A0A087X908_POEFO Loading...

Scm like with four mbt domains 1

AlphaFold DB , UniProt , Accession A0A087X908, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 867 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
1M32.3Very low28.2Very low245 Ų245149.8 Ų149.8100%1.20785%0.853SS**  0111.60-76.8-58.4-167.700106.4
2S30Very low28Very low116 Ų116145.8 Ų145.881%0.81184%0.839SS**  trans-101.2144.7-177.3-45.10000109.2
3Q24.7Very low28.3Very low198 Ų198141 Ų14193%0.92583%0.828SS**  trans-133139157.4-75-168.2-41.600108
4E27.2Very low28.5Very low186 Ų186142.2 Ų142.287%0.86982%0.822SS**PPolyproline II helixtrans-94.2146.8-166.2-65.7154.4127.500110.9
5T23.4Very low28.8Very low127 Ų127141.3 Ų141.378%0.77981%0.812SS**PPolyproline II helixtrans-76130.5170.443.90000110.2
6P30.1Very low29.6Very low122 Ų122137.2 Ų137.279%0.79279%0.79SS**PPolyproline II helixtrans-83.3116.3172.331.6-30.8000110.9
7D28.5Very low30.7Very low157 Ų157134.1 Ų134.184%0.8479%0.785SS**PPolyproline II helixtrans-63.6146.7163.4-68-52.1000110.7
8S27.6Very low32.7Very low114 Ų114135.1 Ų135.180%0.79779%0.786SS**  trans-147.968174.2179.70000111.3G10S8-G10 PolarHBondContact O-N 3.37Å
9D32.4Very low35.2Very low171 Ų171130.7 Ų130.791%0.91476%0.757SS**  trans-50.1127.3162.4-88.7-39.5000110.4
10G25.6Very low37.6Very low64 Ų64126.8 Ų126.866%0.6674%0.737SS**  trans-15926.3-173.100000113.4S8 C12S8-G10 PolarHBondContact O-N 3.37Å; G10-C12 PolarHBondContact O-N 2.92Å
11D28.7Very low39.8Very low148 Ų148121.1 Ų121.179%0.79170%0.704SS**  trans-61.1103.5-176.7-177.619.1000111.4A13D11-A13 VanDerWaalsContact C-N 3.29Å; D11-A13 PolarHBondContact O-N 3.04Å
12C26Very low41.9Very low101 Ų101115.7 Ų115.768%0.68268%0.679SS**  trans-92.266.4177.4-1640000109.3G10 Q14G10-C12 PolarHBondContact O-N 2.92Å; C12-Q14 PolarHBondContact O-N 3.42Å
13A31.9Very low44.4Very low84 Ų84112.8 Ų112.869%0.69466%0.655SS**  trans-58.794.7175.500000111D11D11-A13 VanDerWaalsContact C-N 3.29Å; D11-A13 PolarHBondContact O-N 3.04Å
14Q30.8Very low47.3Very low158 Ų158104.5 Ų104.574%0.73862%0.615SS**  trans-75.9124.9168.7-64.2-179.56.700107.6C12 V16C12-Q14 PolarHBondContact O-N 3.42Å; Q14-V16 PolarHBondContact O-N 3.08Å
15D32.6Very low49.9Very low128 Ų12897.2 Ų97.268%0.68458%0.582SS**  trans-61.587.2166.7-100.4-22.1000107.5A17 H578D15-A17 PolarHBondContact O-N 3.06Å; D15-H578 IonicContact OD1-CE1 2.77Å; D15-H578 IonicContact OD2-CE1 2.61Å; D15-H578 PolarHBondContact OD2-CE1 2.9Å; D15-H578 VanDerWaalsContact OD2-CE1 3.26Å; D15-H578 IonicContact OD2-ND1 3.43Å; D15-H578 PolarHBondContact OD2-ND1 2.77Å; D15-H578 VanDerWaalsContact OD2-ND1 3.14Å
16V41.2Very low52.8Low76 Ų7695.5 Ų95.546%0.46157%0.565SS.*PPolyproline II helixtrans-67.4128.3166.9-176.30000106.5Q14Q14-V16 PolarHBondContact O-N 3.08Å
17A48.9Very low55.5Low84 Ų8495.8 Ų95.869%0.69456%0.556SS**PPolyproline II helixtrans-73.7129.5175.500000109.2D15 F19D15-A17 PolarHBondContact O-N 3.06Å; A17-F19 PolarHBondContact O-N 3.32Å
18D66.7Low58.2Low152 Ų15290.6 Ų90.681%0.81353%0.53SS*.PPolyproline II helixtrans-49.8128.4176.2-52.7-51.5000110.2
19F80.4Confident61.1Low52 Ų5294 Ų9423%0.22853%0.533CS..PPolyproline II helixtrans-65.2148.2179.2177.1-97000110.6A17 W21 Y24 V409 L456 Y458A17-F19 PolarHBondContact O-N 3.32Å; F19-W21 AromaticContact CE1-CD1 3.84Å; F19-W21 AromaticContact CE1-CD2 3.7Å; F19-W21 HydrophobicContact CE1-CD2 3.7Å; F19-W21 AromaticContact CE1-CE2 3.72Å; F19-W21 HydrophobicContact CE1-CE3 4.31Å; F19-W21 AromaticContact CE1-CG 3.82Å; F19-W21 HydrophobicContact CE1-CG 3.82Å; F19-W21 HydrophobicContact CE1-CZ2 4.36Å; F19-W21 AromaticContact CE1-NE1 3.77Å; F19-W21 AromaticContact CZ-CD2 3.92Å; F19-W21 HydrophobicContact CZ-CD2 3.92Å; F19-W21 HydrophobicContact CZ-CE3 4.06Å; F19-W21 HydrophobicContact CZ-CG 4.38Å; F19-W21 HydrophobicContact CZ-CZ3 4.44Å; F19-Y24 HydrophobicContact CE2-CD1 4.07Å; F19-Y24 HydrophobicContact CE2-CD2 4.01Å; F19-Y24 AromaticContact CE2-CG 3.68Å; F19-Y24 HydrophobicContact CE2-CG 3.68Å; F19-Y24 AromaticContact CZ-CD1 3.97Å; F19-Y24 HydrophobicContact CZ-CD1 3.97Å; F19-Y24 AromaticContact CZ-CG 3.92Å; F19-Y24 HydrophobicContact CZ-CG 3.92Å; F19-V409 HydrophobicContact CE1-CG2 4.17Å; F19-V409 HydrophobicContact CE2-CG2 4.3Å; F19-V409 HydrophobicContact CZ-CG2 3.71Å; F19-L456 HydrophobicContact CD1-CD2 4Å; F19-L456 HydrophobicContact CE1-CD2 3.69Å; F19-Y458 HydrophobicContact CB-CD1 3.63Å; F19-Y458 HydrophobicContact CB-CD2 4Å; F19-Y458 HydrophobicContact CB-CE1 3.56Å; F19-Y458 HydrophobicContact CB-CE2 3.93Å; F19-Y458 HydrophobicContact CB-CG 3.86Å; F19-Y458 HydrophobicContact CD1-CD1 4.32Å; F19-Y458 HydrophobicContact CD1-CG 4.47Å; F19-Y458 HydrophobicContact CD2-CD1 4.08Å; F19-Y458 AromaticContact CD2-CD2 3.66Å; F19-Y458 HydrophobicContact CD2-CD2 3.66Å; F19-Y458 HydrophobicContact CD2-CE2 4.36Å; F19-Y458 AromaticContact CD2-CG 3.5Å; F19-Y458 HydrophobicContact CD2-CG 3.5Å; F19-Y458 HydrophobicContact CE2-CD2 4.48Å; F19-Y458 HydrophobicContact CE2-CG 4.14Å; F19-Y458 AromaticContact CG-CD1 3.77Å; F19-Y458 HydrophobicContact CG-CD1 3.77Å; F19-Y458 HydrophobicContact CG-CD2 4.09Å; F19-Y458 HydrophobicContact CG-CE1 4.23Å; F19-Y458 AromaticContact CG-CG 3.7Å; F19-Y458 HydrophobicContact CG-CG 3.7Å
