453 HydrophobicContact CD1-CB 4.47Å; L318-V453 HydrophobicContact CD1-CG1 4.27Å; L318-V453 HydrophobicContact CD1-CG2 4.16Å
319H90.6Very high89.4Confident27 Ų2760.5 Ų60.513%0.12533%0.332CS..Hα-helixtrans-65.7-38.7-179.2-179.7-94000112.9P257 V315 L316 R321 A450P257-H319 HydrophobicContact CB-CB 3.87Å; P257-H319 HydrophobicContact CG-CB 4.32Å; V315-H319 WeakPolarHBondContact O-CB 3.46Å; V315-H319 PolarHBondContact O-N 3.05Å; L316-H319 PolarHBondContact O-N 2.94Å; H319-R321 VanDerWaalsContact C-N 3.32Å; H319-R321 PolarHBondContact O-N 3Å; H319-A450 HydrophobicContact CB-CB 3.83Å
320H89.4Confident89.1Confident122 Ų12267.3 Ų67.357%0.56536%0.362SS*.THydrogen-bonded Turntrans-88.510.1-179.9-71.9-78.1000114.1L316L316-H320 PolarHBondContact O-CD2 2.95Å; L316-H320 PolarHBondContact O-N 3.31Å; L316-H320 VanDerWaalsContact O-N 3.1Å
321R89.9Confident89Confident62 Ų6270.5 Ų70.523%0.23437%0.367CS..  trans-70.9133173.8-82.6172.5-167.2-166.31.4111.4N317 L318 H319 H326 W446N317-R321 WeakPolarHBondContact O-CG 3.36Å; N317-R321 PolarHBondContact O-N 3.2Å; N317-R321 PolarHBondContact OD1-NE 3.08Å; N317-R321 PolarHBondContact OD1-NH2 3.28Å; L318-R321 PolarHBondContact O-N 3.15Å; H319-R321 VanDerWaalsContact C-N 3.32Å; H319-R321 PolarHBondContact O-N 3Å; R321-H326 HydrophobicContact CG-CB 4.37Å; R321-W446 HydrophobicContact CB-CB 4.44Å; R321-W446 HydrophobicContact CB-CD2 3.8Å; R321-W446 HydrophobicContact CB-CE3 4.11Å; R321-W446 HydrophobicContact CB-CG 3.96Å
322T86.9Confident88.8Confident48 Ų4869.3 Ų69.329%0.29436%0.362SS..  trans-115.4153.7175.956.70000110.7S324 T325 H326 T443T322-S324 PolarHBondContact O-N 3.34Å; T322-S324 VanDerWaalsContact O-N 3.16Å; T322-S324 PolarHBondContact OG1-OG 3.25Å; T322-T325 PolarHBondContact O-N 3.14Å; T322-T325 VanDerWaalsContact O-N 3.07Å; T322-T325 PolarHBondContact O-OG1 3.28Å; T322-T325 VanDerWaalsContact O-OG1 3.05Å; T322-T325 PolarHBondContact OG1-OG1 2.9Å; T322-T325 VanDerWaalsContact OG1-OG1 3.1Å; T322-H326 PolarHBondContact O-N 3.39Å; T322-H326 VanDerWaalsContact O-N 3.08Å; T322-T443 HydrophobicContact CG2-CG2 4.45Å
323P82.8Confident88.5Confident43 Ų4372.7 Ų72.728%0.27937%0.374SS..THydrogen-bonded Turntrans-61.3-22.5176.824.2-33.8000113.3T325 D439 M442 T443P323-T325 VanDerWaalsContact C-N 3.35Å; P323-D439 HydrophobicContact CG-CB 3.97Å; P323-M442 HydrophobicContact CB-CB 4.29Å; P323-M442 HydrophobicContact CG-CB 4.39Å; P323-T443 HydrophobicContact CG-CG2 4.45Å
324S83.1Confident88.2Confident110 Ų11075.8 Ų75.877%0.76938%0.382SS*.THydrogen-bonded Turntrans-72.2-24.7175.754.20000114T322T322-S324 PolarHBondContact O-N 3.34Å; T322-S324 VanDerWaalsContact O-N 3.16Å; T322-S324 PolarHBondContact OG1-OG 3.25Å
325T87.6Confident87.9Confident92 Ų9275.2 Ų75.256%0.56438%0.378SS*.THydrogen-bonded Turntrans-103.9-36.7-177.356.70000112.6T322 P323T322-T325 PolarHBondContact O-N 3.14Å; T322-T325 VanDerWaalsContact O-N 3.07Å; T322-T325 PolarHBondContact O-OG1 3.28Å; T322-T325 VanDerWaalsContact O-OG1 3.05Å; T322-T325 PolarHBondContact OG1-OG1 2.9Å; T322-T325 VanDerWaalsContact OG1-OG1 3.1Å; P323-T325 VanDerWaalsContact C-N 3.35Å
326H88.5Confident87.6Confident78 Ų7877.2 Ų77.236%0.36139%0.387SS..  trans-136132.8-172.7-66.278.1000112R321 T322 W446R321-H326 HydrophobicContact CG-CB 4.37Å; T322-H326 PolarHBondContact O-N 3.39Å; T322-H326 VanDerWaalsContact O-N 3.08Å; H326-W446 HydrophobicContact CB-CZ2 4.29Å
327I86.4Confident87.2Confident161 Ų16175.7 Ų75.783%0.82638%0.379SS*.PPolyproline II helixtrans-88.6129.3172-57.6170000108.4P329I327-P329 VanDerWaalsContact O-CD 3.27Å; I327-P329 WeakPolarHBondContact O-CD 3.31Å
328M85.1Confident86.7Confident24 Ų2477.8 Ų77.812%0.11839%0.386CS..PPolyproline II helixtrans-77.8117.6179.3-176.515461.900111.4V332 R333 I337 D445 W446 I449M328-V332 HydrophobicContact CG-CB 4.4Å; M328-V332 HydrophobicContact CG-CG1 4.39Å; M328-V332 HydrophobicContact SD-CG1 4.45Å; M328-R333 HydrophobicContact CE-CB 4.41Å; M328-R333 HydrophobicContact CE-CG 4.48Å; M328-I337 HydrophobicContact CE-CD1 4.28Å; M328-D445 HydrophobicContact CE-CB 3.9Å; M328-W446 HydrophobicContact CB-CH2 4.49Å; M328-W446 HydrophobicContact CB-CZ2 3.75Å; M328-W446 HydrophobicContact CG-CH2 4.48Å; M328-W446 HydrophobicContact CG-CZ2 4.16Å; M328-W446 HydrophobicContact SD-CZ2 4.49Å; M328-I449 HydrophobicContact CE-CD1 4.44Å; M328-I449 HydrophobicContact SD-CD1 3.26Å; M328-I449 WeakPolarHBondContact SD-CD1 3.42Å
329P88.8Confident86.3Confident52 Ų5280.4 Ų80.434%0.33840%0.399SS..PPolyproline II helixtrans-64.8145.7176.3-17.930.8000111.8I327 W331 V332 R333I327-P329 VanDerWaalsContact O-CD 3.27Å; I327-P329 WeakPolarHBondContact O-CD 3.31Å; P329-W331 HydrophobicContact CB-CG 4.3Å; P329-W331 PolarHBondContact O-N 3.44Å; P329-V332 HydrophobicContact CB-CB 4.49Å; P329-V332 HydrophobicContact CB-CG2 3.99Å; P329-V332 HydrophobicContact CG-CG2 3.83Å; P329-V332 WeakPolarHBondContact O-CB 3.41Å; P329-V332 PolarHBondContact O-N 3.41Å; P329-V332 VanDerWaalsContact O-N 3.12Å; P329-R333 PolarHBondContact O-N 3.02Å
330H85.4Confident86Confident166 Ų16680.5 Ų80.577%0.76940%0.401SS*.Hα-helixtrans-60.5-33.3179.7-73.2-70.2000113.3R333 K334H330-R333 PolarHBondContact O-N 2.88Å; H330-K334 PolarHBondContact O-N 3.42Å
331W89.7Confident85.7Confident168 Ų16875 Ų7564%0.63638%0.376SS*.Hα-helixtrans-67.6-38.8177.371.7-99.1000111.9P329 R333 K334 V335 F336P329-W331 HydrophobicContact CB-CG 4.3Å; P329-W331 PolarHBondContact O-N 3.44Å; W331-R333 VanDerWaalsContact C-N 3.35Å; W331-R333 PolarHBondContact O-N 2.92Å; W331-K334 PolarHBondContact O-N 3.36Å; W331-V335 WeakPolarHBondContact O-CG2 3.35Å; W331-V335 PolarHBondContact O-N 3.43Å; W331-F336 HydrophobicContact CZ3-CE2 4.25Å
332V87.9Confident85.3Confident13 Ų1382.8 Ų82.88%0.07941%0.405CS..Hα-helixtrans-61.2-47.1177175.60000109.6M328 P329 K334 V335 F336 I449M328-V332 HydrophobicContact CG-CB 4.4Å; M328-V332 HydrophobicContact CG-CG1 4.39Å; M328-V332 HydrophobicContact SD-CG1 4.45Å; P329-V332 HydrophobicContact CB-CB 4.49Å; P329-V332 HydrophobicContact CB-CG2 3.99Å; P329-V332 HydrophobicContact CG-CG2 3.83Å; P329-V332 WeakPolarHBondContact O-CB 3.41Å; P329-V332 PolarHBondContact O-N 3.41Å; P329-V332 VanDerWaalsContact O-N 3.12Å; V332-K334 VanDerWaalsContact C-N 3.34Å; V332-K334 PolarHBondContact O-N 2.94Å; V332-V335 PolarHBondContact O-N 2.95Å; V332-F336 HydrophobicContact CB-CD2 4.47Å; V332-F336 HydrophobicContact CG1-CD2 3.79Å; V332-F336 HydrophobicContact CG1-CE2 4.4Å; V332-F336 WeakPolarHBondContact O-CB 3.19Å; V332-F336 WeakPolarHBondContact O-CD2 3.06Å; V332-F336 PolarHBondContact O-N 3.26Å; V332-I449 HydrophobicContact CG1-CD1 4.01Å; V332-I449 HydrophobicContact CG1-CG2 4.5Å
333R85.2Confident85.1Confident70 Ų7089.8 Ų89.826%0.26443%0.428SS..Hα-helixtrans-58.2-45.4176-174.5-177-74.1-87.82.2111.2M328 P329 H330 W331 I337 M442 D445M328-R333 HydrophobicContact CE-CB 4.41Å; M328-R333 HydrophobicContact CE-CG 4.48Å; P329-R333 PolarHBondContact O-N 3.02Å; H330-R333 PolarHBondContact O-N 2.88Å; W331-R333 VanDerWaalsContact C-N 3.35Å; W331-R333 PolarHBondContact O-N 2.92Å; R333-I337 HydrophobicContact CB-CD1 4.43Å; R333-I337 HydrophobicContact CG-CD1 3.82Å; R333-I337 VanDerWaalsContact O-CB 3.24Å; R333-I337 WeakPolarHBondContact O-CB 3.39Å; R333-I337 PolarHBondContact O-N 3.45Å; R333-I337 VanDerWaalsContact O-N 3.14Å; R333-M442 PolarHBondContact NH2-SD 3.46Å; R333-D445 IonicContact CZ-OD2 3.41Å; R333-D445 IonicContact NH1-OD2 2.75Å; R333-D445 PolarHBondContact NH1-OD2 3.4Å; R333-D445 IonicContact NH2-OD2 3.32Å; R333-D445 PolarHBondContact NH2-OD2 3.31Å
334K85.3Confident85Confident138 Ų13889.3 Ų89.360%0.642%0.422SS*.Iπ-helixtrans-64.4-46180-165175.3-178.4-179.30112.4H330 W331 V332 H338 I339H330-K334 PolarHBondContact O-N 3.42Å; W331-K334 PolarHBondContact O-N 3.36Å; V332-K334 VanDerWaalsContact C-N 3.34Å; V332-K334 PolarHBondContact O-N 2.94Å; K334-H338 WeakPolarHBondContact O-CB 3.33Å; K334-H338 PolarHBondContact O-N 3.46Å; K334-I339 HydrophobicContact CG-CD1 4.32Å; K334-I339 PolarHBondContact O-N 3.38Å
335V87.6Confident84.6Confident52 Ų5287.5 Ų87.532%0.31542%0.421SS..Iπ-helixtrans-71.6-56.8-176.8174.60000111.2W331 V332 I339 L340W331-V335 WeakPolarHBondContact O-CG2 3.35Å; W331-V335 PolarHBondContact O-N 3.43Å; V332-V335 PolarHBondContact O-N 2.95Å; V335-I339 PolarHBondContact O-N 3.01Å; V335-L340 WeakPolarHBondContact O-CB 3.41Å; V335-L340 PolarHBondContact O-N 3.1Å
336F86.1Confident84.2Confident42 Ų4285.3 Ų85.318%0.18441%0.405CS..Iπ-helixtrans-83.3-21.1-169.2-69-79.3000114.5W331 V332 L340 P341 I449 V452 V453W331-F336 HydrophobicContact CZ3-CE2 4.25Å; V332-F336 HydrophobicContact CB-CD2 4.47Å; V332-F336 HydrophobicContact CG1-CD2 3.79Å; V332-F336 HydrophobicContact CG1-CE2 4.4Å; V332-F336 WeakPolarHBondContact O-CB 3.19Å; V332-F336 WeakPolarHBondContact O-CD2 3.06Å; V332-F336 PolarHBondContact O-N 3.26Å; F336-L340 HydrophobicContact CD1-CD2 3.69Å; F336-L340 HydrophobicContact CE1-CD2 3.8Å; F336-P341 VanDerWaalsContact O-CD 3.23Å; F336-P341 WeakPolarHBondContact O-CD 3.37Å; F336-P341 WeakPolarHBondContact O-CG 3.1Å; F336-I449 HydrophobicContact CB-CB 4.32Å; F336-I449 HydrophobicContact CB-CG1 3.87Å; F336-I449 HydrophobicContact CB-CG2 3.85Å; F336-I449 HydrophobicContact CD1-CG2 4.34Å; F336-I449 HydrophobicContact CD2-CG2 4.35Å; F336-I449 HydrophobicContact CG-CG2 3.93Å; F336-V452 HydrophobicContact CD1-CG1 4.37Å; F336-V453 HydrophobicContact CD1-CG2 3.61Å; F336-V453 HydrophobicContact CE1-CG2 3.35Å; F336-V453 HydrophobicContact CZ-CG2 4.1Å