20S83.1Confident63.8Low52 Ų5286.8 Ų86.836%0.36450%0.497SS..  trans-148.4120.9179.4176.10000109.3D22 D23 Y24S20-D22 VanDerWaalsContact C-N 3.33Å; S20-D22 PolarHBondContact O-N 2.83Å; S20-D23 PolarHBondContact O-N 3.02Å; S20-Y24 PolarHBondContact O-N 3.33Å
21W83.4Confident66.9Low9 Ų988.2 Ų88.23%0.03449%0.493CS..Hα-helixtrans-59.7-40.2-179-83.5116.3000113F19 D23 Y24 L25 K395 E397 V409 V446 S447 L456F19-W21 AromaticContact CE1-CD1 3.84Å; F19-W21 AromaticContact CE1-CD2 3.7Å; F19-W21 HydrophobicContact CE1-CD2 3.7Å; F19-W21 AromaticContact CE1-CE2 3.72Å; F19-W21 HydrophobicContact CE1-CE3 4.31Å; F19-W21 AromaticContact CE1-CG 3.82Å; F19-W21 HydrophobicContact CE1-CG 3.82Å; F19-W21 HydrophobicContact CE1-CZ2 4.36Å; F19-W21 AromaticContact CE1-NE1 3.77Å; F19-W21 AromaticContact CZ-CD2 3.92Å; F19-W21 HydrophobicContact CZ-CD2 3.92Å; F19-W21 HydrophobicContact CZ-CE3 4.06Å; F19-W21 HydrophobicContact CZ-CG 4.38Å; F19-W21 HydrophobicContact CZ-CZ3 4.44Å; W21-D23 PolarHBondContact O-N 3.2Å; W21-Y24 HydrophobicContact CE3-CD1 4.19Å; W21-Y24 HydrophobicContact CZ3-CD1 4.01Å; W21-Y24 PolarHBondContact O-N 3.43Å; W21-Y24 VanDerWaalsContact O-N 3.16Å; W21-L25 HydrophobicContact CE3-CG 4.37Å; W21-L25 WeakPolarHBondContact O-CB 3.27Å; W21-L25 VanDerWaalsContact O-CG 3.27Å; W21-L25 WeakPolarHBondContact O-CG 3.33Å; W21-L25 PolarHBondContact O-N 3.28Å; W21-K395 HydrophobicContact CH2-CB 4.3Å; W21-K395 HydrophobicContact CZ3-CB 3.83Å; W21-K395 HydrophobicContact CZ3-CG 4.25Å; W21-E397 HydrophobicContact CZ2-CG 3.57Å; W21-E397 PolarHBondContact NE1-OE1 2.88Å; W21-V409 HydrophobicContact CH2-CB 4.12Å; W21-V409 HydrophobicContact CH2-CG1 3.74Å; W21-V409 HydrophobicContact CH2-CG2 3.82Å; W21-V409 HydrophobicContact CZ2-CG2 3.83Å; W21-V409 HydrophobicContact CZ3-CG1 4.16Å; W21-V446 HydrophobicContact CB-CG1 3.75Å; W21-V446 HydrophobicContact CD2-CB 4.42Å; W21-V446 HydrophobicContact CD2-CG1 3.61Å; W21-V446 HydrophobicContact CD2-CG2 4.21Å; W21-V446 HydrophobicContact CE3-CG1 4.06Å; W21-V446 HydrophobicContact CE3-CG2 4.08Å; W21-V446 HydrophobicContact CG-CG1 3.5Å; W21-V446 VanDerWaalsContact CG-CG1 3.5Å; W21-V446 HydrophobicContact CH2-CG2 4.04Å; W21-V446 HydrophobicContact CZ2-CG2 4.2Å; W21-V446 HydrophobicContact CZ3-CG2 4Å; W21-S447 VanDerWaalsContact CD1-OG 3.26Å; W21-L456 HydrophobicContact CZ2-CD2 3.87Å
22D77.3Confident69.8Low130 Ų13082.6 Ų82.670%0.69547%0.467SS*.Hα-helixtrans-54.1-48.8173.8-93.8-10.4000112.8S20 E26S20-D22 VanDerWaalsContact C-N 3.33Å; S20-D22 PolarHBondContact O-N 2.83Å; D22-E26 WeakPolarHBondContact O-CB 3.42Å; D22-E26 PolarHBondContact O-N 3.29Å
23D81.6Confident72.7Confident55 Ų5578 Ų7829%0.29444%0.436SS..Hα-helixtrans-73.6-29.7178.5-99.883.4000111.9S20 W21 E27 K583 R592S20-D23 PolarHBondContact O-N 3.02Å; W21-D23 PolarHBondContact O-N 3.2Å; D23-E27 WeakPolarHBondContact O-CB 3.4Å; D23-E27 PolarHBondContact O-N 3.5Å; D23-K583 VanDerWaalsContact OD1-CE 3.25Å; D23-K583 WeakPolarHBondContact OD1-CE 3.27Å; D23-K583 IonicContact OD1-NZ 3.19Å; D23-K583 PolarHBondContact OD1-NZ 3.33Å; D23-K583 WeakPolarHBondContact OD2-CE 3.42Å; D23-K583 IonicContact OD2-NZ 3.68Å; D23-K583 PolarHBondContact OD2-NZ 3.03Å; D23-R592 IonicContact OD2-CZ 2.67Å; D23-R592 IonicContact OD2-NH1 3.91Å; D23-R592 PolarHBondContact OD2-NH1 2.91Å; D23-R592 IonicContact OD2-NH2 3.76Å; D23-R592 PolarHBondContact OD2-NH2 3.05Å
24Y85.1Confident74.9Confident25 Ų2576 Ų7610%0.09842%0.416CS..Hα-helixtrans-71.6-40.8177-164.6-120.1000112.5F19 S20 W21 E27 T28 V409 E425F19-Y24 HydrophobicContact CE2-CD1 4.07Å; F19-Y24 HydrophobicContact CE2-CD2 4.01Å; F19-Y24 AromaticContact CE2-CG 3.68Å; F19-Y24 HydrophobicContact CE2-CG 3.68Å; F19-Y24 AromaticContact CZ-CD1 3.97Å; F19-Y24 HydrophobicContact CZ-CD1 3.97Å; F19-Y24 AromaticContact CZ-CG 3.92Å; F19-Y24 HydrophobicContact CZ-CG 3.92Å; S20-Y24 PolarHBondContact O-N 3.33Å; W21-Y24 HydrophobicContact CE3-CD1 4.19Å; W21-Y24 HydrophobicContact CZ3-CD1 4.01Å; W21-Y24 PolarHBondContact O-N 3.43Å; W21-Y24 VanDerWaalsContact O-N 3.16Å; Y24-E27 PolarHBondContact O-N 3.2Å; Y24-T28 HydrophobicContact CD1-CG2 4.48Å; Y24-T28 HydrophobicContact CD2-CG2 4.29Å; Y24-T28 HydrophobicContact CE1-CG2 4.06Å; Y24-T28 HydrophobicContact CE2-CG2 3.81Å; Y24-T28 WeakPolarHBondContact O-CB 3.39Å; Y24-T28 WeakPolarHBondContact O-CG2 3.41Å; Y24-T28 PolarHBondContact O-N 3.06Å; Y24-T28 PolarHBondContact O-OG1 3.1Å; Y24-V409 HydrophobicContact CD1-CG1 4.31Å; Y24-V409 HydrophobicContact CE1-CG1 3.68Å; Y24-E425 PolarHBondContact OH-OE2 2.9Å
25L83.1Confident77Confident32 Ų3273.8 Ų73.817%0.16841%0.405CS..Hα-helixtrans-70.8-40.5173-63.2169.8000111W21 E27 E29 A30 A32 K395W21-L25 HydrophobicContact CE3-CG 4.37Å; W21-L25 WeakPolarHBondContact O-CB 3.27Å; W21-L25 VanDerWaalsContact O-CG 3.27Å; W21-L25 WeakPolarHBondContact O-CG 3.33Å; W21-L25 PolarHBondContact O-N 3.28Å; L25-E27 PolarHBondContact O-N 3.46Å; L25-E29 PolarHBondContact O-N 3.49Å; L25-E29 VanDerWaalsContact O-N 3.12Å; L25-A30 HydrophobicContact CD2-CB 4.15Å; L25-A32 HydrophobicContact CD1-CB 4.39Å; L25-K395 HydrophobicContact CD2-CB 4.06Å; L25-K395 HydrophobicContact CD2-CG 3.67Å
26E83.9Confident79Confident91 Ų9174.1 Ų74.143%0.42540%0.403SS..Hα-helixtrans-58.4-29.8169.8-98.4-158.4161.100112.2D22 K583 K585 R592D22-E26 WeakPolarHBondContact O-CB 3.42Å; D22-E26 PolarHBondContact O-N 3.29Å; E26-K583 IonicContact OE2-NZ 3.5Å; E26-K583 PolarHBondContact OE2-NZ 3.04Å; E26-K585 IonicContact OE1-NZ 2.7Å; E26-K585 PolarHBondContact OE1-NZ 3.47Å; E26-R592 IonicContact OE2-NH2 2.95Å; E26-R592 PolarHBondContact OE2-NH2 3.15Å
27E86.4Confident81Confident128 Ų12870.9 Ų70.960%0.59838%0.384SS*.Hα-helixtrans-92.8-31.7-178.1-157-163159.700114D23 Y24 L25 K461D23-E27 WeakPolarHBondContact O-CB 3.4Å; D23-E27 PolarHBondContact O-N 3.5Å; Y24-E27 PolarHBondContact O-N 3.2Å; L25-E27 PolarHBondContact O-N 3.46Å; E27-K461 IonicContact OE1-NZ 3.69Å; E27-K461 PolarHBondContact OE1-NZ 3.04Å; E27-K461 IonicContact OE2-NZ 2.76Å; E27-K461 PolarHBondContact OE2-NZ 3.16Å
28T86.5Confident82.8Confident49 Ų4966.9 Ų66.930%0.30135%0.351SS..Hα-helixtrans-89.1-8.7179.853.10000113.9Y24 A30Y24-T28 HydrophobicContact CD1-CG2 4.48Å; Y24-T28 HydrophobicContact CD2-CG2 4.29Å; Y24-T28 HydrophobicContact CE1-CG2 4.06Å; Y24-T28 HydrophobicContact CE2-CG2 3.81Å; Y24-T28 WeakPolarHBondContact O-CB 3.39Å; Y24-T28 WeakPolarHBondContact O-CG2 3.41Å; Y24-T28 PolarHBondContact O-N 3.06Å; Y24-T28 PolarHBondContact O-OG1 3.1Å; T28-A30 PolarHBondContact O-N 3.28Å; T28-A30 WeakPolarHBondContact OG1-CB 3.13Å
29E88.4Confident83.7Confident185 Ų18564.4 Ų64.486%0.86433%0.333SS*.  trans55.821.9-171.6-57.4-170.2169.400113.2L25L25-E29 PolarHBondContact O-N 3.49Å; L25-E29 VanDerWaalsContact O-N 3.12Å
30A89.1Confident84Confident19 Ų1962.2 Ų62.216%0.15732%0.323CS..  trans-92.6170-178.600000112.8L25 T28 K395L25-A30 HydrophobicContact CD2-CB 4.15Å; T28-A30 PolarHBondContact O-N 3.28Å; T28-A30 WeakPolarHBondContact OG1-CB 3.13Å; A30-K395 HydrophobicContact CB-CD 4.38Å; A30-K395 HydrophobicContact CB-CG 3.84Å
31V89.7Confident84Confident95 Ų9560.8 Ų60.858%0.57631%0.312SS*.EExtended strand (participates in β ladder)trans-125.2140.5-178.8-172.50000109.3M394 K395V31-M394 CarbonylContact O-C 3.54Å; V31-M394 WeakPolarHBondContact O-CA 3.45Å; V31-K395 PolarHBondContact O-N 3.22Å
32A89.4Confident83.6Confident30 Ų3063.3 Ų63.325%0.24833%0.326CS..EExtended strand (participates in β ladder)trans-67.7146.7172.200000111.5L25 K395 V446L25-A32 HydrophobicContact CD1-CB 4.39Å; A32-K395 WeakPolarHBondContact CA-O 3.45Å; A32-V446 HydrophobicContact CB-CB 3.88Å; A32-V446 HydrophobicContact CB-CG1 4.37Å; A32-V446 HydrophobicContact CB-CG2 3.63Å
33V88Confident83.5Confident3 Ų359.8 Ų59.82%0.01831%0.306CS..PPolyproline II helixtrans-63.2137.7164.2179.60000109.1A37 F38 F390 M394 K395 L396 V412V33-A37 HydrophobicContact CG1-CB 3.63Å; V33-F38 HydrophobicContact CB-CE2 3.73Å; V33-F38 HydrophobicContact CB-CZ 3.76Å; V33-F38 HydrophobicContact CG1-CD2 4.44Å; V33-F38 HydrophobicContact CG1-CE2 3.47Å; V33-F38 VanDerWaalsContact CG1-CE2 3.47Å; V33-F38 HydrophobicContact CG1-CZ 3.66Å; V33-F38 HydrophobicContact CG2-CZ 4.42Å; V33-F390 HydrophobicContact CG1-CD1 3.73Å; V33-F390 HydrophobicContact CG1-CE1 3.63Å; V33-F390 HydrophobicContact CG1-CG 4.48Å; V33-F390 HydrophobicContact CG1-CZ 4.29Å; V33-F390 HydrophobicContact CG2-CD1 3.96Å; V33-F390 HydrophobicContact CG2-CE1 4.25Å; V33-M394 HydrophobicContact CB-SD 4.5Å; V33-M394 HydrophobicContact CG2-CB 3.66Å; V33-M394 HydrophobicContact CG2-CG 4.41Å; V33-M394 HydrophobicContact CG2-SD 3.97Å; V33-K395 PolarHBondContact N-O 2.89Å; V33-L396 HydrophobicContact CG2-CB 4.14Å; V33-L396 HydrophobicContact CG2-CD2 4Å; V33-V412 HydrophobicContact CG2-CG2 4.41Å
34P78.4Confident82.9Confident43 Ų4357.5 Ų57.528%0.27930%0.295SS..PPolyproline II helixtrans-61.1141.8175.9-22.133.6000112.9H36 A37P34-H36 VanDerWaalsContact C-N 3.28Å; P34-H36 VanDerWaalsContact CB-CE1 3.47Å; P34-H36 WeakPolarHBondContact CB-CE1 3.43Å; P34-H36 PolarHBondContact O-N 3.09Å; P34-A37 VanDerWaalsContact O-CB 3.28Å; P34-A37 WeakPolarHBondContact O-CB 3.47Å; P34-A37 PolarHBondContact O-N 3.13Å
35H72.9Confident82Confident111 Ų11161.8 Ų61.851%0.51432%0.319SS..G310 helixtrans-54.4-40.9-179.6-74-102.6000113.3A37 F38 P445H35-A37 PolarHBondContact O-N 3.09Å; H35-F38 WeakPolarHBondContact O-CD2 3.4Å; H35-F38 PolarHBondContact O-N 2.93Å; H35-P445 WeakPolarHBondContact ND1-CB 3.33Å
36H75.9Confident81.2Confident136 Ų13665.6 Ų65.663%0.6334%0.336SS*.G310 helixtrans-66.4-0.9179.363.3-112.8000115.5P34 F38 D42P34-H36 VanDerWaalsContact C-N 3.28Å; P34-H36 VanDerWaalsContact CB-CE1 3.47Å; P34-H36 WeakPolarHBondContact CB-CE1 3.43Å; P34-H36 PolarHBondContact O-N 3.09Å; H36-F38 VanDerWaalsContact C-N 3.34Å; H36-D42 WeakPolarHBondContact CA-OD2 3.4Å
37A83.6Confident80.3Confident7 Ų761.6 Ų61.66%0.05832%0.318CS..G310 helixtrans-80.6-17.6169.200000112.2V33 P34 H35 K39 F390V33-A37 HydrophobicContact CG1-CB 3.63Å; P34-A37 VanDerWaalsContact O-CB 3.28Å; P34-A37 WeakPolarHBondContact O-CB 3.47Å; P34-A37 PolarHBondContact O-N 3.13Å; H35-A37 PolarHBondContact O-N 3.09Å; A37-K39 PolarHBondContact O-N 3.01Å; A37-F390 HydrophobicContact CB-CD2 4.35Å; A37-F390 HydrophobicContact CB-CE1 4.38Å; A37-F390 HydrophobicContact CB-CE2 3.75Å; A37-F390 HydrophobicContact CB-CZ 3.77Å