337I82.8Confident83.3Confident18 Ų1889.5 Ų89.59%0.09243%0.427CS..Iπ-helixtrans-99.9-34.2178.8-59.9169.9000112M328 R333 D445 F448 I449M328-I337 HydrophobicContact CE-CD1 4.28Å; R333-I337 HydrophobicContact CB-CD1 4.43Å; R333-I337 HydrophobicContact CG-CD1 3.82Å; R333-I337 VanDerWaalsContact O-CB 3.24Å; R333-I337 WeakPolarHBondContact O-CB 3.39Å; R333-I337 PolarHBondContact O-N 3.45Å; R333-I337 VanDerWaalsContact O-N 3.14Å; I337-D445 HydrophobicContact CD1-CB 4.2Å; I337-F448 HydrophobicContact CG1-CD1 4.42Å; I337-I449 HydrophobicContact CD1-CD1 4.07Å; I337-I449 HydrophobicContact CD1-CG1 4.25Å; I337-I449 HydrophobicContact CG1-CD1 4.24Å; I337-I449 HydrophobicContact CG1-CG1 3.93Å
338H80.7Confident82.6Confident125 Ų12585.3 Ų85.358%0.57940%0.401SS*.Iπ-helixtrans-107.6-36.9-172.7-61.8-67.8000114.7K334K334-H338 WeakPolarHBondContact O-CB 3.33Å; K334-H338 PolarHBondContact O-N 3.46Å
339I83.3Confident81.5Confident77 Ų7789 Ų8940%0.39543%0.426SS..Iπ-helixtrans-92.8-57.6-174.1-62.1170.8000110.6K334 V335 R342 Y343K334-I339 HydrophobicContact CG-CD1 4.32Å; K334-I339 PolarHBondContact O-N 3.38Å; V335-I339 PolarHBondContact O-N 3.01Å; I339-R342 PolarHBondContact O-N 2.75Å; I339-Y343 HydrophobicContact CG2-CD2 4.22Å; I339-Y343 HydrophobicContact CG2-CE2 3.87Å; I339-Y343 WeakPolarHBondContact O-CD2 3.47Å
340L83.6Confident79.8Confident29 Ų2993 Ų9315%0.15245%0.445CS..Hα-helixtrans-67.3-39.9-169.3-152.871.2000115V335 F336 R342 Y343 I344 V452 L456V335-L340 WeakPolarHBondContact O-CB 3.41Å; V335-L340 PolarHBondContact O-N 3.1Å; F336-L340 HydrophobicContact CD1-CD2 3.69Å; F336-L340 HydrophobicContact CE1-CD2 3.8Å; L340-R342 PolarHBondContact O-N 3.36Å; L340-Y343 PolarHBondContact O-N 2.91Å; L340-Y343 VanDerWaalsContact O-N 3.07Å; L340-I344 HydrophobicContact CD2-CD1 4.03Å; L340-I344 HydrophobicContact CG-CD1 3.76Å; L340-I344 WeakPolarHBondContact O-CG1 3.25Å; L340-I344 PolarHBondContact O-N 2.92Å; L340-I344 VanDerWaalsContact O-N 3.1Å; L340-V452 HydrophobicContact CB-CG1 4Å; L340-V452 HydrophobicContact CD2-CG1 3.61Å; L340-V452 HydrophobicContact CG-CG1 4.08Å; L340-L456 HydrophobicContact CD1-CD1 3.82Å; L340-L456 HydrophobicContact CD2-CB 4.42Å; L340-L456 HydrophobicContact CD2-CD1 3.46Å; L340-L456 VanDerWaalsContact CD2-CD1 3.46Å; L340-L456 HydrophobicContact CG-CD1 4.08Å
341P82.8Confident78.2Confident7 Ų790.1 Ų90.15%0.04543%0.432CS..Hα-helixtrans-61.6-29.9178.8-24.936.4000113.1F336 Y343 I344 G345 M346 F448 V452F336-P341 VanDerWaalsContact O-CD 3.23Å; F336-P341 WeakPolarHBondContact O-CD 3.37Å; F336-P341 WeakPolarHBondContact O-CG 3.1Å; P341-Y343 VanDerWaalsContact C-N 3.34Å; P341-I344 PolarHBondContact O-N 3.49Å; P341-G345 PolarHBondContact O-N 3.22Å; P341-M346 HydrophobicContact CB-CB 4.29Å; P341-M346 WeakPolarHBondContact CB-O 3.23Å; P341-M346 PolarHBondContact O-N 3.01Å; P341-F448 HydrophobicContact CB-CE1 4.44Å; P341-F448 HydrophobicContact CB-CZ 4.23Å; P341-F448 HydrophobicContact CG-CE1 3.83Å; P341-F448 HydrophobicContact CG-CZ 4.11Å; P341-V452 HydrophobicContact CG-CG1 4.2Å; P341-V452 HydrophobicContact CG-CG2 3.87Å
342R80.9Confident75.9Confident225 Ų22588.3 Ų88.385%0.84943%0.434SS*.Hα-helixtrans-68-33.6176.9-165.8173.1-173.8152.61.2112.3I339 L340I339-R342 PolarHBondContact O-N 2.75Å; L340-R342 PolarHBondContact O-N 3.36Å
343Y83.2Confident73.6Confident195 Ų19591 Ų9177%0.76545%0.453SS*.Hα-helixtrans-77-34174.8-74.3-77.5000112.6I339 L340 P341 G345I339-Y343 HydrophobicContact CG2-CD2 4.22Å; I339-Y343 HydrophobicContact CG2-CE2 3.87Å; I339-Y343 WeakPolarHBondContact O-CD2 3.47Å; L340-Y343 PolarHBondContact O-N 2.91Å; L340-Y343 VanDerWaalsContact O-N 3.07Å; P341-Y343 VanDerWaalsContact C-N 3.34Å; Y343-G345 VanDerWaalsContact C-N 3.34Å
344I80.3Confident71.8Confident33 Ų3391.7 Ų91.717%0.16947%0.467CS..Hα-helixtrans-88.5-3.8-177.6-53.4168.6000111.9L340 P341 M346 V452 R455 L456L340-I344 HydrophobicContact CD2-CD1 4.03Å; L340-I344 HydrophobicContact CG-CD1 3.76Å; L340-I344 WeakPolarHBondContact O-CG1 3.25Å; L340-I344 PolarHBondContact O-N 2.92Å; L340-I344 VanDerWaalsContact O-N 3.1Å; P341-I344 PolarHBondContact O-N 3.49Å; I344-M346 VanDerWaalsContact C-N 3.34Å; I344-M346 HydrophobicContact CB-CE 3.98Å; I344-M346 HydrophobicContact CD1-CE 4.37Å; I344-M346 HydrophobicContact CG2-CE 3.56Å; I344-V452 HydrophobicContact CD1-CG1 4.13Å; I344-R455 HydrophobicContact CG2-CB 3.67Å; I344-L456 HydrophobicContact CD1-CB 3.91Å
345G75.7Confident69.9Low72 Ų7293.3 Ų93.374%0.74247%0.469SS*.THydrogen-bonded Turntrans73.722.4179.500000114.1P341 Y343P341-G345 PolarHBondContact O-N 3.22Å; Y343-G345 VanDerWaalsContact C-N 3.34Å
346M78.7Confident67.7Low47 Ų4798.7 Ų98.723%0.23249%0.488CS..PPolyproline II helixtrans-95.2127.8175.6-80.9-173.9-81.900111.2P341 I344 V452 R455P341-M346 HydrophobicContact CB-CB 4.29Å; P341-M346 WeakPolarHBondContact CB-O 3.23Å; P341-M346 PolarHBondContact O-N 3.01Å; I344-M346 VanDerWaalsContact C-N 3.34Å; I344-M346 HydrophobicContact CB-CE 3.98Å; I344-M346 HydrophobicContact CD1-CE 4.37Å; I344-M346 HydrophobicContact CG2-CE 3.56Å; M346-V452 HydrophobicContact CE-CB 4.32Å; M346-V452 HydrophobicContact CE-CG2 4.06Å; M346-R455 HydrophobicContact CE-CB 3.43Å; M346-R455 VanDerWaalsContact CE-CB 3.43Å; M346-R455 HydrophobicContact CE-CG 3.4Å; M346-R455 VanDerWaalsContact CE-CG 3.4Å; M346-R455 HydrophobicContact SD-CB 4.48Å; M346-R455 HydrophobicContact SD-CG 3.8Å
347M69.7Low65.6Low165 Ų165101.9 Ų101.981%0.81351%0.507SS*.PPolyproline II helixtrans-101.8129.9170.3-159.7165.979.300109.2P349M347-P349 WeakPolarHBondContact O-CD 3.49Å
348R70.9Confident64.1Low74 Ų74104.4 Ų104.428%0.27952%0.52SS..PPolyproline II helixtrans-60126.4172.1-175.3179.2176.5147.73.3107.8N350 D445 F448R348-N350 PolarHBondContact O-N 3.02Å; R348-N350 VanDerWaalsContact O-N 3.11Å; R348-D445 IonicContact CZ-OD1 3.12Å; R348-D445 IonicContact NH1-OD1 2.77Å; R348-D445 PolarHBondContact NH1-OD1 3.16Å; R348-D445 IonicContact NH2-OD1 2.71Å; R348-D445 PolarHBondContact NH2-OD1 3.1Å; R348-F448 HydrophobicContact CB-CE2 4.3Å; R348-F448 HydrophobicContact CB-CZ 4.15Å
349P62.8Low62.4Low100 Ų100107.1 Ų107.165%0.64953%0.525SS*.PPolyproline II helixtrans-58121.9169.821-28.3000107.6M347 Q351M347-P349 WeakPolarHBondContact O-CD 3.49Å; P349-Q351 PolarHBondContact O-N 3.43Å
350N52.9Low60.7Low136 Ų136107.1 Ų107.173%0.72753%0.529SS*.  trans-56.2113.5-177.9-89.5-22.2000108.6R348 N352R348-N350 PolarHBondContact O-N 3.02Å; R348-N350 VanDerWaalsContact O-N 3.11Å; N350-N352 PolarHBondContact O-N 2.79Å
351Q52.8Low59.1Low107 Ų107112.3 Ų112.350%0.555%0.553SS.*  trans-65.689.2160.6-83.3176.4-22.100106.3P349 C353P349-Q351 PolarHBondContact O-N 3.43Å; Q351-C353 PolarHBondContact O-N 2.63Å
352N40.1Very low57.7Low129 Ų129116.9 Ų116.969%0.6958%0.575SS**  trans-64.289.9159.8-72.2-15.5000105.8N350 P354N350-N352 PolarHBondContact O-N 2.79Å; N352-P354 WeakPolarHBondContact O-CD 3.3Å; N352-P354 VanDerWaalsContact O-N 3.09Å
353C40.9Very low56.4Low69 Ų69110.8 Ų110.847%0.46656%0.559SS.*  trans-58.1113.3165.2-700000106.8Q351 W355 K356Q351-C353 PolarHBondContact O-N 2.63Å; C353-W355 PolarHBondContact O-N 2.83Å; C353-W355 VanDerWaalsContact O-N 3.09Å; C353-K356 HydrophobicContact CB-CB 4.45Å; C353-K356 PolarHBondContact O-N 2.88Å
354P45.9Very low54.7Low86 Ų86108.8 Ų108.856%0.55855%0.554SS**Hα-helixtrans-56.6-32.2179.6-21.533000111N352 K356 N357 I358N352-P354 WeakPolarHBondContact O-CD 3.3Å; N352-P354 VanDerWaalsContact O-N 3.09Å; P354-K356 VanDerWaalsContact C-N 3.32Å; P354-K356 PolarHBondContact O-N 3.28Å; P354-N357 PolarHBondContact O-N 2.68Å; P354-I358 WeakPolarHBondContact O-CG1 3.28Å; P354-I358 PolarHBondContact O-N 2.83Å; P354-I358 VanDerWaalsContact O-N 3.15Å
355W45.7Very low53.1Low171 Ų171112.7 Ų112.765%0.64858%0.575SS**Hα-helixtrans-63.9-26179.4-59.8104.7000115.6C353 I358 R359C353-W355 PolarHBondContact O-N 2.83Å; C353-W355 VanDerWaalsContact O-N 3.09Å; W355-I358 HydrophobicContact CE3-CD1 4.44Å; W355-R359 WeakPolarHBondContact O-CB 3.42Å; W355-R359 PolarHBondContact O-N 2.97Å
356K41.5Very low51.9Low165 Ų165117 Ų11772%0.71757%0.574SS**Hα-helixtrans-70.7-44.3178.6-127.8177.8-175.1178.30109.8C353 P354 R359 T360C353-K356 HydrophobicContact CB-CB 4.45Å; C353-K356 PolarHBondContact O-N 2.88Å; P354-K356 VanDerWaalsContact C-N 3.32Å; P354-K356 PolarHBondContact O-N 3.28Å; K356-R359 PolarHBondContact O-N 2.98Å; K356-T360 PolarHBondContact O-N 3.39Å; K356-T360 VanDerWaalsContact O-N 3.12Å; K356-T360 PolarHBondContact O-OG1 3.22Å
357N42.1Very low50.3Low110 Ų110122.4 Ų122.459%0.58860%0.596SS**Hα-helixtrans-65-45.1175.7-72.8-7.1000111.5P354 R359 T360 E361P354-N357 PolarHBondContact O-N 2.68Å; N357-R359 VanDerWaalsContact C-N 3.34Å; N357-R359 PolarHBondContact O-N 3.14Å; N357-T360 WeakPolarHBondContact CA-OG1 3.41Å; N357-T360 CarbonylContact O-C 3.59Å; N357-T360 PolarHBondContact O-N 3.19Å; N357-T360 VanDerWaalsContact O-N 3.12Å; N357-T360 PolarHBondContact O-OG1 3.18Å; N357-E361 PolarHBondContact O-N 3Å
358I51.3Low48.9Very low71 Ų71118 Ų11836%0.36458%0.581SS.*Hα-helixtrans-59.8-41.8176.6-64.8163.7000111.5P354 W355 T360 E361 I362P354-I358 WeakPolarHBondContact O-CG1 3.28Å; P354-I358 PolarHBondContact O-N 2.83Å; P354-I358 VanDerWaalsContact O-N 3.15Å; W355-I358 HydrophobicContact CE3-CD1 4.44Å; I358-T360 PolarHBondContact O-N 3.18Å; I358-E361 PolarHBondContact O-N 3.42Å; I358-I362 HydrophobicContact CG2-CD1 3.6Å; I358-I362 HydrophobicContact CG2-CG1 4.22Å; I358-I362 WeakPolarHBondContact O-CB 3.47Å; I358-I362 VanDerWaalsContact O-CG1 3.24Å; I358-I362 WeakPolarHBondContact O-CG1 3.25Å; I358-I362 PolarHBondContact O-N 3.33Å
359R44.6Very low47.4Very low181 Ų181122 Ų12268%0.68360%0.603SS**Hα-helixtrans-65.5-38.1176.4-167.8179.7-68.5-165.6-1111.8W355 K356 N357 I363W355-R359 WeakPolarHBondContact O-CB 3.42Å; W355-R359 PolarHBondContact O-N 2.97Å; K356-R359 PolarHBondContact O-N 2.98Å; N357-R359 VanDerWaalsContact C-N 3.34Å; N357-R359 PolarHBondContact O-N 3.14Å; R359-I363 HydrophobicContact CG-CD1 3.86Å; R359-I363 VanDerWaalsContact O-CB 3.3Å; R359-I363 WeakPolarHBondContact O-CB 3.34Å; R359-I363 WeakPolarHBondContact O-CD1 3.43Å; R359-I363 WeakPolarHBondContact O-CG1 3.43Å; R359-I363 PolarHBondContact O-N 2.99Å
360T49.2Very low46.3Very low77 Ų77124.4 Ų124.447%0.47261%0.61SS.*Hα-helixtrans-68-34172.88.60000113.1K356 N357 I358 K364K356-T360 PolarHBondContact O-N 3.39Å; K356-T360 VanDerWaalsContact O-N 3.12Å; K356-T360 PolarHBondContact O-OG1 3.22Å; N357-T360 WeakPolarHBondContact CA-OG1 3.41Å; N357-T360 CarbonylContact O-C 3.59Å; N357-T360 PolarHBondContact O-N 3.19Å; N357-T360 VanDerWaalsContact O-N 3.12Å; N357-T360 PolarHBondContact O-OG1 3.18Å; I358-T360 PolarHBondContact O-N 3.18Å; T360-K364 VanDerWaalsContact O-CB 3.28Å; T360-K364 WeakPolarHBondContact O-CB 3.29Å; T360-K364 WeakPolarHBondContact O-CG 3.37Å; T360-K364 PolarHBondContact O-N 2.95Å
361E48.9Very low45.5Very low139 Ų139123.8 Ų123.865%0.6561%0.611SS**Hα-helixtrans-70.4-45.6174.2-74.7-161.5161.900111.6N357 I358 I363 K364 D365N357-E361 PolarHBondContact O-N 3Å; I358-E361 PolarHBondContact O-N 3.42Å; E361-I363 VanDerWaalsContact C-N 3.3Å; E361-I363 PolarHBondContact O-N 3.45Å; E361-K364 PolarHBondContact O-N 3.43Å; E361-K364 VanDerWaalsContact O-N 3.11Å; E361-D365 PolarHBondContact O-N 3.04Å
362I52.8Low44.8Very low102 Ų102123.2 Ų123.252%0.52362%0.619SS.*Hα-helixtrans-62-37175.1-65.7168.1000111.5I358 K366I358-I362 HydrophobicContact CG2-CD1 3.6Å; I358-I362 HydrophobicContact CG2-CG1 4.22Å; I358-I362 WeakPolarHBondContact O-CB 3.47Å; I358-I362 VanDerWaalsContact O-CG1 3.24Å; I358-I362 WeakPolarHBondContact O-CG1 3.25Å; I358-I362 PolarHBondContact O-N 3.33Å; I362-K366 PolarHBondContact O-N 3.06Å; I362-K366 VanDerWaalsContact O-N 3.07Å
363I55Low44.5Very low97 Ų97125.4 Ų125.450%0.49763%0.629SS.*Hα-helixtrans-73.1-35.3175.3-68.7168.1000111.3R359 E361 K366 K367R359-I363 HydrophobicContact CG-CD1 3.86Å; R359-I363 VanDerWaalsContact O-CB 3.3Å; R359-I363 WeakPolarHBondContact O-CB 3.34Å; R359-I363 WeakPolarHBondContact O-CD1 3.43Å; R359-I363 WeakPolarHBondContact O-CG1 3.43Å; R359-I363 PolarHBondContact O-N 2.99Å; E361-I363 VanDerWaalsContact C-N 3.3Å; E361-I363 PolarHBondContact O-N 3.45Å; I363-K366 PolarHBondContact O-N 3.45Å; I363-K367 WeakPolarHBondContact O-CB 3.3Å; I363-K367 PolarHBondContact O-N 2.7Å
364K47.9Very low44Very low154 Ų154125.7 Ų125.767%0.6764%0.644SS**Hα-helixtrans-65.7-39.5173.2-88.9179.1172.5-179.10111.6T360 E361 K367 S368T360-K364 VanDerWaalsContact O-CB 3.28Å; T360-K364 WeakPolarHBondContact O-CB 3.29Å; T360-K364 WeakPolarHBondContact O-CG 3.37Å; T360-K364 PolarHBondContact O-N 2.95Å; E361-K364 PolarHBondContact O-N 3.43Å; E361-K364 VanDerWaalsContact O-N 3.11Å; K364-K367 PolarHBondContact O-N 3.06Å; K364-K367 VanDerWaalsContact O-N 3.12Å; K364-S368 PolarHBondContact O-N 3.12Å; K364-S368 PolarHBondContact O-OG 2.94Å
365D44.8Very low43.2Very low114 Ų114129.6 Ų129.661%0.6166%0.659SS**Hα-helixtrans-68.2-34.7176.3-123.87.9000112.3E361 K367 S368 Q369E361-D365 PolarHBondContact O-N 3.04Å; D365-K367 VanDerWaalsContact C-N 3.31Å; D365-K367 PolarHBondContact O-N 3.48Å; D365-S368 PolarHBondContact O-OG 3.22Å; D365-Q369 PolarHBondContact O-N 3.49Å
366K50.7Low42.2Very low164 Ų164130.5 Ų130.571%0.71367%0.673SS**Hα-helixtrans-69.9-24.6170-91.3-176.1173.4-179.90113.8I362 I363I362-K366 PolarHBondContact O-N 3.06Å; I362-K366 VanDerWaalsContact O-N 3.07Å; I363-K366 PolarHBondContact O-N 3.45Å
367K44.9Very low41.6Very low160 Ų160127.4 Ų127.470%0.69668%0.679SS**Hα-helixtrans-86.9-30.4179.9-128.3177.4-178.1-177.60112.7I363 K364 D365 L370 T371I363-K367 WeakPolarHBondContact O-CB 3.3Å; I363-K367 PolarHBondContact O-N 2.7Å; K364-K367 PolarHBondContact O-N 3.06Å; K364-K367 VanDerWaalsContact O-N 3.12Å; D365-K367 VanDerWaalsContact C-N 3.31Å; D365-K367 PolarHBondContact O-N 3.48Å; K367-L370 PolarHBondContact O-N 2.93Å; K367-T371 PolarHBondContact O-OG1 3.42Å
368S40.8Very low40.9Very low71 Ų71125.8 Ų125.850%0.49769%0.687SS.*Hα-helixtrans-71.1-30.8174.661.70000112.6K364 D365K364-S368 PolarHBondContact O-N 3.12Å; K364-S368 PolarHBondContact O-OG 2.94Å; D365-S368 PolarHBondContact O-OG 3.22Å
369Q39.8Very low39.8Very low159 Ų159127.4 Ų127.474%0.74371%0.711SS**G310 helixtrans-79-15.9173.5-70.5-165.3-9.900114.2D365D365-Q369 PolarHBondContact O-N 3.49Å
370L40.4Very low39.2Very low151 Ų151125.3 Ų125.379%0.79172%0.723SS**G310 helixtrans-100.229.2-177.2-153.278.5000113.3K367K367-L370 PolarHBondContact O-N 2.93Å
371T35.1Very low38.2Very low123 Ų123125.7 Ų125.776%0.75573%0.734SS**G310 helixtrans-124.59.71756.60000114.4K367K367-T371 PolarHBondContact O-OG1 3.42Å
372S38.3Very low37.2Very low95 Ų95125.9 Ų125.966%0.66475%0.749SS**SBendtrans-134.250.1176.271.90000114
373L33.6Very low36Very low174 Ų174130.8 Ų130.891%0.91176%0.761SS**  trans-159.694.8152.7-137.172.9000110.3
374G30.3Very low34.9Very low76 Ų76133.4 Ų133.478%0.78478%0.775SS**  trans-73.6125.9170.700000111.2
375L29.2Very low33.9Very low167 Ų167136.1 Ų136.187%0.87478%0.783SS**  trans50.897.2139.5-135.986.5000118.1
376M25.2Very low33.2Very low191 Ų191137 Ų13794%0.94179%0.787SS**  trans-145.2141.4134-90-53.4-177.700110.2
377A28.6Very low32.2Very low100 Ų100137.1 Ų137.183%0.82679%0.794SS**  trans-62.5150.3-168.400000115.1
378G28.3Very low31.5Very low75 Ų75136.5 Ų136.577%0.77380%0.804SS**  trans92.6133.4154.100000116.4
379A26.6Very low31.2Very low105 Ų105136 Ų13687%0.86881%0.81SS**  trans82.5125.416500000118.8
380C33.8Very low30.6Very low137 Ų137136.9 Ų136.993%0.92682%0.819SS**  trans-54.1125171.4-146.70000111.6
381A26.6Very low29.9Very low85 Ų85136.2 Ų136.270%0.70283%0.825SS**  trans-15694.9165.200000111.9R383A381-R383 PolarHBondContact O-N 3.24Å; A381-R383 VanDerWaalsContact O-N 3.09Å
382C28Very low29.6Very low143 Ų143140.8 Ų140.897%0.96683%0.83SS**  trans-65.797.7156-89.20000108.7
383R28.8Very low29.4Very low206 Ų206141.4 Ų141.478%0.77783%0.83SS**  trans-99.4106.1165.9-100.5-175.4-179.6-151.10.8109.9A381 Y385A381-R383 PolarHBondContact O-N 3.24Å; A381-R383 VanDerWaalsContact O-N 3.09Å; R383-Y385 PolarHBondContact O-N 3.41Å
384L30.3Very low29.2Very low151 Ų151140.8 Ų140.879%0.79183%0.828SS**  trans-67.1103.1166.3-16780.3000108.3L386L384-L386 VanDerWaalsContact C-N 3.33Å; L384-L386 HydrophobicContact CD2-CD1 3.98Å; L384-L386 HydrophobicContact CG-CD1 4.39Å; L384-L386 PolarHBondContact O-N 3.14Å; L384-L386 VanDerWaalsContact O-N 3.08Å
385Y27.2Very low29.6Very low212 Ų212147.4 Ų147.483%0.83184%0.835SS**  trans-75.388.9166.7-89-90.2000108.6R383R383-Y385 PolarHBondContact O-N 3.41Å
386L30.1Very low29.8Very low133 Ų133145 Ų14570%0.69683%0.831SS**  trans-96.9110.9162.3-136.8113.8000107.2L384 T388L384-L386 VanDerWaalsContact C-N 3.33Å; L384-L386 HydrophobicContact CD2-CD1 3.98Å; L384-L386 HydrophobicContact CG-CD1 4.39Å; L384-L386 PolarHBondContact O-N 3.14Å; L384-L386 VanDerWaalsContact O-N 3.08Å; L386-T388 PolarHBondContact O-N 2.88Å
387L30.5Very low30.5Very low166 Ų166144.4 Ų144.487%0.86983%0.826SS**  trans10.994.4160.5-79.5138.1000116.6
388T29.1Very low31.4Very low147 Ų147145 Ų14590%0.90282%0.824SS**  trans-86.4102.6154.546.40000108.9L386L386-T388 PolarHBondContact O-N 2.88Å
389G34.7Very low32.3Very low60 Ų60145.6 Ų145.662%0.61981%0.812SS**  trans-179.697.5170.600000110.8
390L28.5Very low33.6Very low177 Ų177143.9 Ų143.993%0.92779%0.791SS**  trans9676176.2-55.4160000115.9
391C24.5Very low34.5Very low138 Ų138143.9 Ų143.993%0.93278%0.778SS**  trans-93.3115.1146.8-89.40000108.3
392Y28.6Very low35.5Very low219 Ų219145.2 Ų145.286%0.85977%0.772SS**  trans-121.3108157.7-148.7-94.4000108.5
393T34.6Very low36.6Very low108 Ų108144.1 Ų144.166%0.66375%0.753SS**SBendtrans12.396.8166.162.40000118.3
394N30.1Very low37.4Very low160 Ų160139.4 Ų139.486%0.85674%0.74SS**  trans-156.7140.9134.8-97.9-30.5000108.7C396N394-C396 PolarHBondContact O-N 3.38Å
395K38.2Very low38.2Very low215 Ų215136.4 Ų136.494%0.93572%0.724SS**  trans-46.8104.8-176.8-78.8173170.4177.30111.7
396C34.3Very low39.3Very low117 Ų117132.4 Ų132.479%0.79172%0.724SS**  trans-98.7102.1162.1-94.80000108N394 S398N394-C396 PolarHBondContact O-N 3.38Å; C396-S398 PolarHBondContact O-N 3.17Å
397E39Very low40.3Very low179 Ų179134.4 Ų134.484%0.83674%0.735SS**  trans-61.7103.9160-86.6178.7160.600108.1T399E397-T399 PolarHBondContact O-N 3.08Å; E397-T399 VanDerWaalsContact O-N 3.15Å
398S47.6Very low41.3Very low111 Ų111128.9 Ų128.978%0.77671%0.711SS**  trans-73.2103173.2-62.40000108C396 V400C396-S398 PolarHBondContact O-N 3.17Å; S398-V400 VanDerWaalsContact C-N 3.27Å; S398-V400 PolarHBondContact O-N 3.49Å
399T48.3Very low42.4Very low88 Ų88129 Ų12954%0.5471%0.706SS.*  trans-85.712.9-174.734.70000114.3E397E397-T399 PolarHBondContact O-N 3.08Å; E397-T399 VanDerWaalsContact O-N 3.15Å
400V53.4Low42.9Very low70 Ų70135.4 Ų135.442%0.42471%0.711SS.*  trans-95.9106.5178.5-173.40000108.7S398 L413S398-V400 VanDerWaalsContact C-N 3.27Å; S398-V400 PolarHBondContact O-N 3.49Å; V400-L413 HydrophobicContact CG1-CB 4.46Å; V400-L413 HydrophobicContact CG1-CD2 3.63Å
401Q51.2Low44.3Very low136 Ų136133.3 Ų133.364%0.63670%0.695SS**EExtended strand (participates in β ladder)trans-95.1132.6176.3-68.8-166.7-14.100110.5I414Q401-I414 PolarHBondContact N-O 2.77Å; Q401-I414 PolarHBondContact O-N 2.71Å
402L47.9Very low45.6Very low113 Ų113130 Ų13059%0.59267%0.673SS**EExtended strand (participates in β ladder)trans-104.5107.7-178.2-142.8141.8000106.8F411 L413L402-F411 HydrophobicContact CD2-CB 3.55Å; L402-F411 HydrophobicContact CD2-CD1 3.47Å; L402-F411 VanDerWaalsContact CD2-CD1 3.47Å; L402-F411 HydrophobicContact CD2-CE1 4.4Å; L402-F411 HydrophobicContact CD2-CG 3.71Å; L402-L413 HydrophobicContact CD1-CD2 3.59Å; L402-L413 HydrophobicContact CG-CD2 3.95Å