38F86.8Confident79.4Confident1 Ų155.9 Ų55.90%0.00429%0.294CS..  trans-103.269.7-173.8-57.7-85.5000110.7V33 H35 H36 H40 V41 D42 F390 L396 I443 F444 P445V33-F38 HydrophobicContact CB-CE2 3.73Å; V33-F38 HydrophobicContact CB-CZ 3.76Å; V33-F38 HydrophobicContact CG1-CD2 4.44Å; V33-F38 HydrophobicContact CG1-CE2 3.47Å; V33-F38 VanDerWaalsContact CG1-CE2 3.47Å; V33-F38 HydrophobicContact CG1-CZ 3.66Å; V33-F38 HydrophobicContact CG2-CZ 4.42Å; H35-F38 WeakPolarHBondContact O-CD2 3.4Å; H35-F38 PolarHBondContact O-N 2.93Å; H36-F38 VanDerWaalsContact C-N 3.34Å; F38-H40 PolarHBondContact O-N 2.95Å; F38-V41 HydrophobicContact CB-CB 4.25Å; F38-V41 HydrophobicContact CB-CG2 4Å; F38-V41 WeakPolarHBondContact O-CB 3.25Å; F38-V41 PolarHBondContact O-N 3.19Å; F38-D42 PolarHBondContact O-N 3.34Å; F38-F390 HydrophobicContact CE1-CE1 4.21Å; F38-F390 HydrophobicContact CE1-CZ 4.37Å; F38-F390 HydrophobicContact CZ-CE1 4.21Å; F38-L396 HydrophobicContact CE1-CB 4.38Å; F38-L396 HydrophobicContact CE1-CD2 4.43Å; F38-L396 HydrophobicContact CZ-CB 3.86Å; F38-L396 HydrophobicContact CZ-CD2 4.32Å; F38-I443 HydrophobicContact CD1-CG1 4.18Å; F38-I443 VanDerWaalsContact CD1-O 3.24Å; F38-I443 WeakPolarHBondContact CD1-O 3.42Å; F38-I443 HydrophobicContact CE1-CB 4.2Å; F38-I443 HydrophobicContact CE1-CD1 4.34Å; F38-I443 HydrophobicContact CE1-CG1 4.1Å; F38-F444 VanDerWaalsContact CE1-C 3.46Å; F38-F444 WeakPolarHBondContact CZ-O 3.4Å; F38-P445 HydrophobicContact CD2-CB 3.7Å; F38-P445 HydrophobicContact CD2-CG 4.15Å; F38-P445 VanDerWaalsContact CE2-CA 3.49Å; F38-P445 HydrophobicContact CE2-CB 3.72Å; F38-P445 HydrophobicContact CG-CB 4.46Å; F38-P445 HydrophobicContact CG-CG 4.49Å; F38-P445 HydrophobicContact CZ-CB 4.49Å
39K85.8Confident78.9Confident99 Ų9953.9 Ų53.943%0.4328%0.281SS..Hα-helixtrans-47.3-39.8-172.4-60.8176.5-170.9155.50114.2A37 V41 D42 Q43 D439A37-K39 PolarHBondContact O-N 3.01Å; K39-V41 VanDerWaalsContact C-N 3.33Å; K39-V41 PolarHBondContact O-N 2.93Å; K39-D42 PolarHBondContact O-N 3.31Å; K39-Q43 WeakPolarHBondContact O-CB 3.5Å; K39-Q43 PolarHBondContact O-N 2.86Å; K39-D439 VanDerWaalsContact CD-OD1 3.23Å; K39-D439 WeakPolarHBondContact CD-OD1 3.39Å; K39-D439 WeakPolarHBondContact CE-OD1 3.4Å; K39-D439 IonicContact NZ-OD1 2.7Å; K39-D439 PolarHBondContact NZ-OD1 2.69Å; K39-D439 IonicContact NZ-OD2 2.71Å; K39-D439 PolarHBondContact NZ-OD2 2.91Å
40H86.8Confident78.5Confident7 Ų748 Ų483%0.03226%0.258CS..Hα-helixtrans-69.1-27.9-178.763.7-97.9000113.5F38 G44 F212 L214 S440 L441 I443 F444F38-H40 PolarHBondContact O-N 2.95Å; H40-G44 PolarHBondContact O-N 3.11Å; H40-G44 VanDerWaalsContact O-N 3.11Å; H40-F212 HydrophobicContact CB-CD1 4.28Å; H40-F212 HydrophobicContact CB-CE1 3.89Å; H40-F212 AromaticContact CD2-CE1 3.87Å; H40-F212 AromaticContact CD2-CZ 3.77Å; H40-L214 HydrophobicContact CB-CD1 3.82Å; H40-S440 PolarHBondContact CE1-O 3.37Å; H40-S440 PolarHBondContact ND1-O 3.33Å; H40-S440 VanDerWaalsContact ND1-O 3.16Å; H40-L441 HydrophobicContact CB-CD2 3.43Å; H40-L441 VanDerWaalsContact CB-CD2 3.43Å; H40-I443 PolarHBondContact CE1-O 3.07Å; H40-I443 PolarHBondContact NE2-O 3.2Å; H40-I443 VanDerWaalsContact NE2-O 3.17Å; H40-F444 AromaticContact NE2-CD1 3.65Å; H40-F444 AromaticContact NE2-CE1 3.55Å
41V82.6Confident78.1Confident21 Ų2151 Ų5113%0.12728%0.275CS..Hα-helixtrans-75.1-42.7172.1-1760000110.1F38 K39 Q43 G44 L45 F444 P445F38-V41 HydrophobicContact CB-CB 4.25Å; F38-V41 HydrophobicContact CB-CG2 4Å; F38-V41 WeakPolarHBondContact O-CB 3.25Å; F38-V41 PolarHBondContact O-N 3.19Å; K39-V41 VanDerWaalsContact C-N 3.33Å; K39-V41 PolarHBondContact O-N 2.93Å; V41-Q43 VanDerWaalsContact C-N 3.28Å; V41-Q43 PolarHBondContact O-N 3.08Å; V41-G44 PolarHBondContact O-N 3.43Å; V41-L45 WeakPolarHBondContact O-CG 3.34Å; V41-L45 PolarHBondContact O-N 3.13Å; V41-F444 HydrophobicContact CG2-CD1 3.99Å; V41-P445 HydrophobicContact CG1-CG 4.49Å
42D74.2Confident77.9Confident63 Ų6348.7 Ų48.734%0.33727%0.271SS..Hα-helixtrans-66.4-28.9175.9-77.1-4.7000112.6H36 F38 K39 Q46H36-D42 WeakPolarHBondContact CA-OD2 3.4Å; F38-D42 PolarHBondContact O-N 3.34Å; K39-D42 PolarHBondContact O-N 3.31Å; D42-Q46 WeakPolarHBondContact O-CG 3.43Å; D42-Q46 PolarHBondContact O-NE2 3.29Å
43Q75.8Confident78Confident55 Ų5548.9 Ų48.926%0.25727%0.267SS..Hα-helixtrans-74.6-43.7173.8-172170.6-1.900111.7K39 V41 L45 Q46 L214 D269K39-Q43 WeakPolarHBondContact O-CB 3.5Å; K39-Q43 PolarHBondContact O-N 2.86Å; V41-Q43 VanDerWaalsContact C-N 3.28Å; V41-Q43 PolarHBondContact O-N 3.08Å; Q43-L45 PolarHBondContact O-N 3.34Å; Q43-Q46 WeakPolarHBondContact O-CB 3.33Å; Q43-Q46 PolarHBondContact O-N 2.91Å; Q43-L214 HydrophobicContact CB-CD1 4.03Å; Q43-L214 HydrophobicContact CG-CD1 4.04Å; Q43-L214 HydrophobicContact CG-CD2 4.49Å; Q43-D269 PolarHBondContact NE2-OD1 3.01Å
44G68.4Low78.2Confident8 Ų849.9 Ų49.98%0.08227%0.271CS..THydrogen-bonded Turntrans-62.5-8.6175.700000115.6H40 V41 Y213H40-G44 PolarHBondContact O-N 3.11Å; H40-G44 VanDerWaalsContact O-N 3.11Å; V41-G44 PolarHBondContact O-N 3.43Å; G44-Y213 WeakPolarHBondContact CA-OH 3.37Å; G44-Y213 PolarHBondContact N-OH 3.4Å
45L65.4Low79Confident114 Ų11447.8 Ų47.860%0.59726%0.258SS*.THydrogen-bonded Turntrans-98.34.4174.6-66.1170.9000113.6V41 Q43V41-L45 WeakPolarHBondContact O-CG 3.34Å; V41-L45 PolarHBondContact O-N 3.13Å; Q43-L45 PolarHBondContact O-N 3.34Å
46Q66.4Low80Confident113 Ų11342.5 Ų42.553%0.52823%0.234SC..  trans-94.8121.1-177.7-61-179.736.700110.8D42 Q43 G48 P158D42-Q46 WeakPolarHBondContact O-CG 3.43Å; D42-Q46 PolarHBondContact O-NE2 3.29Å; Q43-Q46 WeakPolarHBondContact O-CB 3.33Å; Q43-Q46 PolarHBondContact O-N 2.91Å; Q46-G48 PolarHBondContact O-N 3.17Å; Q46-P158 WeakPolarHBondContact O-CD 3.33Å
47T65.2Low80.8Confident7 Ų736.4 Ų36.44%0.04321%0.206CC..  trans-76.128-177.747.90000114.1L49 G77 D157T47-L49 PolarHBondContact O-N 2.87Å; T47-G77 WeakPolarHBondContact CG2-O 3.48Å; T47-G77 PolarHBondContact OG1-O 3.45Å; T47-G77 VanDerWaalsContact OG1-O 3.1Å; T47-D157 HydrophobicContact CG2-CB 4.4Å
48G68.8Low81Confident8 Ų836.8 Ų36.88%0.08221%0.208CC..SBendtrans64.8-19-178.400000116.6Q46 K268Q46-G48 PolarHBondContact O-N 3.17Å; G48-K268 VanDerWaalsContact CA-NZ 3.27Å; G48-K268 PolarHBondContact O-NZ 2.92Å
49L76.1Confident81Confident6 Ų636.8 Ų36.83%0.03121%0.208CC..  trans-86.3132.3-178.8-65.1175.5000111.7T47 M53 I72 T75 L80 I99 A144 L148 L149T47-L49 PolarHBondContact O-N 2.87Å; L49-M53 HydrophobicContact CB-SD 4.5Å; L49-M53 HydrophobicContact CD2-SD 3.86Å; L49-I72 HydrophobicContact CB-CD1 4.06Å; L49-I72 HydrophobicContact CD1-CD1 4.4Å; L49-I72 HydrophobicContact CD2-CD1 4.27Å; L49-I72 HydrophobicContact CG-CD1 4.49Å; L49-T75 HydrophobicContact CB-CG2 4.3Å; L49-T75 WeakPolarHBondContact O-CG2 3.43Å; L49-L80 HydrophobicContact CB-CD2 4.32Å; L49-L80 HydrophobicContact CD1-CD1 4.03Å; L49-L80 HydrophobicContact CD1-CD2 3.9Å; L49-I99 HydrophobicContact CD1-CD1 3.76Å; L49-I99 HydrophobicContact CD1-CG1 4.41Å; L49-A144 HydrophobicContact CD2-CB 3.79Å; L49-L148 HydrophobicContact CD2-CB 4.11Å; L49-L148 HydrophobicContact CD2-CD1 3.85Å; L49-L148 HydrophobicContact CG-CB 4.24Å; L49-L148 HydrophobicContact CG-CD1 3.99Å; L49-L149 HydrophobicContact CD1-CD2 4.14Å
50T79.1Confident80.5Confident63 Ų6340 Ų4039%0.38722%0.218SC..  trans-121156.5-17561.80000113G52 M53T50-G52 PolarHBondContact O-N 3.02Å; T50-M53 PolarHBondContact N-SD 3.3Å; T50-M53 PolarHBondContact O-N 2.7Å
51P81.6Confident79.7Confident80 Ų8044.5 Ų44.552%0.51925%0.25SC..THydrogen-bonded Turntrans-53.7136.7168-24.133.7000112I72P51-I72 CarbonylContact C-O 3.53Å; P51-I72 WeakPolarHBondContact CA-O 3.38Å
52G84.8Confident79.2Confident48 Ų4845.1 Ų45.150%0.49525%0.251SS..THydrogen-bonded Turntrans96.3-19.6-179.200000114.9T50 I72T50-G52 PolarHBondContact O-N 3.02Å; G52-I72 PolarHBondContact N-O 2.88Å
53M90.8Very high78.9Confident33 Ų3345.7 Ų45.716%0.16327%0.265CS..  trans-62.4150.9170.9-70.9-178.1172.100111.3L49 T50 A71 I72 C142 A144L49-M53 HydrophobicContact CB-SD 4.5Å; L49-M53 HydrophobicContact CD2-SD 3.86Å; T50-M53 PolarHBondContact N-SD 3.3Å; T50-M53 PolarHBondContact O-N 2.7Å; M53-A71 CarbonylContact O-C 3.56Å; M53-A71 WeakPolarHBondContact O-CA 3.39Å; M53-I72 HydrophobicContact CB-CD1 3.98Å; M53-I72 HydrophobicContact CB-CG1 4.33Å; M53-I72 PolarHBondContact O-N 3.07Å; M53-C142 CarbonylContact C-O 3.59Å; M53-C142 VanDerWaalsContact CA-O 3.28Å; M53-C142 WeakPolarHBondContact CA-O 3.3Å; M53-A144 HydrophobicContact CB-CB 4.37Å; M53-A144 HydrophobicContact SD-CB 4.37Å
54K93.8Very high79Confident24 Ų2450.2 Ų50.210%0.10429%0.291CS..EExtended strand (participates in β ladder)trans-121148.3178.2-63.4-169.9-172.1-173.70112.1V69 A70 A71 E85 L107 E140 C142 S143 A144K54-V69 HydrophobicContact CB-CG1 4.19Å; K54-V69 HydrophobicContact CD-CG1 4.19Å; K54-A70 CarbonylContact C-O 3.57Å; K54-A70 VanDerWaalsContact CA-O 3.3Å; K54-A70 WeakPolarHBondContact CA-O 3.38Å; K54-A71 HydrophobicContact CG-CB 3.99Å; K54-E85 WeakPolarHBondContact CE-OE2 3.48Å; K54-E85 IonicContact NZ-OE1 2.95Å; K54-E85 IonicContact NZ-OE2 2.96Å; K54-E85 PolarHBondContact NZ-OE2 2.78Å; K54-L107 HydrophobicContact CB-CD1 4.09Å; K54-L107 HydrophobicContact CB-CD2 4.21Å; K54-L107 HydrophobicContact CB-CG 4.47Å; K54-E140 WeakPolarHBondContact CE-OE2 3.37Å; K54-E140 IonicContact NZ-OE2 3.19Å; K54-E140 PolarHBondContact NZ-OE2 3.2Å; K54-C142 VanDerWaalsContact CD-SG 3.59Å; K54-C142 PolarHBondContact N-O 3.25Å; K54-S143 CarbonylContact O-C 3.51Å; K54-S143 VanDerWaalsContact O-CA 3.31Å; K54-S143 WeakPolarHBondContact O-CA 3.43Å; K54-A144 PolarHBondContact O-N 2.93Å