403Q51.4Low47.1Very low121 Ų121124.4 Ų124.457%0.56566%0.657SS**EExtended strand (participates in β ladder)trans-117.4132.7-176.4-162.8166.2-4.500110.1C412 I414Q403-C412 PolarHBondContact N-O 3.44Å; Q403-C412 VanDerWaalsContact N-O 3.09Å; Q403-C412 PolarHBondContact O-N 3.19Å; Q403-I414 HydrophobicContact CB-CD1 4.24Å
404Q45.6Very low48.3Very low107 Ų107123.2 Ų123.250%0.565%0.646SS.*EExtended strand (participates in β ladder)trans-80.8126.7178.9-162.1172.27.200108.6F411Q404-F411 HydrophobicContact CB-CD1 4.35Å; Q404-F411 HydrophobicContact CB-CE1 4.33Å; Q404-F411 HydrophobicContact CG-CD1 4.4Å; Q404-F411 HydrophobicContact CG-CE1 4.18Å
405L48Very low49.9Very low88 Ų88118.5 Ų118.546%0.46162%0.62SS.*PPolyproline II helixtrans-65.9138.5174-102.388000109.2D407 R410 C412L405-D407 PolarHBondContact O-N 3.45Å; L405-R410 PolarHBondContact N-O 3.43Å; L405-C412 HydrophobicContact CD1-CB 3.84Å
406P50.6Low51.5Low127 Ų127109.6 Ų109.683%0.82558%0.584SS**THydrogen-bonded Turntrans-65.1127.5168.12.611.7000107.7
407D50Low53.2Low175 Ų175108.8 Ų108.894%0.93658%0.578SS**THydrogen-bonded Turntrans82.321.2178.8-84.7-12.2000120.4L405L405-D407 PolarHBondContact O-N 3.45Å
408S52.8Low54.8Low50 Ų50106.6 Ų106.635%0.3557%0.572SS.*SBendtrans-159.4155.2155.151.60000113.4R410S408-R410 PolarHBondContact O-N 3.24Å
409D51.9Low56.2Low151 Ų151105 Ų10581%0.80755%0.554SS**SBendtrans-66.933.1172.4-80.6-18.9000113.6
410R44.4Very low57.6Low193 Ų193106.8 Ų106.873%0.72856%0.555SS**  trans-108.3117.5-179.9-64-175.7-175.2-177.64109.7L405 S408L405-R410 PolarHBondContact N-O 3.43Å; S408-R410 PolarHBondContact O-N 3.24Å
411F58.3Low59Low133 Ų133106.7 Ų106.758%0.58356%0.557SS**EExtended strand (participates in β ladder)trans-85.1134.2172.3-64.1-80.1000110.4L402 Q404L402-F411 HydrophobicContact CD2-CB 3.55Å; L402-F411 HydrophobicContact CD2-CD1 3.47Å; L402-F411 VanDerWaalsContact CD2-CD1 3.47Å; L402-F411 HydrophobicContact CD2-CE1 4.4Å; L402-F411 HydrophobicContact CD2-CG 3.71Å; Q404-F411 HydrophobicContact CB-CD1 4.35Å; Q404-F411 HydrophobicContact CB-CE1 4.33Å; Q404-F411 HydrophobicContact CG-CD1 4.4Å; Q404-F411 HydrophobicContact CG-CE1 4.18Å
412C51.9Low60.5Low69 Ų69102.5 Ų102.547%0.46655%0.545SS..EExtended strand (participates in β ladder)trans-112.7131.3175.5-138.80000110.1Q403 L405Q403-C412 PolarHBondContact N-O 3.44Å; Q403-C412 VanDerWaalsContact N-O 3.09Å; Q403-C412 PolarHBondContact O-N 3.19Å; L405-C412 HydrophobicContact CD1-CB 3.84Å
413L59.9Low62.2Low102 Ų102100.7 Ų100.753%0.53454%0.535SS..EExtended strand (participates in β ladder)trans-86.9116.6175.7-71.3159.2000108.9V400 L402 L415V400-L413 HydrophobicContact CG1-CB 4.46Å; V400-L413 HydrophobicContact CG1-CD2 3.63Å; L402-L413 HydrophobicContact CD1-CD2 3.59Å; L402-L413 HydrophobicContact CG-CD2 3.95Å; L413-L415 HydrophobicContact CB-CD1 3.83Å; L413-L415 PolarHBondContact O-N 3.26Å
414I59.4Low63.7Low82 Ų8299 Ų9942%0.42153%0.531SS..EExtended strand (participates in β ladder)trans-85.1102.3170.8-57.7173.4000106.8Q401 Q403Q401-I414 PolarHBondContact N-O 2.77Å; Q401-I414 PolarHBondContact O-N 2.71Å; Q403-I414 HydrophobicContact CB-CD1 4.24Å
415L64.6Low65.7Low61 Ų6196.3 Ų96.332%0.31953%0.526SS..  trans-80140.5176.7-8576000110.6L413 L419 I423L413-L415 HydrophobicContact CB-CD1 3.83Å; L413-L415 PolarHBondContact O-N 3.26Å; L415-L419 HydrophobicContact CD2-CD2 3.77Å; L415-L419 HydrophobicContact CD2-CG 4Å; L415-L419 HydrophobicContact CG-CD2 4.12Å; L415-I423 HydrophobicContact CD2-CD1 3.39Å
416P70.6Confident67.8Low28 Ų2896.7 Ų96.718%0.18253%0.532CS..  trans-59.9146.8172.722.3-30.5000110.9N418 L419 K420P416-N418 PolarHBondContact O-N 2.99Å; P416-N418 VanDerWaalsContact O-N 3.12Å; P416-L419 HydrophobicContact CG-CB 3.92Å; P416-L419 HydrophobicContact CG-CD2 4.49Å; P416-L419 PolarHBondContact O-N 2.95Å; P416-K420 PolarHBondContact O-N 3.26Å
417P70.9Confident69.6Low101 Ų10193.8 Ų93.866%0.65651%0.512SS*.Hα-helixtrans-58.9-32.8-169.922.6-33.7000113.2S421P417-S421 PolarHBondContact O-N 2.92Å; P417-S421 PolarHBondContact O-OG 3.35Å
418N72.4Confident71.6Confident133 Ų13392.4 Ų92.471%0.71150%0.495SS*.Hα-helixtrans-70.4-31.5177.8-61-19000113.3P416 S421 A422P416-N418 PolarHBondContact O-N 2.99Å; P416-N418 VanDerWaalsContact O-N 3.12Å; N418-S421 PolarHBondContact O-OG 3.46Å; N418-S421 VanDerWaalsContact O-OG 3.07Å; N418-A422 WeakPolarHBondContact O-CB 3.33Å; N418-A422 PolarHBondContact O-N 3.31Å
419L76.5Confident73.5Confident78 Ų7894.5 Ų94.541%0.40850%0.501SS..Hα-helixtrans-80.5-36.5176.8-173.865.8000110.6L415 P416 A422 I423L415-L419 HydrophobicContact CD2-CD2 3.77Å; L415-L419 HydrophobicContact CD2-CG 4Å; L415-L419 HydrophobicContact CG-CD2 4.12Å; P416-L419 HydrophobicContact CG-CB 3.92Å; P416-L419 HydrophobicContact CG-CD2 4.49Å; P416-L419 PolarHBondContact O-N 2.95Å; L419-A422 PolarHBondContact O-N 3.29Å; L419-I423 HydrophobicContact CG-CD1 4.06Å; L419-I423 VanDerWaalsContact O-CG1 3.28Å; L419-I423 WeakPolarHBondContact O-CG1 3.43Å; L419-I423 PolarHBondContact O-N 2.91Å
420K78.1Confident75.3Confident125 Ų12590 Ų9054%0.54349%0.485SS..Hα-helixtrans-60.6-48.3172.7-172.4179.6177.2-176.30111P416 A422 I423 D424P416-K420 PolarHBondContact O-N 3.26Å; K420-A422 VanDerWaalsContact C-N 3.33Å; K420-A422 PolarHBondContact O-N 2.95Å; K420-I423 PolarHBondContact O-N 2.93Å; K420-D424 WeakPolarHBondContact O-CB 3.47Å; K420-D424 PolarHBondContact O-N 3.37Å
421S81.4Confident77.4Confident68 Ų6887.1 Ų87.148%0.47648%0.48SS..Hα-helixtrans-64-35.8177.468.10000113.1P417 N418 D424 A425P417-S421 PolarHBondContact O-N 2.92Å; P417-S421 PolarHBondContact O-OG 3.35Å; N418-S421 PolarHBondContact O-OG 3.46Å; N418-S421 VanDerWaalsContact O-OG 3.07Å; S421-D424 PolarHBondContact O-N 3.02Å; S421-A425 WeakPolarHBondContact O-CB 3.38Å; S421-A425 PolarHBondContact O-N 3.19Å
422A84.5Confident79Confident47 Ų4785.2 Ų85.239%0.38847%0.473SS..Hα-helixtrans-67.3-41.2175.100000112.4N418 L419 K420 A425 V426N418-A422 WeakPolarHBondContact O-CB 3.33Å; N418-A422 PolarHBondContact O-N 3.31Å; L419-A422 PolarHBondContact O-N 3.29Å; K420-A422 VanDerWaalsContact C-N 3.33Å; K420-A422 PolarHBondContact O-N 2.95Å; A422-A425 PolarHBondContact O-N 3.23Å; A422-V426 VanDerWaalsContact O-CG2 3.31Å; A422-V426 WeakPolarHBondContact O-CG2 3.37Å; A422-V426 PolarHBondContact O-N 2.97Å
423I83.8Confident80.8Confident75 Ų7586.4 Ų86.439%0.38547%0.474SS..Hα-helixtrans-66.5-41.7174.8-68.9166.5000110.5L415 L419 K420 A425 V426 T427L415-I423 HydrophobicContact CD2-CD1 3.39Å; L419-I423 HydrophobicContact CG-CD1 4.06Å; L419-I423 VanDerWaalsContact O-CG1 3.28Å; L419-I423 WeakPolarHBondContact O-CG1 3.43Å; L419-I423 PolarHBondContact O-N 2.91Å; K420-I423 PolarHBondContact O-N 2.93Å; I423-A425 VanDerWaalsContact C-N 3.31Å; I423-A425 PolarHBondContact O-N 3.4Å; I423-V426 PolarHBondContact O-N 3.12Å; I423-T427 HydrophobicContact CG2-CG2 4.24Å; I423-T427 WeakPolarHBondContact O-CB 3.47Å; I423-T427 VanDerWaalsContact O-CG2 3.28Å; I423-T427 WeakPolarHBondContact O-CG2 3.48Å; I423-T427 PolarHBondContact O-N 3.47Å; I423-T427 PolarHBondContact O-OG1 3.44Å
424D81.9Confident82.2Confident87 Ų8788.6 Ų88.647%0.46548%0.479SS..Hα-helixtrans-62.3-38.6175.4-67.8-18000111K420 S421 T427 Y428K420-D424 WeakPolarHBondContact O-CB 3.47Å; K420-D424 PolarHBondContact O-N 3.37Å; S421-D424 PolarHBondContact O-N 3.02Å; D424-T427 VanDerWaalsContact CA-OG1 3.28Å; D424-T427 WeakPolarHBondContact CA-OG1 3.3Å; D424-T427 PolarHBondContact O-OG1 2.85Å; D424-Y428 VanDerWaalsContact O-CB 3.29Å; D424-Y428 WeakPolarHBondContact O-CB 3.46Å; D424-Y428 PolarHBondContact O-N 3.25Å
425A88.6Confident83.5Confident49 Ų4990.5 Ų90.541%0.40548%0.484SS..Hα-helixtrans-67.9-43.6174.800000112.8S421 A422 I423 Y428 I429S421-A425 WeakPolarHBondContact O-CB 3.38Å; S421-A425 PolarHBondContact O-N 3.19Å; A422-A425 PolarHBondContact O-N 3.23Å; I423-A425 VanDerWaalsContact C-N 3.31Å; I423-A425 PolarHBondContact O-N 3.4Å; A425-Y428 PolarHBondContact O-N 3Å; A425-I429 WeakPolarHBondContact O-CD1 3.47Å; A425-I429 VanDerWaalsContact O-CG1 3.23Å; A425-I429 WeakPolarHBondContact O-CG1 3.26Å; A425-I429 PolarHBondContact O-N 3.48Å
426V90.2Very high84.6Confident96 Ų9692.7 Ų92.758%0.58249%0.493SS*.Hα-helixtrans-68.1-39.2178.3171.50000111.5A422 I423 I429 A430A422-V426 VanDerWaalsContact O-CG2 3.31Å; A422-V426 WeakPolarHBondContact O-CG2 3.37Å; A422-V426 PolarHBondContact O-N 2.97Å; I423-V426 PolarHBondContact O-N 3.12Å; V426-I429 PolarHBondContact O-N 3.47Å; V426-A430 WeakPolarHBondContact O-CB 3.24Å; V426-A430 PolarHBondContact O-N 3.06Å
427T89.1Confident85.5Confident66 Ų6695.4 Ų95.441%0.40551%0.506SS..Hα-helixtrans-65.5-4217549.50000111.2I423 D424 I429 A430 E431I423-T427 HydrophobicContact CG2-CG2 4.24Å; I423-T427 WeakPolarHBondContact O-CB 3.47Å; I423-T427 VanDerWaalsContact O-CG2 3.28Å; I423-T427 WeakPolarHBondContact O-CG2 3.48Å; I423-T427 PolarHBondContact O-N 3.47Å; I423-T427 PolarHBondContact O-OG1 3.44Å; D424-T427 VanDerWaalsContact CA-OG1 3.28Å; D424-T427 WeakPolarHBondContact CA-OG1 3.3Å; D424-T427 PolarHBondContact O-OG1 2.85Å; T427-I429 PolarHBondContact O-N 2.89Å; T427-A430 PolarHBondContact O-N 3.11Å; T427-E431 WeakPolarHBondContact O-CG 3.28Å; T427-E431 PolarHBondContact O-N 3.34Å
428Y92.8Very high86.2Confident146 Ų14693.8 Ų93.857%0.57349%0.494SS*.Hα-helixtrans-59.6-45.6172179-98.8000112.5D424 A425 A430 E431 Q432D424-Y428 VanDerWaalsContact O-CB 3.29Å; D424-Y428 WeakPolarHBondContact O-CB 3.46Å; D424-Y428 PolarHBondContact O-N 3.25Å; A425-Y428 PolarHBondContact O-N 3Å; Y428-A430 VanDerWaalsContact C-N 3.33Å; Y428-A430 PolarHBondContact O-N 2.75Å; Y428-E431 PolarHBondContact O-N 3.4Å; Y428-Q432 WeakPolarHBondContact O-CB 3.24Å; Y428-Q432 PolarHBondContact O-N 3.12Å