55L94.1Very high79.6Confident0 Ų052 Ų520%030%0.304CS..EExtended strand (participates in β ladder)trans-149.7165.4-179.248.567.8000111.2V57 V69 A70 I72 L80 L82 L104 H105 A144 L149L55-V57 HydrophobicContact CD1-CG2 3.32Å; L55-V69 CarbonylContact O-C 3.52Å; L55-V69 WeakPolarHBondContact O-CA 3.46Å; L55-A70 HydrophobicContact CD1-CB 4.47Å; L55-A70 PolarHBondContact N-O 3.5Å; L55-A70 PolarHBondContact O-N 2.8Å; L55-I72 HydrophobicContact CD2-CD1 4.23Å; L55-I72 HydrophobicContact CD2-CG1 4.37Å; L55-L80 HydrophobicContact CD2-CD1 4.01Å; L55-L82 HydrophobicContact CD1-CD1 3.87Å; L55-L82 HydrophobicContact CD1-CD2 4.25Å; L55-L104 HydrophobicContact CD1-CD2 4.12Å; L55-L104 HydrophobicContact CD2-CD1 4.38Å; L55-H105 WeakPolarHBondContact CB-O 3.28Å; L55-A144 HydrophobicContact CB-CB 4.15Å; L55-A144 HydrophobicContact CD2-CB 4.31Å; L55-L149 HydrophobicContact CB-CD1 3.82Å; L55-L149 HydrophobicContact CD2-CD1 3.83Å; L55-L149 HydrophobicContact CD2-CD2 3.9Å; L55-L149 HydrophobicContact CG-CD1 4.49Å
56E94.4Very high80.8Confident0 Ų046.7 Ų46.70%028%0.277CS..EExtended strand (participates in β ladder)trans-92.4131174.4-62.7-175.8174.900110.2L104 H105 L107 G108 S110 M117E56-L104 WeakPolarHBondContact O-CA 3.24Å; E56-H105 HydrophobicContact CB-CB 4.42Å; E56-H105 PolarHBondContact N-O 2.92Å; E56-H105 PolarHBondContact O-N 3.2Å; E56-L107 HydrophobicContact CG-CD2 4.23Å; E56-G108 WeakPolarHBondContact OE1-CA 3.26Å; E56-G108 PolarHBondContact OE1-N 3.45Å; E56-S110 WeakPolarHBondContact OE2-CA 3.31Å; E56-S110 WeakPolarHBondContact OE2-CB 3.47Å; E56-S110 PolarHBondContact OE2-N 3.11Å; E56-S110 PolarHBondContact OE2-OG 3.18Å; E56-M117 HydrophobicContact CG-CE 3.95Å
57V92.1Very high82.1Confident8 Ų841.9 Ų41.95%0.04825%0.254CS..EExtended strand (participates in β ladder)trans-122.2135.1-177.3-171.50000110L55 V59 Y67 W68 A70 L82 Y84 F95 L104L55-V57 HydrophobicContact CD1-CG2 3.32Å; V57-V59 PolarHBondContact O-N 3.19Å; V57-Y67 CarbonylContact O-C 3.06Å; V57-Y67 VanDerWaalsContact O-CA 3.27Å; V57-Y67 WeakPolarHBondContact O-CA 3.44Å; V57-W68 PolarHBondContact N-O 3.18Å; V57-W68 PolarHBondContact O-N 2.67Å; V57-A70 HydrophobicContact CG2-CB 3.7Å; V57-L82 HydrophobicContact CG2-CD1 3.61Å; V57-Y84 HydrophobicContact CB-CE1 4.16Å; V57-F95 HydrophobicContact CG1-CE2 4.12Å; V57-F95 HydrophobicContact CG1-CZ 4.1Å; V57-F95 HydrophobicContact CG2-CZ 4.32Å; V57-L104 HydrophobicContact CB-CD2 4.37Å; V57-L104 HydrophobicContact CG1-CD2 4.04Å; V57-L104 HydrophobicContact CG2-CD2 3.9Å
58C89Confident83.5Confident15 Ų1541.5 Ų41.510%0.10125%0.252CS..EExtended strand (participates in β ladder)trans-64.6116.2167.9-179.90000111.6R60 Y67 D103C58-R60 VanDerWaalsContact C-N 3.27Å; C58-R60 PolarHBondContact O-N 3.3Å; C58-Y67 HydrophobicContact CB-CD1 4.07Å; C58-Y67 HydrophobicContact CB-CE1 3.75Å; C58-D103 HydrophobicContact CB-CB 3.8Å; C58-D103 PolarHBondContact N-O 3.24Å; C58-D103 VanDerWaalsContact N-O 3.12Å
59V86.7Confident84.7Confident0 Ų041.2 Ų41.20%025%0.248CC..  trans-77.675.7177.5-171.90000109.4V57 S61 E62 P66 W68 Y84 P120V57-V59 PolarHBondContact O-N 3.19Å; V59-S61 WeakPolarHBondContact CG1-OG 3.35Å; V59-S61 PolarHBondContact O-N 2.85Å; V59-E62 HydrophobicContact CG1-CB 4.5Å; V59-E62 HydrophobicContact CG1-CG 4.22Å; V59-E62 PolarHBondContact O-N 2.99Å; V59-P66 HydrophobicContact CB-CG 4.37Å; V59-P66 WeakPolarHBondContact CB-O 3.42Å; V59-P66 PolarHBondContact N-O 3.38Å; V59-W68 HydrophobicContact CG2-CB 3.64Å; V59-Y84 HydrophobicContact CG2-CE1 3.93Å; V59-P120 HydrophobicContact CG1-CB 4.32Å; V59-P120 HydrophobicContact CG1-CG 4.01Å; V59-P120 HydrophobicContact CG2-CG 4.34Å
60R74.6Confident85.5Confident168 Ų16840.9 Ų40.963%0.63425%0.247SC*.THydrogen-bonded Turntrans-58.3-10.9-176.5-66.9179.5178.4173.4-0.2115C58 T101C58-R60 VanDerWaalsContact C-N 3.27Å; C58-R60 PolarHBondContact O-N 3.3Å; R60-T101 PolarHBondContact NH2-O 2.99Å
61S69.4Low86.1Confident101 Ų10138.7 Ų38.771%0.70624%0.235SC*.THydrogen-bonded Turntrans-82.4-16.4175.653.20000114.3V59V59-S61 WeakPolarHBondContact CG1-OG 3.35Å; V59-S61 PolarHBondContact O-N 2.85Å
62E73.2Confident86.4Confident33 Ų3335 Ų3515%0.15421%0.21CC..SBendtrans-101.4150.4179.7-74-135.2171.300113.7V59 A65 P66 R118 R124V59-E62 HydrophobicContact CG1-CB 4.5Å; V59-E62 HydrophobicContact CG1-CG 4.22Å; V59-E62 PolarHBondContact O-N 2.99Å; E62-A65 PolarHBondContact O-N 3.12Å; E62-P66 HydrophobicContact CB-CG 3.89Å; E62-R118 WeakPolarHBondContact OE2-CD 3.35Å; E62-R118 IonicContact OE2-CZ 2.69Å; E62-R118 IonicContact OE2-NE 3.62Å; E62-R118 IonicContact OE2-NH1 2.72Å; E62-R118 PolarHBondContact OE2-NH1 3.29Å; E62-R124 IonicContact OE1-CZ 3.21Å; E62-R124 IonicContact OE1-NH1 2.7Å; E62-R124 PolarHBondContact OE1-NH1 3.47Å; E62-R124 IonicContact OE1-NH2 3.84Å; E62-R124 PolarHBondContact OE1-NH2 3.14Å; E62-R124 IonicContact OE2-NH1 2.88Å
63A67.6Low86.1Confident76 Ų7635.4 Ų35.463%0.62820%0.201SC*.THydrogen-bonded Turntrans-61.114616800000111A65 R118A63-A65 PolarHBondContact O-N 3.35Å; A63-R118 PolarHBondContact O-NH1 2.87Å
64D76.8Confident85Confident150 Ų15035.2 Ų35.280%0.80220%0.201SC*.THydrogen-bonded Turntrans65.85-171.6-47.7-40.2000115.6
65A82.7Confident83.7Confident44 Ų4436 Ų3636%0.36421%0.208SC..  trans48.954.9174.400000114.3E62 A63E62-A65 PolarHBondContact O-N 3.12Å; A63-A65 PolarHBondContact O-N 3.35Å
66P90.6Very high81.8Confident3 Ų337.6 Ų37.62%0.01922%0.219CC..  trans-65.5167.6179.831.7-36.7000111.7V59 E62 T116 R118V59-P66 HydrophobicContact CB-CG 4.37Å; V59-P66 WeakPolarHBondContact CB-O 3.42Å; V59-P66 PolarHBondContact N-O 3.38Å; E62-P66 HydrophobicContact CB-CG 3.89Å; P66-T116 WeakPolarHBondContact CA-O 3.28Å; P66-T116 VanDerWaalsContact CB-O 3.26Å; P66-T116 WeakPolarHBondContact CB-O 3.15Å; P66-R118 HydrophobicContact CB-CB 3.83Å; P66-R118 HydrophobicContact CG-CB 4.1Å