429I91.6Very high86.8Confident94 Ų9490.4 Ų90.448%0.48248%0.476SS..Hα-helixtrans-60.9-44.1176-68.6162.8000110.5A425 V426 T427 E431 Q432 L433A425-I429 WeakPolarHBondContact O-CD1 3.47Å; A425-I429 VanDerWaalsContact O-CG1 3.23Å; A425-I429 WeakPolarHBondContact O-CG1 3.26Å; A425-I429 PolarHBondContact O-N 3.48Å; V426-I429 PolarHBondContact O-N 3.47Å; T427-I429 PolarHBondContact O-N 2.89Å; I429-E431 PolarHBondContact O-N 3.32Å; I429-Q432 PolarHBondContact O-N 3.06Å; I429-L433 HydrophobicContact CG2-CD1 3.85Å; I429-L433 HydrophobicContact CG2-CG 4.26Å; I429-L433 WeakPolarHBondContact O-CB 3.48Å; I429-L433 VanDerWaalsContact O-CG 3.27Å; I429-L433 WeakPolarHBondContact O-CG 3.49Å; I429-L433 PolarHBondContact O-N 3.12Å
430A90.3Very high87.2Confident56 Ų5690.8 Ų90.846%0.46348%0.479SS..Hα-helixtrans-64.2-39.6178.500000112.3V426 T427 Y428 K434V426-A430 WeakPolarHBondContact O-CB 3.24Å; V426-A430 PolarHBondContact O-N 3.06Å; T427-A430 PolarHBondContact O-N 3.11Å; Y428-A430 VanDerWaalsContact C-N 3.33Å; Y428-A430 PolarHBondContact O-N 2.75Å; A430-K434 VanDerWaalsContact O-CB 3.28Å; A430-K434 WeakPolarHBondContact O-CB 3.48Å; A430-K434 PolarHBondContact O-N 3.39Å
431E89.6Confident87.6Confident134 Ų13486.5 Ų86.563%0.62646%0.464SS*.Hα-helixtrans-66.5-41.6174.5-76.2-176.3175.600112T427 Y428 I429 K434 K435T427-E431 WeakPolarHBondContact O-CG 3.28Å; T427-E431 PolarHBondContact O-N 3.34Å; Y428-E431 PolarHBondContact O-N 3.4Å; I429-E431 PolarHBondContact O-N 3.32Å; E431-K434 PolarHBondContact O-N 3.09Å; E431-K435 WeakPolarHBondContact O-CB 3.35Å; E431-K435 PolarHBondContact O-N 2.86Å
432Q90.9Very high87.8Confident93 Ų9386.6 Ų86.644%0.43546%0.458SS..Hα-helixtrans-67.5-42.3178.5-168.268.2-1.200111.7Y428 I429 K434 K435 Q436Y428-Q432 WeakPolarHBondContact O-CB 3.24Å; Y428-Q432 PolarHBondContact O-N 3.12Å; I429-Q432 PolarHBondContact O-N 3.06Å; Q432-K434 VanDerWaalsContact C-N 3.35Å; Q432-K435 PolarHBondContact O-N 3.14Å; Q432-Q436 WeakPolarHBondContact O-CB 3.47Å; Q432-Q436 PolarHBondContact O-N 3.45Å
433L90.2Very high87.9Confident94 Ų9485.9 Ų85.949%0.49245%0.449SS..Hα-helixtrans-61.8-42.9173-73.9172.8000111.2I429 K435 Q436 D437I429-L433 HydrophobicContact CG2-CD1 3.85Å; I429-L433 HydrophobicContact CG2-CG 4.26Å; I429-L433 WeakPolarHBondContact O-CB 3.48Å; I429-L433 VanDerWaalsContact O-CG 3.27Å; I429-L433 WeakPolarHBondContact O-CG 3.49Å; I429-L433 PolarHBondContact O-N 3.12Å; L433-K435 PolarHBondContact O-N 3.24Å; L433-Q436 PolarHBondContact O-N 3.2Å; L433-D437 WeakPolarHBondContact O-CB 3.48Å; L433-D437 PolarHBondContact O-N 2.76Å
434K89Confident88Confident147 Ų14783.3 Ų83.364%0.63944%0.441SS*.Hα-helixtrans-63.9-40.6176.6-176.5-177.8177-170.40112A430 E431 Q432 T438A430-K434 VanDerWaalsContact O-CB 3.28Å; A430-K434 WeakPolarHBondContact O-CB 3.48Å; A430-K434 PolarHBondContact O-N 3.39Å; E431-K434 PolarHBondContact O-N 3.09Å; Q432-K434 VanDerWaalsContact C-N 3.35Å; K434-T438 WeakPolarHBondContact O-CG2 3.47Å; K434-T438 PolarHBondContact O-N 3.38Å; K434-T438 PolarHBondContact O-OG1 3.46Å
435K87.3Confident88.4Confident122 Ų12279.4 Ų79.453%0.5342%0.42SS..Hα-helixtrans-65.4-43.6176.5-174.9177.2177.5-179.20111E431 Q432 L433 T438 D439E431-K435 WeakPolarHBondContact O-CB 3.35Å; E431-K435 PolarHBondContact O-N 2.86Å; Q432-K435 PolarHBondContact O-N 3.14Å; L433-K435 PolarHBondContact O-N 3.24Å; K435-T438 WeakPolarHBondContact CA-OG1 3.4Å; K435-T438 PolarHBondContact O-N 3.43Å; K435-T438 PolarHBondContact O-OG1 3.01Å; K435-D439 PolarHBondContact O-N 2.85Å
436Q87.2Confident88.4Confident107 Ų10777.4 Ų77.450%0.540%0.402SS..Hα-helixtrans-60.7-47.4175-174.6173.5-9.200111.5Q432 L433 T438 D439 D440Q432-Q436 WeakPolarHBondContact O-CB 3.47Å; Q432-Q436 PolarHBondContact O-N 3.45Å; L433-Q436 PolarHBondContact O-N 3.2Å; Q436-T438 VanDerWaalsContact C-N 3.28Å; Q436-T438 PolarHBondContact O-N 3Å; Q436-D439 PolarHBondContact O-N 3.15Å; Q436-D439 VanDerWaalsContact O-N 3.14Å; Q436-D440 WeakPolarHBondContact O-CB 3.44Å; Q436-D440 PolarHBondContact O-N 3.25Å
437D88.8Confident88.4Confident86 Ų8676.8 Ų76.846%0.4639%0.393SS..Hα-helixtrans-57.4-40.2174.6-81.8-7.9000111.9L433 S441L433-D437 WeakPolarHBondContact O-CB 3.48Å; L433-D437 PolarHBondContact O-N 2.76Å; D437-S441 WeakPolarHBondContact O-CB 3.4Å; D437-S441 PolarHBondContact O-N 2.75Å
438T86Confident88.4Confident66 Ų6674.8 Ų74.841%0.40538%0.379SS..Hα-helixtrans-68.1-41.6176.551.70000112.3K434 K435 Q436 S441 M442K434-T438 WeakPolarHBondContact O-CG2 3.47Å; K434-T438 PolarHBondContact O-N 3.38Å; K434-T438 PolarHBondContact O-OG1 3.46Å; K435-T438 WeakPolarHBondContact CA-OG1 3.4Å; K435-T438 PolarHBondContact O-N 3.43Å; K435-T438 PolarHBondContact O-OG1 3.01Å; Q436-T438 VanDerWaalsContact C-N 3.28Å; Q436-T438 PolarHBondContact O-N 3Å; T438-S441 PolarHBondContact O-N 3.38Å; T438-S441 PolarHBondContact O-OG 2.91Å; T438-M442 VanDerWaalsContact O-CG 3.29Å; T438-M442 WeakPolarHBondContact O-CG 3.43Å; T438-M442 PolarHBondContact O-N 3.18Å; T438-M442 VanDerWaalsContact O-N 3.13Å
439D85.6Confident88.2Confident62 Ų6268 Ų6833%0.33235%0.352SS..Hα-helixtrans-66.4-41.7178.5-72.6-20.5000110.7P323 K435 Q436 S441 M442 T443P323-D439 HydrophobicContact CG-CB 3.97Å; K435-D439 PolarHBondContact O-N 2.85Å; Q436-D439 PolarHBondContact O-N 3.15Å; Q436-D439 VanDerWaalsContact O-N 3.14Å; D439-S441 VanDerWaalsContact C-N 3.33Å; D439-S441 PolarHBondContact O-N 3.22Å; D439-M442 PolarHBondContact O-N 2.93Å; D439-M442 VanDerWaalsContact O-N 3.15Å; D439-T443 WeakPolarHBondContact O-CG2 3.49Å; D439-T443 PolarHBondContact O-N 3.15Å; D439-T443 PolarHBondContact O-OG1 2.97Å
440D85.5Confident88.2Confident87 Ų8763.5 Ų63.547%0.46533%0.329SS..Hα-helixtrans-64.4-35.4175.1-72.1-18.3000112.2Q436 M442 T443 G444Q436-D440 WeakPolarHBondContact O-CB 3.44Å; Q436-D440 PolarHBondContact O-N 3.25Å; D440-M442 VanDerWaalsContact C-N 3.33Å; D440-M442 PolarHBondContact O-N 3.27Å; D440-T443 WeakPolarHBondContact CA-OG1 3.5Å; D440-T443 PolarHBondContact O-OG1 3.32Å; D440-G444 PolarHBondContact O-N 3.13Å
441S86.3Confident88.1Confident34 Ų3463.9 Ų63.924%0.23832%0.323CS..Hα-helixtrans-66.3-36.1173.978.20000112.4D437 T438 D439 D445D437-S441 WeakPolarHBondContact O-CB 3.4Å; D437-S441 PolarHBondContact O-N 2.75Å; T438-S441 PolarHBondContact O-N 3.38Å; T438-S441 PolarHBondContact O-OG 2.91Å; D439-S441 VanDerWaalsContact C-N 3.33Å; D439-S441 PolarHBondContact O-N 3.22Å; S441-D445 PolarHBondContact O-N 3.24Å; S441-D445 VanDerWaalsContact O-N 3.07Å
442M84.8Confident88.1Confident70 Ų7057.5 Ų57.535%0.34529%0.293SS..Hα-helixtrans-76.8-37.4-179.9-67.2-68.7170.300111.9P323 R333 T438 D439 D440 G444 D445 W446P323-M442 HydrophobicContact CB-CB 4.29Å; P323-M442 HydrophobicContact CG-CB 4.39Å; R333-M442 PolarHBondContact NH2-SD 3.46Å; T438-M442 VanDerWaalsContact O-CG 3.29Å; T438-M442 WeakPolarHBondContact O-CG 3.43Å; T438-M442 PolarHBondContact O-N 3.18Å; T438-M442 VanDerWaalsContact O-N 3.13Å; D439-M442 PolarHBondContact O-N 2.93Å; D439-M442 VanDerWaalsContact O-N 3.15Å; D440-M442 VanDerWaalsContact C-N 3.33Å; D440-M442 PolarHBondContact O-N 3.27Å; M442-G444 VanDerWaalsContact C-N 3.34Å; M442-D445 WeakPolarHBondContact O-CB 3.28Å; M442-D445 PolarHBondContact O-N 3.49Å; M442-W446 VanDerWaalsContact O-CD1 3.28Å; M442-W446 PolarHBondContact O-N 3.03Å; M442-W446 VanDerWaalsContact O-N 3.1Å
443T87.2Confident88.1Confident33 Ų3353.5 Ų53.520%0.20228%0.275CS..Hα-helixtrans-64.1-41.4171.754.90000110.8T322 P323 D439 D440 D445 W446 Q447T322-T443 HydrophobicContact CG2-CG2 4.45Å; P323-T443 HydrophobicContact CG-CG2 4.45Å; D439-T443 WeakPolarHBondContact O-CG2 3.49Å; D439-T443 PolarHBondContact O-N 3.15Å; D439-T443 PolarHBondContact O-OG1 2.97Å; D440-T443 WeakPolarHBondContact CA-OG1 3.5Å; D440-T443 PolarHBondContact O-OG1 3.32Å; T443-D445 VanDerWaalsContact C-N 3.32Å; T443-D445 PolarHBondContact O-N 2.68Å; T443-W446 PolarHBondContact O-N 2.92Å; T443-W446 VanDerWaalsContact O-N 3.16Å; T443-Q447 WeakPolarHBondContact O-CG 3.46Å; T443-Q447 PolarHBondContact O-N 3.5Å
444G86.3Confident88.2Confident21 Ų2149.2 Ų49.222%0.21625%0.253CS..Hα-helixtrans-59.9-38.1172.800000113.4D440 M442 F448D440-G444 PolarHBondContact O-N 3.13Å; M442-G444 VanDerWaalsContact C-N 3.34Å; G444-F448 WeakPolarHBondContact O-CB 3.3Å; G444-F448 PolarHBondContact O-N 3.38Å
445D88.5Confident88.3Confident5 Ų545.2 Ų45.23%0.02723%0.233CC..Hα-helixtrans-62.5-44.3173-80.7-11.7000111.6M328 R333 I337 R348 S441 M442 T443 F448 I449M328-D445 HydrophobicContact CE-CB 3.9Å; R333-D445 IonicContact CZ-OD2 3.41Å; R333-D445 IonicContact NH1-OD2 2.75Å; R333-D445 PolarHBondContact NH1-OD2 3.4Å; R333-D445 IonicContact NH2-OD2 3.32Å; R333-D445 PolarHBondContact NH2-OD2 3.31Å; I337-D445 HydrophobicContact CD1-CB 4.2Å; R348-D445 IonicContact CZ-OD1 3.12Å; R348-D445 IonicContact NH1-OD1 2.77Å; R348-D445 PolarHBondContact NH1-OD1 3.16Å; R348-D445 IonicContact NH2-OD1 2.71Å; R348-D445 PolarHBondContact NH2-OD1 3.1Å; S441-D445 PolarHBondContact O-N 3.24Å; S441-D445 VanDerWaalsContact O-N 3.07Å; M442-D445 WeakPolarHBondContact O-CB 3.28Å; M442-D445 PolarHBondContact O-N 3.49Å; T443-D445 VanDerWaalsContact C-N 3.32Å; T443-D445 PolarHBondContact O-N 2.68Å; D445-F448 PolarHBondContact O-N 3.1Å; D445-I449 VanDerWaalsContact O-CG1 3.24Å; D445-I449 WeakPolarHBondContact O-CG1 3.12Å; D445-I449 PolarHBondContact O-N 3.07Å
446W89.6Confident88.5Confident6 Ų642 Ų422%0.02322%0.222CC..Hα-helixtrans-64-43.3177.2-82.4112.9000112.9L318 R321 H326 M328 M442 T443 F448 I449 A450L318-W446 HydrophobicContact CD2-CE3 4.31Å; L318-W446 HydrophobicContact CD2-CZ3 3.83Å; R321-W446 HydrophobicContact CB-CB 4.44Å; R321-W446 HydrophobicContact CB-CD2 3.8Å; R321-W446 HydrophobicContact CB-CE3 4.11Å; R321-W446 HydrophobicContact CB-CG 3.96Å; H326-W446 HydrophobicContact CB-CZ2 4.29Å; M328-W446 HydrophobicContact CB-CH2 4.49Å; M328-W446 HydrophobicContact CB-CZ2 3.75Å; M328-W446 HydrophobicContact CG-CH2 4.48Å; M328-W446 HydrophobicContact CG-CZ2 4.16Å; M328-W446 HydrophobicContact SD-CZ2 4.49Å; M442-W446 VanDerWaalsContact O-CD1 3.28Å; M442-W446 PolarHBondContact O-N 3.03Å; M442-W446 VanDerWaalsContact O-N 3.1Å; T443-W446 PolarHBondContact O-N 2.92Å; T443-W446 VanDerWaalsContact O-N 3.16Å; W446-F448 VanDerWaalsContact C-N 3.32Å; W446-F448 PolarHBondContact O-N 3.23Å; W446-I449 PolarHBondContact O-N 3.48Å; W446-A450 PolarHBondContact O-N 3.07Å