67Y93Very high80.2Confident12 Ų1239.3 Ų39.35%0.04724%0.237CC..EExtended strand (participates in β ladder)trans-105.4153.9176.6-63-101.4000111V57 C58 D103 H105 W109 S110 K115 T116 M117 R118V57-Y67 CarbonylContact O-C 3.06Å; V57-Y67 VanDerWaalsContact O-CA 3.27Å; V57-Y67 WeakPolarHBondContact O-CA 3.44Å; C58-Y67 HydrophobicContact CB-CD1 4.07Å; C58-Y67 HydrophobicContact CB-CE1 3.75Å; Y67-D103 VanDerWaalsContact CE1-OD2 3.26Å; Y67-D103 WeakPolarHBondContact CE1-OD2 3.5Å; Y67-D103 VanDerWaalsContact CZ-OD2 3.28Å; Y67-D103 PolarHBondContact OH-OD2 2.93Å; Y67-H105 AromaticContact CE1-CD2 3.81Å; Y67-H105 AromaticContact CE1-NE2 3.97Å; Y67-W109 AromaticContact CE1-CZ3 3.99Å; Y67-W109 HydrophobicContact CE1-CZ3 3.99Å; Y67-W109 HydrophobicContact CE2-CZ3 4.19Å; Y67-W109 AromaticContact CZ-CZ3 3.79Å; Y67-S110 WeakPolarHBondContact CB-OG 3.45Å; Y67-K115 HydrophobicContact CD2-CB 3.79Å; Y67-K115 HydrophobicContact CD2-CG 4.14Å; Y67-K115 HydrophobicContact CE2-CB 3.93Å; Y67-K115 HydrophobicContact CE2-CD 4.06Å; Y67-K115 HydrophobicContact CE2-CG 3.78Å; Y67-K115 PolarHBondContact OH-NZ 2.86Å; Y67-T116 PolarHBondContact N-O 2.86Å; Y67-M117 CarbonylContact O-C 3.6Å; Y67-M117 VanDerWaalsContact O-CA 3.28Å; Y67-M117 WeakPolarHBondContact O-CA 3.26Å; Y67-R118 PolarHBondContact O-N 3.02Å
68W94.1Very high78.9Confident0 Ų042.7 Ų42.70%025%0.252CS..EExtended strand (participates in β ladder)trans-145.2156.3171.3-165.8-116.7000111.2V57 V59 Y84 E85 P119 W130 L134V57-W68 PolarHBondContact N-O 3.18Å; V57-W68 PolarHBondContact O-N 2.67Å; V59-W68 HydrophobicContact CG2-CB 3.64Å; W68-Y84 HydrophobicContact CB-CD1 4.09Å; W68-Y84 HydrophobicContact CB-CE1 4.21Å; W68-Y84 AromaticContact CD1-CD1 3.71Å; W68-Y84 HydrophobicContact CG-CD1 4.32Å; W68-E85 PolarHBondContact NE1-O 3.23Å; W68-P119 HydrophobicContact CD2-CB 4.02Å; W68-P119 HydrophobicContact CE3-CB 4.25Å; W68-P119 VanDerWaalsContact CE3-N 3.32Å; W68-P119 HydrophobicContact CH2-CB 4.07Å; W68-P119 HydrophobicContact CH2-CG 4.3Å; W68-P119 HydrophobicContact CZ2-CB 3.83Å; W68-P119 HydrophobicContact CZ3-CB 4.26Å; W68-P119 HydrophobicContact CZ3-CG 4.39Å; W68-W130 HydrophobicContact CH2-CB 4.21Å; W68-W130 HydrophobicContact CH2-CD2 4.46Å; W68-W130 AromaticContact CH2-CE3 3.7Å; W68-W130 HydrophobicContact CH2-CE3 3.7Å; W68-W130 HydrophobicContact CH2-CZ3 4.49Å; W68-W130 AromaticContact CZ3-CE3 3.7Å; W68-W130 HydrophobicContact CZ3-CE3 3.7Å; W68-W130 HydrophobicContact CZ3-CZ3 4.06Å; W68-L134 HydrophobicContact CE3-CD1 4.3Å; W68-L134 HydrophobicContact CH2-CB 3.79Å; W68-L134 HydrophobicContact CH2-CD1 4.25Å; W68-L134 HydrophobicContact CH2-CG 4.44Å; W68-L134 HydrophobicContact CZ3-CB 4.03Å; W68-L134 HydrophobicContact CZ3-CD1 3.89Å; W68-L134 HydrophobicContact CZ3-CD2 4.04Å; W68-L134 HydrophobicContact CZ3-CG 4.2Å
69V94.6Very high77.7Confident1 Ų144 Ų441%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-73.2136.6176.8-179.50000109.8K54 L55 E85 L107 M117 L134 A137 L138K54-V69 HydrophobicContact CB-CG1 4.19Å; K54-V69 HydrophobicContact CD-CG1 4.19Å; L55-V69 CarbonylContact O-C 3.52Å; L55-V69 WeakPolarHBondContact O-CA 3.46Å; V69-E85 HydrophobicContact CB-CB 4.08Å; V69-E85 HydrophobicContact CG1-CB 4.2Å; V69-E85 PolarHBondContact O-N 3.41Å; V69-L107 HydrophobicContact CG1-CD2 3.89Å; V69-L107 HydrophobicContact CG2-CD2 4.05Å; V69-M117 HydrophobicContact CG2-CE 3.89Å; V69-L134 HydrophobicContact CG2-CD1 3.76Å; V69-A137 HydrophobicContact CG1-CB 4.26Å; V69-L138 HydrophobicContact CG2-CD2 4.17Å
70A92.8Very high77.1Confident0 Ų044 Ų440%026%0.258CS..EExtended strand (participates in β ladder)trans-135.1147.2169.900000111K54 L55 V57 L82 R83 Y84 F95K54-A70 CarbonylContact C-O 3.57Å; K54-A70 VanDerWaalsContact CA-O 3.3Å; K54-A70 WeakPolarHBondContact CA-O 3.38Å; L55-A70 HydrophobicContact CD1-CB 4.47Å; L55-A70 PolarHBondContact N-O 3.5Å; L55-A70 PolarHBondContact O-N 2.8Å; V57-A70 HydrophobicContact CG2-CB 3.7Å; A70-L82 HydrophobicContact CB-CB 4.14Å; A70-L82 HydrophobicContact CB-CD1 4.41Å; A70-R83 CarbonylContact C-O 3.56Å; A70-R83 WeakPolarHBondContact CA-O 3.43Å; A70-R83 WeakPolarHBondContact CB-O 3.1Å; A70-Y84 HydrophobicContact CB-CD1 4.06Å; A70-F95 HydrophobicContact CB-CZ 4.4Å
71A91.1Very high77.2Confident17 Ų1736.8 Ų36.814%0.1423%0.232CC..EExtended strand (participates in β ladder)trans-97.2139.5174.400000111M53 K54 I73 L82 R83M53-A71 CarbonylContact O-C 3.56Å; M53-A71 WeakPolarHBondContact O-CA 3.39Å; K54-A71 HydrophobicContact CG-CB 3.99Å; A71-I73 PolarHBondContact O-N 2.87Å; A71-L82 CarbonylContact O-C 3.53Å; A71-L82 WeakPolarHBondContact O-CA 3.31Å; A71-R83 PolarHBondContact N-O 3.46Å; A71-R83 PolarHBondContact O-N 3.29Å