447Q89.7Confident88.7Confident84 Ų8438.6 Ų38.639%0.39321%0.205SC..Hα-helixtrans-61.8-41.3175.5-69.6175.1-6.200111.4T443 A450 L451T443-Q447 WeakPolarHBondContact O-CG 3.46Å; T443-Q447 PolarHBondContact O-N 3.5Å; Q447-A450 WeakPolarHBondContact O-CB 3.4Å; Q447-A450 PolarHBondContact O-N 3.35Å; Q447-L451 WeakPolarHBondContact O-CG 3.48Å; Q447-L451 PolarHBondContact O-N 2.95Å
448F88.6Confident88.9Confident24 Ų2435.6 Ų35.611%0.10519%0.189CC..Hα-helixtrans-63.9-43.3175.3-176-102000111.8I337 P341 R348 G444 D445 W446 A450 L451 V452I337-F448 HydrophobicContact CG1-CD1 4.42Å; P341-F448 HydrophobicContact CB-CE1 4.44Å; P341-F448 HydrophobicContact CB-CZ 4.23Å; P341-F448 HydrophobicContact CG-CE1 3.83Å; P341-F448 HydrophobicContact CG-CZ 4.11Å; R348-F448 HydrophobicContact CB-CE2 4.3Å; R348-F448 HydrophobicContact CB-CZ 4.15Å; G444-F448 WeakPolarHBondContact O-CB 3.3Å; G444-F448 PolarHBondContact O-N 3.38Å; D445-F448 PolarHBondContact O-N 3.1Å; W446-F448 VanDerWaalsContact C-N 3.32Å; W446-F448 PolarHBondContact O-N 3.23Å; F448-A450 VanDerWaalsContact C-N 3.31Å; F448-A450 PolarHBondContact O-N 3.41Å; F448-L451 PolarHBondContact O-N 2.99Å; F448-V452 HydrophobicContact CD1-CG2 3.97Å; F448-V452 HydrophobicContact CE1-CG2 3.61Å; F448-V452 HydrophobicContact CE2-CG2 4.36Å; F448-V452 HydrophobicContact CG-CG2 4.5Å; F448-V452 HydrophobicContact CZ-CG2 3.83Å; F448-V452 VanDerWaalsContact O-CG2 3.25Å; F448-V452 WeakPolarHBondContact O-CG2 3.27Å; F448-V452 PolarHBondContact O-N 2.97Å
449I89.8Confident89.2Confident2 Ų239.3 Ų39.31%0.0120%0.196CC..Hα-helixtrans-59.2-44.5174.5-67.9165.2000110.3M328 V332 F336 I337 D445 W446 L451 V452 V453M328-I449 HydrophobicContact CE-CD1 4.44Å; M328-I449 HydrophobicContact SD-CD1 3.26Å; M328-I449 WeakPolarHBondContact SD-CD1 3.42Å; V332-I449 HydrophobicContact CG1-CD1 4.01Å; V332-I449 HydrophobicContact CG1-CG2 4.5Å; F336-I449 HydrophobicContact CB-CB 4.32Å; F336-I449 HydrophobicContact CB-CG1 3.87Å; F336-I449 HydrophobicContact CB-CG2 3.85Å; F336-I449 HydrophobicContact CD1-CG2 4.34Å; F336-I449 HydrophobicContact CD2-CG2 4.35Å; F336-I449 HydrophobicContact CG-CG2 3.93Å; I337-I449 HydrophobicContact CD1-CD1 4.07Å; I337-I449 HydrophobicContact CD1-CG1 4.25Å; I337-I449 HydrophobicContact CG1-CD1 4.24Å; I337-I449 HydrophobicContact CG1-CG1 3.93Å; D445-I449 VanDerWaalsContact O-CG1 3.24Å; D445-I449 WeakPolarHBondContact O-CG1 3.12Å; D445-I449 PolarHBondContact O-N 3.07Å; W446-I449 PolarHBondContact O-N 3.48Å; I449-L451 VanDerWaalsContact C-N 3.33Å; I449-L451 PolarHBondContact O-N 2.84Å; I449-V452 PolarHBondContact O-N 3.37Å; I449-V452 VanDerWaalsContact O-N 3.14Å; I449-V453 HydrophobicContact CG2-CG2 4.29Å; I449-V453 WeakPolarHBondContact O-CB 3.34Å; I449-V453 VanDerWaalsContact O-CG2 3.28Å; I449-V453 WeakPolarHBondContact O-CG2 3.4Å; I449-V453 PolarHBondContact O-N 3.29Å
450A90.4Very high89.5Confident0 Ų039.9 Ų39.90%020%0.199CC..Hα-helixtrans-58.3-44.2177.100000111.7V315 L318 H319 W446 Q447 F448 V452 V453 D454V315-A450 HydrophobicContact CG1-CB 4.39Å; L318-A450 HydrophobicContact CB-CB 4.02Å; H319-A450 HydrophobicContact CB-CB 3.83Å; W446-A450 PolarHBondContact O-N 3.07Å; Q447-A450 WeakPolarHBondContact O-CB 3.4Å; Q447-A450 PolarHBondContact O-N 3.35Å; F448-A450 VanDerWaalsContact C-N 3.31Å; F448-A450 PolarHBondContact O-N 3.41Å; A450-V452 PolarHBondContact O-N 2.9Å; A450-V453 PolarHBondContact O-N 2.69Å; A450-D454 WeakPolarHBondContact O-CB 3.38Å; A450-D454 PolarHBondContact O-N 3.35Å
451L88.8Confident89.8Confident65 Ų6536.2 Ų36.234%0.3418%0.178SC..Hα-helixtrans-63.2-39174.7-69.2170.7000112.7Q447 F448 I449 D454 R455Q447-L451 WeakPolarHBondContact O-CG 3.48Å; Q447-L451 PolarHBondContact O-N 2.95Å; F448-L451 PolarHBondContact O-N 2.99Å; I449-L451 VanDerWaalsContact C-N 3.33Å; I449-L451 PolarHBondContact O-N 2.84Å; L451-D454 WeakPolarHBondContact O-CB 3.34Å; L451-D454 PolarHBondContact O-N 2.91Å; L451-R455 VanDerWaalsContact O-CG 3.29Å; L451-R455 WeakPolarHBondContact O-CG 3.13Å; L451-R455 PolarHBondContact O-N 3.05Å; L451-R455 VanDerWaalsContact O-N 3.1Å
452V90.6Very high90.1Very high0 Ų036.5 Ų36.50%018%0.179CC..Hα-helixtrans-65.4-44.8177.8174.20000111.4F336 L340 P341 I344 M346 F448 I449 A450 D454 R455 L456F336-V452 HydrophobicContact CD1-CG1 4.37Å; L340-V452 HydrophobicContact CB-CG1 4Å; L340-V452 HydrophobicContact CD2-CG1 3.61Å; L340-V452 HydrophobicContact CG-CG1 4.08Å; P341-V452 HydrophobicContact CG-CG1 4.2Å; P341-V452 HydrophobicContact CG-CG2 3.87Å; I344-V452 HydrophobicContact CD1-CG1 4.13Å; M346-V452 HydrophobicContact CE-CB 4.32Å; M346-V452 HydrophobicContact CE-CG2 4.06Å; F448-V452 HydrophobicContact CD1-CG2 3.97Å; F448-V452 HydrophobicContact CE1-CG2 3.61Å; F448-V452 HydrophobicContact CE2-CG2 4.36Å; F448-V452 HydrophobicContact CG-CG2 4.5Å; F448-V452 HydrophobicContact CZ-CG2 3.83Å; F448-V452 VanDerWaalsContact O-CG2 3.25Å; F448-V452 WeakPolarHBondContact O-CG2 3.27Å; F448-V452 PolarHBondContact O-N 2.97Å; I449-V452 PolarHBondContact O-N 3.37Å; I449-V452 VanDerWaalsContact O-N 3.14Å; A450-V452 PolarHBondContact O-N 2.9Å; V452-D454 VanDerWaalsContact C-N 3.32Å; V452-R455 PolarHBondContact O-N 2.84Å; V452-L456 PolarHBondContact O-N 3.02Å; V452-L456 VanDerWaalsContact O-N 3.08Å
453V90.6Very high90.5Very high9 Ų937.5 Ų37.56%0.05519%0.185CC..Hα-helixtrans-61.5-42.3174.7171.50000110.7V315 L318 F336 I449 A450 R455 L456 F457V315-V453 HydrophobicContact CG2-CG1 3.99Å; L318-V453 HydrophobicContact CD1-CB 4.47Å; L318-V453 HydrophobicContact CD1-CG1 4.27Å; L318-V453 HydrophobicContact CD1-CG2 4.16Å; F336-V453 HydrophobicContact CD1-CG2 3.61Å; F336-V453 HydrophobicContact CE1-CG2 3.35Å; F336-V453 HydrophobicContact CZ-CG2 4.1Å; I449-V453 HydrophobicContact CG2-CG2 4.29Å; I449-V453 WeakPolarHBondContact O-CB 3.34Å; I449-V453 VanDerWaalsContact O-CG2 3.28Å; I449-V453 WeakPolarHBondContact O-CG2 3.4Å; I449-V453 PolarHBondContact O-N 3.29Å; A450-V453 PolarHBondContact O-N 2.69Å; V453-R455 PolarHBondContact O-N 3.45Å; V453-L456 WeakPolarHBondContact O-CB 3.35Å; V453-L456 PolarHBondContact O-N 3.22Å; V453-F457 HydrophobicContact CG1-CD2 3.73Å; V453-F457 HydrophobicContact CG1-CE2 3.15Å; V453-F457 HydrophobicContact CG1-CZ 3.67Å; V453-F457 WeakPolarHBondContact O-CD2 3.4Å; V453-F457 WeakPolarHBondContact O-CG 3.39Å; V453-F457 PolarHBondContact O-N 2.84Å
454D92.3Very high90.8Very high4 Ų439.4 Ų39.42%0.02119%0.193CC..Hα-helixtrans-58.8-46178.9-149.419.9000112.1F253 K262 V315 A450 L451 V452 L456 F457 L458F253-D454 WeakPolarHBondContact CA-OD1 3.09Å; F253-D454 VanDerWaalsContact CD1-OD1 3.29Å; F253-D454 WeakPolarHBondContact CD1-OD1 3.48Å; F253-D454 VanDerWaalsContact O-CG 3.29Å; K262-D454 IonicContact NZ-OD1 2.63Å; K262-D454 PolarHBondContact NZ-OD1 3.14Å; K262-D454 IonicContact NZ-OD2 2.79Å; K262-D454 PolarHBondContact NZ-OD2 3.32Å; V315-D454 HydrophobicContact CG1-CB 4.14Å; V315-D454 HydrophobicContact CG2-CB 4.48Å; A450-D454 WeakPolarHBondContact O-CB 3.38Å; A450-D454 PolarHBondContact O-N 3.35Å; L451-D454 WeakPolarHBondContact O-CB 3.34Å; L451-D454 PolarHBondContact O-N 2.91Å; V452-D454 VanDerWaalsContact C-N 3.32Å; D454-L456 PolarHBondContact O-N 3.31Å; D454-F457 PolarHBondContact O-N 3.08Å; D454-L458 PolarHBondContact O-N 3.07Å
455R90.9Very high91.1Very high62 Ų6238.9 Ų38.923%0.23419%0.186CC..Hα-helixtrans-70.9-31.1179.1-63.2-74-175.4-144.22.2113I344 M346 L451 V452 V453 L458 W459I344-R455 HydrophobicContact CG2-CB 3.67Å; M346-R455 HydrophobicContact CE-CB 3.43Å; M346-R455 VanDerWaalsContact CE-CB 3.43Å; M346-R455 HydrophobicContact CE-CG 3.4Å; M346-R455 VanDerWaalsContact CE-CG 3.4Å; M346-R455 HydrophobicContact SD-CB 4.48Å; M346-R455 HydrophobicContact SD-CG 3.8Å; L451-R455 VanDerWaalsContact O-CG 3.29Å; L451-R455 WeakPolarHBondContact O-CG 3.13Å; L451-R455 PolarHBondContact O-N 3.05Å; L451-R455 VanDerWaalsContact O-N 3.1Å; V452-R455 PolarHBondContact O-N 2.84Å; V453-R455 PolarHBondContact O-N 3.45Å; R455-L458 WeakPolarHBondContact O-CB 3.37Å; R455-L458 PolarHBondContact O-N 3.16Å; R455-W459 PolarHBondContact O-N 2.98Å; R455-W459 VanDerWaalsContact O-N 3.16Å
456L91.5Very high91.2Very high55 Ų5542 Ų4229%0.28821%0.205SC..Hα-helixtrans-62.5-47.6171.5-179.1147.7000110.3L340 I344 V452 V453 D454 L458 W459 L460L340-L456 HydrophobicContact CD1-CD1 3.82Å; L340-L456 HydrophobicContact CD2-CB 4.42Å; L340-L456 HydrophobicContact CD2-CD1 3.46Å; L340-L456 VanDerWaalsContact CD2-CD1 3.46Å; L340-L456 HydrophobicContact CG-CD1 4.08Å; I344-L456 HydrophobicContact CD1-CB 3.91Å; V452-L456 PolarHBondContact O-N 3.02Å; V452-L456 VanDerWaalsContact O-N 3.08Å; V453-L456 WeakPolarHBondContact O-CB 3.35Å; V453-L456 PolarHBondContact O-N 3.22Å; D454-L456 PolarHBondContact O-N 3.31Å; L456-L458 VanDerWaalsContact C-N 3.31Å; L456-L458 PolarHBondContact O-N 2.85Å; L456-W459 PolarHBondContact O-N 3.09Å; L456-L460 WeakPolarHBondContact O-CB 3.24Å; L456-L460 PolarHBondContact O-N 2.86Å
457F92.1Very high91.4Very high35 Ų3547.2 Ų47.215%0.15423%0.233CC..Hα-helixtrans-64.4-36.6177-64.4-36.3000112F253 L311 V315 V453 D454 W459 L460 F461F253-F457 HydrophobicContact CD1-CB 3.86Å; F253-F457 HydrophobicContact CE1-CB 3.77Å; F253-F457 HydrophobicContact CE1-CD2 4.29Å; F253-F457 HydrophobicContact CE1-CG 4.42Å; F253-F457 HydrophobicContact CG-CB 4.36Å; F253-F457 HydrophobicContact CZ-CB 4.17Å; L311-F457 HydrophobicContact CB-CD2 4.06Å; L311-F457 HydrophobicContact CB-CE2 4.1Å; L311-F457 HydrophobicContact CD1-CD1 3.97Å; L311-F457 HydrophobicContact CD1-CD2 4.3Å; L311-F457 HydrophobicContact CD1-CE1 4.23Å; L311-F457 HydrophobicContact CD1-CG 4.04Å; L311-F457 HydrophobicContact CD1-CZ 4.5Å; L311-F457 HydrophobicContact CD2-CD2 4.49Å; L311-F457 HydrophobicContact CD2-CE1 4.03Å; L311-F457 HydrophobicContact CD2-CE2 3.9Å; L311-F457 HydrophobicContact CD2-CZ 3.68Å; L311-F457 HydrophobicContact CG-CE2 4.38Å; L311-F457 HydrophobicContact CG-CZ 4.5Å; V315-F457 HydrophobicContact CG2-CD2 3.99Å; V315-F457 HydrophobicContact CG2-CE2 4.06Å; V453-F457 HydrophobicContact CG1-CD2 3.73Å; V453-F457 HydrophobicContact CG1-CE2 3.15Å; V453-F457 HydrophobicContact CG1-CZ 3.67Å; V453-F457 WeakPolarHBondContact O-CD2 3.4Å; V453-F457 WeakPolarHBondContact O-CG 3.39Å; V453-F457 PolarHBondContact O-N 2.84Å; D454-F457 PolarHBondContact O-N 3.08Å; F457-W459 PolarHBondContact O-N 2.96Å; F457-L460 PolarHBondContact O-N 3.48Å; F457-F461 VanDerWaalsContact O-CB 3.29Å; F457-F461 WeakPolarHBondContact O-CB 3.38Å; F457-F461 VanDerWaalsContact O-CD2 3.29Å; F457-F461 WeakPolarHBondContact O-CD2 3.33Å; F457-F461 PolarHBondContact O-N 3.24Å
458L93.1Very high91.5Very high23 Ų2343.9 Ų43.912%0.1222%0.221CC..Hα-helixtrans-54.5-54.5172.7-172.7158.7000111.7I250 F253 Y254 D454 R455 L456 L460 F461 V462I250-L458 HydrophobicContact CG2-CG 4.33Å; F253-L458 HydrophobicContact CB-CB 3.85Å; F253-L458 HydrophobicContact CB-CD1 4.5Å; F253-L458 HydrophobicContact CB-CG 4.41Å; Y254-L458 HydrophobicContact CD2-CD1 4.06Å; D454-L458 PolarHBondContact O-N 3.07Å; R455-L458 WeakPolarHBondContact O-CB 3.37Å; R455-L458 PolarHBondContact O-N 3.16Å; L456-L458 VanDerWaalsContact C-N 3.31Å; L456-L458 PolarHBondContact O-N 2.85Å; L458-L460 PolarHBondContact O-N 3.32Å; L458-F461 PolarHBondContact O-N 3.1Å; L458-V462 HydrophobicContact CD2-CG2 4.03Å; L458-V462 VanDerWaalsContact O-CG2 3.3Å; L458-V462 WeakPolarHBondContact O-CG2 3.46Å; L458-V462 PolarHBondContact O-N 3.08Å
459W91.5Very high91.6Very high145 Ų14544.4 Ų44.455%0.54923%0.226SC..Hα-helixtrans-64.3-41-179.1-76.9112000112.6R455 L456 F457 F461 V462 I463R455-W459 PolarHBondContact O-N 2.98Å; R455-W459 VanDerWaalsContact O-N 3.16Å; L456-W459 PolarHBondContact O-N 3.09Å; F457-W459 PolarHBondContact O-N 2.96Å; W459-F461 VanDerWaalsContact C-N 3.34Å; W459-F461 PolarHBondContact O-N 3.35Å; W459-V462 PolarHBondContact O-N 2.86Å; W459-I463 VanDerWaalsContact O-CG1 3.3Å; W459-I463 WeakPolarHBondContact O-CG1 3.45Å; W459-I463 PolarHBondContact O-N 3.3Å
460L91.4Very high91.7Very high74 Ų7449.2 Ų49.239%0.38725%0.251SS..Hα-helixtrans-60.7-44.4175.7179.4143.9000111.3L456 F457 L458 I463 I464L456-L460 WeakPolarHBondContact O-CB 3.24Å; L456-L460 PolarHBondContact O-N 2.86Å; F457-L460 PolarHBondContact O-N 3.48Å; L458-L460 PolarHBondContact O-N 3.32Å; L460-I463 PolarHBondContact O-N 2.85Å; L460-I464 HydrophobicContact CD2-CD1 3.48Å; L460-I464 VanDerWaalsContact CD2-CD1 3.48Å; L460-I464 HydrophobicContact CG-CD1 3.9Å; L460-I464 VanDerWaalsContact O-CG1 3.3Å; L460-I464 WeakPolarHBondContact O-CG1 3.39Å; L460-I464 PolarHBondContact O-N 3.34Å
461F92.1Very high91.7Very high9 Ų952.1 Ų52.14%0.03928%0.275CS..Hα-helixtrans-66.7-43.1177.9-94.2-108.1000112.3F253 L304 F307 L311 F457 L458 W459 I463 I464 T465F253-F461 HydrophobicContact CD2-CB 4.49Å; F253-F461 HydrophobicContact CD2-CG 4.27Å; F253-F461 HydrophobicContact CE2-CB 4.27Å; F253-F461 AromaticContact CE2-CD1 3.74Å; F253-F461 HydrophobicContact CE2-CD1 3.74Å; F253-F461 AromaticContact CE2-CD2 3.69Å; F253-F461 HydrophobicContact CE2-CD2 3.69Å; F253-F461 AromaticContact CE2-CE1 3.98Å; F253-F461 HydrophobicContact CE2-CE1 3.98Å; F253-F461 AromaticContact CE2-CE2 3.95Å; F253-F461 HydrophobicContact CE2-CE2 3.95Å; F253-F461 AromaticContact CE2-CG 3.59Å; F253-F461 HydrophobicContact CE2-CG 3.59Å; F253-F461 HydrophobicContact CE2-CZ 4.09Å; F253-F461 HydrophobicContact CZ-CD2 4.02Å; F253-F461 HydrophobicContact CZ-CE1 4.41Å; F253-F461 AromaticContact CZ-CE2 3.89Å; F253-F461 HydrophobicContact CZ-CE2 3.89Å; F253-F461 HydrophobicContact CZ-CG 4.36Å; F253-F461 HydrophobicContact CZ-CZ 4.09Å; L304-F461 HydrophobicContact CD2-CD1 3.54Å; L304-F461 HydrophobicContact CD2-CE1 3.44Å; L304-F461 VanDerWaalsContact CD2-CE1 3.44Å; L304-F461 HydrophobicContact CG-CD1 3.96Å; L304-F461 HydrophobicContact CG-CE1 3.6Å; L304-F461 HydrophobicContact CG-CZ 4.45Å; L304-F461 VanDerWaalsContact O-CE1 3.3Å; L304-F461 WeakPolarHBondContact O-CE1 3.43Å; F307-F461 HydrophobicContact CB-CZ 4.34Å; L311-F461 HydrophobicContact CD1-CE2 3.54Å; L311-F461 HydrophobicContact CD1-CZ 4.12Å; F457-F461 VanDerWaalsContact O-CB 3.29Å; F457-F461 WeakPolarHBondContact O-CB 3.38Å; F457-F461 VanDerWaalsContact O-CD2 3.29Å; F457-F461 WeakPolarHBondContact O-CD2 3.33Å; F457-F461 PolarHBondContact O-N 3.24Å; L458-F461 PolarHBondContact O-N 3.1Å; W459-F461 VanDerWaalsContact C-N 3.34Å; W459-F461 PolarHBondContact O-N 3.35Å; F461-I463 VanDerWaalsContact C-N 3.3Å; F461-I463 PolarHBondContact O-N 3.31Å; F461-I464 PolarHBondContact O-N 3.45Å; F461-T465 VanDerWaalsContact O-CB 3.29Å; F461-T465 WeakPolarHBondContact O-CB 3.46Å; F461-T465 VanDerWaalsContact O-CG2 3.25Å; F461-T465 WeakPolarHBondContact O-CG2 3.4Å; F461-T465 PolarHBondContact O-N 2.87Å; F461-T465 PolarHBondContact O-OG1 3.43Å
462V93.2Very high91.8Very high41 Ų4150.3 Ų50.325%0.24827%0.266CS..Hα-helixtrans-57.1-45.51751700000110.7I250 L458 W459 T465 T466I250-V462 HydrophobicContact CD1-CG2 4.16Å; I250-V462 HydrophobicContact CG1-CG2 4.38Å; I250-V462 HydrophobicContact CG2-CG2 3.63Å; L458-V462 HydrophobicContact CD2-CG2 4.03Å; L458-V462 VanDerWaalsContact O-CG2 3.3Å; L458-V462 WeakPolarHBondContact O-CG2 3.46Å; L458-V462 PolarHBondContact O-N 3.08Å; W459-V462 PolarHBondContact O-N 2.86Å; V462-T465 WeakPolarHBondContact CA-OG1 3.29Å; V462-T465 PolarHBondContact O-OG1 2.97Å; V462-T465 VanDerWaalsContact O-OG1 3.04Å; V462-T466 HydrophobicContact CG1-CG2 4.38Å; V462-T466 VanDerWaalsContact O-CB 3.3Å; V462-T466 WeakPolarHBondContact O-CB 3.28Å; V462-T466 WeakPolarHBondContact O-CG2 3.38Å; V462-T466 PolarHBondContact O-N 3.25Å; V462-T466 PolarHBondContact O-OG1 2.84Å
463I93.3Very high91.7Very high91 Ų9153.1 Ų53.147%0.46728%0.279SS..Hα-helixtrans-65.5-48.7179.5-67.3166.1000111.2W459 L460 F461 T466 L467W459-I463 VanDerWaalsContact O-CG1 3.3Å; W459-I463 WeakPolarHBondContact O-CG1 3.45Å; W459-I463 PolarHBondContact O-N 3.3Å; L460-I463 PolarHBondContact O-N 2.85Å; F461-I463 VanDerWaalsContact C-N 3.3Å; F461-I463 PolarHBondContact O-N 3.31Å; I463-T466 PolarHBondContact O-N 2.87Å; I463-T466 PolarHBondContact O-OG1 3.49Å; I463-T466 VanDerWaalsContact O-OG1 3.13Å; I463-L467 HydrophobicContact CG2-CD1 3.62Å; I463-L467 HydrophobicContact CG2-CG 4.36Å; I463-L467 VanDerWaalsContact O-CB 3.31Å; I463-L467 WeakPolarHBondContact O-CB 3.33Å; I463-L467 VanDerWaalsContact O-CG 3.3Å; I463-L467 WeakPolarHBondContact O-CG 3.37Å; I463-L467 PolarHBondContact O-N 2.88Å
464I93.1Very high91.6Very high73 Ų7356.6 Ų56.637%0.37430%0.297SS..Hα-helixtrans-65.7-43.7-177.8-66.9173.3000111.2F300 L304 L460 F461 G468F300-I464 HydrophobicContact CE2-CG2 4.42Å; F300-I464 HydrophobicContact CZ-CG2 3.89Å; L304-I464 HydrophobicContact CD1-CB 4.42Å; L304-I464 HydrophobicContact CD1-CG2 3.69Å; L460-I464 HydrophobicContact CD2-CD1 3.48Å; L460-I464 VanDerWaalsContact CD2-CD1 3.48Å; L460-I464 HydrophobicContact CG-CD1 3.9Å; L460-I464 VanDerWaalsContact O-CG1 3.3Å; L460-I464 WeakPolarHBondContact O-CG1 3.39Å; L460-I464 PolarHBondContact O-N 3.34Å; F461-I464 PolarHBondContact O-N 3.45Å; I464-G468 PolarHBondContact O-N 3.37Å
465T91.6Very high91.5Very high10 Ų1060.2 Ų60.26%0.06132%0.316CS..Hα-helixtrans-63.9-46.5177.950.50000111.8I250 L304 F461 V462 G468 T469I250-T465 HydrophobicContact CD1-CG2 4.38Å; L304-T465 HydrophobicContact CD1-CG2 3.51Å; L304-T465 HydrophobicContact CD2-CG2 3.58Å; L304-T465 HydrophobicContact CG-CG2 4.2Å; F461-T465 VanDerWaalsContact O-CB 3.29Å; F461-T465 WeakPolarHBondContact O-CB 3.46Å; F461-T465 VanDerWaalsContact O-CG2 3.25Å; F461-T465 WeakPolarHBondContact O-CG2 3.4Å; F461-T465 PolarHBondContact O-N 2.87Å; F461-T465 PolarHBondContact O-OG1 3.43Å; V462-T465 WeakPolarHBondContact CA-OG1 3.29Å; V462-T465 PolarHBondContact O-OG1 2.97Å; V462-T465 VanDerWaalsContact O-OG1 3.04Å; T465-G468 PolarHBondContact O-N 3.32Å; T465-T469 WeakPolarHBondContact O-CB 3.37Å; T465-T469 WeakPolarHBondContact O-CG2 3.28Å; T465-T469 PolarHBondContact O-N 2.93Å; T465-T469 PolarHBondContact O-OG1 2.77Å
466T91.8Very high91.4Very high71 Ų7157.4 Ų57.444%0.43631%0.306SS..Hα-helixtrans-68.3-41.9-179.153.10000112.5V462 I463 T469 L470V462-T466 HydrophobicContact CG1-CG2 4.38Å; V462-T466 VanDerWaalsContact O-CB 3.3Å; V462-T466 WeakPolarHBondContact O-CB 3.28Å; V462-T466 WeakPolarHBondContact O-CG2 3.38Å; V462-T466 PolarHBondContact O-N 3.25Å; V462-T466 PolarHBondContact O-OG1 2.84Å; I463-T466 PolarHBondContact O-N 2.87Å; I463-T466 PolarHBondContact O-OG1 3.49Å; I463-T466 VanDerWaalsContact O-OG1 3.13Å; T466-T469 PolarHBondContact O-OG1 3.5Å; T466-L470 WeakPolarHBondContact O-CB 3.38Å; T466-L470 PolarHBondContact O-N 3.33Å; T466-L470 VanDerWaalsContact O-N 3.09Å
467L93.2Very high91.2Very high115 Ų11556.8 Ų56.860%0.60231%0.307SS*.Hα-helixtrans-67.3-42.1175.6-71.3173.4000111.6I463 A471I463-L467 HydrophobicContact CG2-CD1 3.62Å; I463-L467 HydrophobicContact CG2-CG 4.36Å; I463-L467 VanDerWaalsContact O-CB 3.31Å; I463-L467 WeakPolarHBondContact O-CB 3.33Å; I463-L467 VanDerWaalsContact O-CG 3.3Å; I463-L467 WeakPolarHBondContact O-CG 3.37Å; I463-L467 PolarHBondContact O-N 2.88Å; L467-A471 VanDerWaalsContact O-CB 3.24Å; L467-A471 WeakPolarHBondContact O-CB 3.36Å; L467-A471 PolarHBondContact O-N 3.39Å
468G91.4Very high90.9Very high14 Ų1462.2 Ų62.214%0.14433%0.33CS..Hα-helixtrans-64.3-46.317900000112.6I464 T465 V472I464-G468 PolarHBondContact O-N 3.37Å; T465-G468 PolarHBondContact O-N 3.32Å; G468-V472 VanDerWaalsContact O-CG2 3.3Å; G468-V472 WeakPolarHBondContact O-CG2 3.27Å; G468-V472 PolarHBondContact O-N 2.93Å
469T91.1Very high90.7Very high34 Ų3462.8 Ų62.821%0.20933%0.333CS..Hα-helixtrans-62-47.9176.453.70000111Y297 T465 T466 A471 V472 F473Y297-T469 HydrophobicContact CE2-CG2 3.66Å; T465-T469 WeakPolarHBondContact O-CB 3.37Å; T465-T469 WeakPolarHBondContact O-CG2 3.28Å; T465-T469 PolarHBondContact O-N 2.93Å; T465-T469 PolarHBondContact O-OG1 2.77Å; T466-T469 PolarHBondContact O-OG1 3.5Å; T469-A471 PolarHBondContact O-N 2.95Å; T469-V472 PolarHBondContact O-N 3.44Å; T469-F473 WeakPolarHBondContact O-CD2 3.47Å; T469-F473 PolarHBondContact O-N 3.37Å
470L91.1Very high90.5Very high104 Ų10463.3 Ų63.355%0.54534%0.337SS..Hα-helixtrans-67.7-39.2-174.7-153.5153.6000111.5T466 F473 L474T466-L470 WeakPolarHBondContact O-CB 3.38Å; T466-L470 PolarHBondContact O-N 3.33Å; T466-L470 VanDerWaalsContact O-N 3.09Å; L470-F473 PolarHBondContact O-N 2.94Å; L470-L474 HydrophobicContact CD2-CD1 3.35Å; L470-L474 HydrophobicContact CD2-CG 3.75Å; L470-L474 VanDerWaalsContact O-CB 3.3Å; L470-L474 WeakPolarHBondContact O-CB 3.43Å; L470-L474 VanDerWaalsContact O-CG 3.25Å; L470-L474 WeakPolarHBondContact O-CG 3.31Å; L470-L474 PolarHBondContact O-N 2.79Å
471A91.4Very high90.3Very high61 Ų6160.9 Ų60.950%0.50433%0.325SS..Hα-helixtrans-60.4-47175.100000112.5L467 T469 D475L467-A471 VanDerWaalsContact O-CB 3.24Å; L467-A471 WeakPolarHBondContact O-CB 3.36Å; L467-A471 PolarHBondContact O-N 3.39Å; T469-A471 PolarHBondContact O-N 2.95Å; A471-D475 WeakPolarHBondContact O-CB 3.28Å; A471-D475 PolarHBondContact O-N 3.24Å; A471-D475 VanDerWaalsContact O-N 3.09Å
472V90.4Very high90.1Very high26 Ų2662.8 Ų62.816%0.15834%0.338CS..Hα-helixtrans-64.6-45.8179.6171.50000111.4I293 Y297 G468 T469 D475 A476I293-V472 HydrophobicContact CD1-CG1 4.18Å; I293-V472 HydrophobicContact CG1-CG1 3.63Å; Y297-V472 HydrophobicContact CD2-CG1 4.34Å; Y297-V472 HydrophobicContact CG-CG1 4.46Å; G468-V472 VanDerWaalsContact O-CG2 3.3Å; G468-V472 WeakPolarHBondContact O-CG2 3.27Å; G468-V472 PolarHBondContact O-N 2.93Å; T469-V472 PolarHBondContact O-N 3.44Å; V472-D475 PolarHBondContact O-N 3.48Å; V472-A476 WeakPolarHBondContact O-CB 3.23Å; V472-A476 PolarHBondContact O-N 2.89Å
473F88.1Confident89.9Confident59 Ų5968 Ų6826%0.25936%0.364SS..Hα-helixtrans-71.9-31.6-179.1-72.9-60.3000113.2I239 I243 T469 L470 S477I239-F473 HydrophobicContact CB-CZ 4.49Å; I239-F473 HydrophobicContact CD1-CE1 3.85Å; I239-F473 HydrophobicContact CD1-CZ 4.41Å; I239-F473 HydrophobicContact CG1-CE1 4.23Å; I239-F473 HydrophobicContact CG1-CZ 4.3Å; I239-F473 HydrophobicContact CG2-CE1 3.89Å; I239-F473 HydrophobicContact CG2-CE2 4.41Å; I239-F473 HydrophobicContact CG2-CZ 3.44Å; I239-F473 VanDerWaalsContact CG2-CZ 3.44Å; I243-F473 HydrophobicContact CD1-CE2 4.38Å; T469-F473 WeakPolarHBondContact O-CD2 3.47Å; T469-F473 PolarHBondContact O-N 3.37Å; L470-F473 PolarHBondContact O-N 2.94Å; F473-S477 VanDerWaalsContact O-CB 3.25Å; F473-S477 WeakPolarHBondContact O-CB 3.28Å; F473-S477 PolarHBondContact O-N 3.09Å; F473-S477 PolarHBondContact O-OG 3.37Å
474L89.6Confident89.7Confident82 Ų8269 Ų6943%0.42937%0.371SS..Hα-helixtrans-64.6-49.9172.8-78.8-179.6000110.9L470 A476 S477 F478L470-L474 HydrophobicContact CD2-CD1 3.35Å; L470-L474 HydrophobicContact CD2-CG 3.75Å; L470-L474 VanDerWaalsContact O-CB 3.3Å; L470-L474 WeakPolarHBondContact O-CB 3.43Å; L470-L474 VanDerWaalsContact O-CG 3.25Å; L470-L474 WeakPolarHBondContact O-CG 3.31Å; L470-L474 PolarHBondContact O-N 2.79Å; L474-A476 VanDerWaalsContact C-N 3.31Å; L474-A476 PolarHBondContact O-N 3.47Å; L474-S477 WeakPolarHBondContact CA-OG 3.29Å; L474-S477 PolarHBondContact O-N 2.87Å; L474-S477 PolarHBondContact O-OG 3.42Å; L474-F478 HydrophobicContact CB-CE2 4.26Å; L474-F478 HydrophobicContact CD2-CE2 4.37Å; L474-F478 WeakPolarHBondContact O-CD2 3.43Å; L474-F478 PolarHBondContact O-N 3.27Å; L474-F478 VanDerWaalsContact O-N 3.13Å
475D90.1Very high89.4Confident80 Ų8067 Ų6743%0.42836%0.363SS..Hα-helixtrans-57.5-46.1177.2-17324.9000111.1Y151 I293 A471 V472 S477 F478Y151-D475 PolarHBondContact OH-OD1 3.04Å; I293-D475 HydrophobicContact CD1-CB 4.23Å; A471-D475 WeakPolarHBondContact O-CB 3.28Å; A471-D475 PolarHBondContact O-N 3.24Å; A471-D475 VanDerWaalsContact O-N 3.09Å; V472-D475 PolarHBondContact O-N 3.48Å; D475-S477 VanDerWaalsContact C-N 3.31Å; D475-S477 PolarHBondContact O-N 2.85Å; D475-F478 PolarHBondContact O-N 3.04Å
476A88.4Confident89.1Confident3 Ų370.8 Ų70.83%0.02538%0.378CS..Hα-helixtrans-60.2-38.7174.200000113.3F154 I293 V472 L474 F478 N479F154-A476 HydrophobicContact CB-CB 4.43Å; F154-A476 HydrophobicContact CD2-CB 3.66Å; F154-A476 HydrophobicContact CE2-CB 4.12Å; F154-A476 HydrophobicContact CG-CB 4.13Å; I293-A476 HydrophobicContact CD1-CB 3.99Å; V472-A476 WeakPolarHBondContact O-CB 3.23Å; V472-A476 PolarHBondContact O-N 2.89Å; L474-A476 VanDerWaalsContact C-N 3.31Å; L474-A476 PolarHBondContact O-N 3.47Å; A476-F478 VanDerWaalsContact C-N 3.3Å; A476-F478 PolarHBondContact O-N 2.98Å; A476-N479 PolarHBondContact O-N 3.38Å
477S86.2Confident87.9Confident43 Ų4376.1 Ų76.130%0.30141%0.414SS..Hα-helixtrans-70.7-24.3-178.571.60000113.5F473 L474 D475 N479 Y480F473-S477 VanDerWaalsContact O-CB 3.25Å; F473-S477 WeakPolarHBondContact O-CB 3.28Å; F473-S477 PolarHBondContact O-N 3.09Å; F473-S477 PolarHBondContact O-OG 3.37Å; L474-S477 WeakPolarHBondContact CA-OG 3.29Å; L474-S477 PolarHBondContact O-N 2.87Å; L474-S477 PolarHBondContact O-OG 3.42Å; D475-S477 VanDerWaalsContact C-N 3.31Å; D475-S477 PolarHBondContact O-N 2.85Å; S477-N479 VanDerWaalsContact C-N 3.33Å; S477-Y480 WeakPolarHBondContact O-CE2 3.41Å; S477-Y480 PolarHBondContact O-OH 3.07Å; S477-Y480 VanDerWaalsContact O-OH 3.13Å
478F87.6Confident87.6Confident149 Ų14974.2 Ų74.265%0.65441%0.405SS*.THydrogen-bonded Turntrans-84.5-6.8179-70.3-59.4000113.5L474 D475 A476 Y480L474-F478 HydrophobicContact CB-CE2 4.26Å; L474-F478 HydrophobicContact CD2-CE2 4.37Å; L474-F478 WeakPolarHBondContact O-CD2 3.43Å; L474-F478 PolarHBondContact O-N 3.27Å; L474-F478 VanDerWaalsContact O-N 3.13Å; D475-F478 PolarHBondContact O-N 3.04Å; A476-F478 VanDerWaalsContact C-N 3.3Å; A476-F478 PolarHBondContact O-N 2.98Å; F478-Y480 VanDerWaalsContact C-N 3.32Å; F478-Y480 PolarHBondContact O-N 3.41Å
479N88.3Confident87.4Confident34 Ų3477.3 Ų77.318%0.18242%0.418CS..  trans-79.478.7176.3-172.647.1000111.5Y151 F154 W156 A476 S477Y151-N479 WeakPolarHBondContact CB-ND2 3.35Å; Y151-N479 HydrophobicContact CD1-CB 3.73Å; Y151-N479 HydrophobicContact CD2-CB 4.13Å; Y151-N479 HydrophobicContact CE1-CB 4.07Å; Y151-N479 HydrophobicContact CE2-CB 4.44Å; Y151-N479 HydrophobicContact CG-CB 3.76Å; F154-N479 PolarHBondContact O-ND2 3.15Å; W156-N479 PolarHBondContact NE1-OD1 2.96Å; A476-N479 PolarHBondContact O-N 3.38Å; S477-N479 VanDerWaalsContact C-N 3.33Å
480Y86.6Confident87.2Confident157 Ų15779.7 Ų79.762%0.61643%0.43SS*.PPolyproline II helixtrans-97.5153173.4-63.8-70.5000111.7S477 F478S477-Y480 WeakPolarHBondContact O-CE2 3.41Å; S477-Y480 PolarHBondContact O-OH 3.07Å; S477-Y480 VanDerWaalsContact O-OH 3.13Å; F478-Y480 VanDerWaalsContact C-N 3.32Å; F478-Y480 PolarHBondContact O-N 3.41Å
481T87.4Confident87Confident22 Ų2278.3 Ų78.314%0.13542%0.423CS..PPolyproline II helixtrans-60138.617051.10000110.6W156 R205 I226 E228W156-T481 HydrophobicContact CB-CG2 3.41Å; W156-T481 VanDerWaalsContact CB-CG2 3.41Å; W156-T481 HydrophobicContact CD2-CG2 4.24Å; W156-T481 HydrophobicContact CG-CG2 3.65Å; R205-T481 HydrophobicContact CB-CG2 4.42Å; R205-T481 HydrophobicContact CG-CG2 4Å; I226-T481 HydrophobicContact CG2-CG2 4.18Å; E228-T481 HydrophobicContact CB-CG2 4.21Å
482P89.1Confident86.7Confident50 Ų5079.4 Ų79.433%0.32542%0.418SS..PPolyproline II helixtrans-62.4147.4175.926-33.5000111.6H206 N484H206-P482 PolarHBondContact NE2-O 3.12Å; P482-N484 VanDerWaalsContact C-N 3.28Å; P482-N484 PolarHBondContact O-N 2.96Å
483D88.6Confident86.4Confident150 Ų15082.9 Ų82.980%0.80244%0.436SS*.SBendtrans-63.8-34.9-179.9-69.8-36.5000112.2H206H206-D483 PolarHBondContact CE1-O 3.37Å; H206-D483 PolarHBondContact NE2-O 3.02Å
484N89.1Confident86.3Confident112 Ų11284.6 Ų84.660%0.59945%0.448SS*.SBendtrans-107.1134174.9-70.7-34.4000110.2P482 F486P482-N484 VanDerWaalsContact C-N 3.28Å; P482-N484 PolarHBondContact O-N 2.96Å; N484-F486 PolarHBondContact O-N 3.3Å
485P86.8Confident86Confident32 Ų3284.8 Ų84.821%0.20845%0.45CS..SBendtrans-69.7-22.317929.1-36000113.2H206 P208 I226H206-P485 HydrophobicContact CB-CB 4.02Å; P208-P485 HydrophobicContact CG-CB 3.93Å; P208-P485 HydrophobicContact CG-CG 4.07Å; I226-P485 HydrophobicContact CD1-CB 3.6Å
486F85.6Confident85.7Confident88 Ų8885.3 Ų85.339%0.38645%0.452SS..  trans-129.398.1176.5-52-68.5000108.5P208 Y224 N484P208-F486 HydrophobicContact CB-CE2 3.72Å; P208-F486 HydrophobicContact CB-CZ 4.17Å; P208-F486 HydrophobicContact CG-CE2 3.56Å; P208-F486 HydrophobicContact CG-CZ 3.65Å; Y224-F486 AromaticContact CD2-CE1 3.99Å; Y224-F486 HydrophobicContact CD2-CE1 3.99Å; Y224-F486 AromaticContact CD2-CZ 3.58Å; Y224-F486 HydrophobicContact CD2-CZ 3.58Å; Y224-F486 AromaticContact CE2-CE1 3.92Å; Y224-F486 HydrophobicContact CE2-CE1 3.92Å; Y224-F486 AromaticContact CE2-CZ 3.79Å; Y224-F486 HydrophobicContact CE2-CZ 3.79Å; Y224-F486 HydrophobicContact CG-CE1 4.32Å; Y224-F486 HydrophobicContact CG-CZ 4.16Å; N484-F486 PolarHBondContact O-N 3.3Å
487P64.8Low85.5Confident183 Ų18392.7 Ų92.7100%1.18849%0.49SS*.  trans-72.70176.228.5-33.3000113.6

Retrieved 487 of 487 residues in 621.1 ms (Link to these results)

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