72I87.6Confident78Confident1 Ų132 Ų321%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-72.1120.7171-55.2-175.5000108.4L49 P51 G52 M53 L55 T75 L80 L81 L82L49-I72 HydrophobicContact CB-CD1 4.06Å; L49-I72 HydrophobicContact CD1-CD1 4.4Å; L49-I72 HydrophobicContact CD2-CD1 4.27Å; L49-I72 HydrophobicContact CG-CD1 4.49Å; P51-I72 CarbonylContact C-O 3.53Å; P51-I72 WeakPolarHBondContact CA-O 3.38Å; G52-I72 PolarHBondContact N-O 2.88Å; M53-I72 HydrophobicContact CB-CD1 3.98Å; M53-I72 HydrophobicContact CB-CG1 4.33Å; M53-I72 PolarHBondContact O-N 3.07Å; L55-I72 HydrophobicContact CD2-CD1 4.23Å; L55-I72 HydrophobicContact CD2-CG1 4.37Å; I72-T75 HydrophobicContact CG2-CG2 3.67Å; I72-L80 HydrophobicContact CD1-CD1 4.02Å; I72-L80 HydrophobicContact CD1-CD2 4.19Å; I72-L80 HydrophobicContact CG1-CD1 4.39Å; I72-L80 HydrophobicContact CG2-CD2 4.33Å; I72-L81 CarbonylContact C-O 2.97Å; I72-L81 WeakPolarHBondContact CA-O 3.14Å; I72-L82 HydrophobicContact CB-CD2 4.32Å; I72-L82 HydrophobicContact CG1-CD2 3.75Å
73I79.3Confident78.6Confident58 Ų5831.6 Ų31.630%0.29720%0.196SC..EExtended strand (participates in β ladder)trans-93.8-37.5176.9-53.9-58.2000110.8A71 L81 R83A71-I73 PolarHBondContact O-N 2.87Å; I73-L81 HydrophobicContact CB-CB 4.28Å; I73-L81 HydrophobicContact CB-CD2 3.91Å; I73-L81 HydrophobicContact CB-CG 3.84Å; I73-L81 HydrophobicContact CG1-CG 4.28Å; I73-L81 HydrophobicContact CG2-CD2 3.88Å; I73-L81 HydrophobicContact CG2-CG 4.37Å; I73-L81 PolarHBondContact N-O 3.31Å; I73-R83 HydrophobicContact CD1-CB 3.87Å; I73-R83 HydrophobicContact CG1-CB 3.9Å
74T67.4Low79.7Confident28 Ų2829.3 Ų29.317%0.17217%0.171CC..EExtended strand (participates in β ladder)trans-160.1164.6172.5-164.20000111.1L81 W96T74-L81 HydrophobicContact CG2-CB 3.75Å; T74-L81 HydrophobicContact CG2-CD2 4.16Å; T74-L81 PolarHBondContact O-N 3.28Å; T74-W96 HydrophobicContact CG2-CH2 3.61Å; T74-W96 HydrophobicContact CG2-CZ2 3.92Å; T74-W96 HydrophobicContact CG2-CZ3 4.33Å
75T66.1Low80.3Confident40 Ų4023.9 Ų23.925%0.24514%0.141CC..EExtended strand (participates in β ladder)trans-126.5150179.763.40000110.5L49 I72 L80L49-T75 HydrophobicContact CB-CG2 4.3Å; L49-T75 WeakPolarHBondContact O-CG2 3.43Å; I72-T75 HydrophobicContact CG2-CG2 3.67Å; T75-L80 HydrophobicContact CG2-CD2 3.46Å; T75-L80 VanDerWaalsContact CG2-CD2 3.46Å
76C55Low80.4Confident35 Ų3521.9 Ų21.924%0.23612%0.124CC..EExtended strand (participates in β ladder)trans-147.475.1179.3-176.20000109.6L79 W96 L830C76-L79 PolarHBondContact N-O 2.87Å; C76-W96 HydrophobicContact CB-CH2 4.34Å; C76-W96 HydrophobicContact CB-CZ3 3.94Å; C76-L830 PolarHBondContact SG-O 2.87Å; C76-L830 VanDerWaalsContact SG-O 3.39Å
77G61.6Low79.9Confident36 Ų3623.6 Ų23.637%0.37113%0.131SC..THydrogen-bonded Turntrans66.1-128.9-170.100000111T47 L79T47-G77 WeakPolarHBondContact CG2-O 3.48Å; T47-G77 PolarHBondContact OG1-O 3.45Å; T47-G77 VanDerWaalsContact OG1-O 3.1Å; G77-L79 PolarHBondContact O-N 2.94Å
78Q64.2Low79.2Confident79 Ų7929.7 Ų29.737%0.36916%0.16SC..THydrogen-bonded Turntrans-68.15.5179.9-70.2176.9-10.800114.8I99Q78-I99 WeakPolarHBondContact O-CB 3.47Å; Q78-I99 WeakPolarHBondContact O-CD1 3.33Å; Q78-I99 WeakPolarHBondContact O-CG1 3.47Å; Q78-I99 PolarHBondContact O-N 3.16Å
79L62.4Low78.1Confident42 Ų4236.8 Ų36.822%0.2220%0.198CC..EExtended strand (participates in β ladder)trans-129.3136-170-64116.5000112.6C76 G77 C97 D98 L830C76-L79 PolarHBondContact N-O 2.87Å; G77-L79 PolarHBondContact O-N 2.94Å; L79-C97 WeakPolarHBondContact CA-O 3.49Å; L79-D98 HydrophobicContact CD2-CB 3.58Å; L79-D98 HydrophobicContact CG-CB 4.3Å; L79-L830 HydrophobicContact CB-CD1 3.96Å; L79-L830 HydrophobicContact CB-CD2 3.75Å; L79-L830 HydrophobicContact CB-CG 4.4Å; L79-L830 HydrophobicContact CD1-CD2 3.63Å; L79-L830 HydrophobicContact CD2-CD1 3.75Å; L79-L830 HydrophobicContact CD2-CD2 3.54Å; L79-L830 HydrophobicContact CD2-CG 4.29Å; L79-L830 HydrophobicContact CG-CD1 4.41Å; L79-L830 HydrophobicContact CG-CD2 3.79Å
80L75.2Confident77Confident0 Ų039.1 Ų39.10%021%0.21CC..EExtended strand (participates in β ladder)trans-114.4141.2-173.7-52.7176.7000110.3L49 L55 I72 T75 L82 W96 C97 I99 L104L49-L80 HydrophobicContact CB-CD2 4.32Å; L49-L80 HydrophobicContact CD1-CD1 4.03Å; L49-L80 HydrophobicContact CD1-CD2 3.9Å; L55-L80 HydrophobicContact CD2-CD1 4.01Å; I72-L80 HydrophobicContact CD1-CD1 4.02Å; I72-L80 HydrophobicContact CD1-CD2 4.19Å; I72-L80 HydrophobicContact CG1-CD1 4.39Å; I72-L80 HydrophobicContact CG2-CD2 4.33Å; T75-L80 HydrophobicContact CG2-CD2 3.46Å; T75-L80 VanDerWaalsContact CG2-CD2 3.46Å; L80-L82 HydrophobicContact CB-CD2 3.86Å; L80-L82 HydrophobicContact CB-CG 4.19Å; L80-L82 HydrophobicContact CD1-CD2 4.13Å; L80-W96 CarbonylContact O-C 3.35Å; L80-W96 WeakPolarHBondContact O-CA 3.47Å; L80-W96 WeakPolarHBondContact O-CB 3.37Å; L80-C97 PolarHBondContact N-O 3.19Å; L80-C97 PolarHBondContact O-N 2.68Å; L80-I99 HydrophobicContact CD1-CD1 4.36Å; L80-I99 HydrophobicContact CD1-CG1 3.86Å; L80-I99 HydrophobicContact CD2-CD1 3.94Å; L80-I99 HydrophobicContact CD2-CG1 4.23Å; L80-I99 HydrophobicContact CG-CD1 4Å; L80-I99 HydrophobicContact CG-CG1 3.72Å; L80-L104 HydrophobicContact CD1-CD1 4Å
81L77.1Confident75.6Confident17 Ų1744.3 Ų44.39%0.08923%0.229CC..EExtended strand (participates in β ladder)trans-89.6126.7157177.250.9000108.8I72 I73 T74 D94 F95 W96I72-L81 CarbonylContact C-O 2.97Å; I72-L81 WeakPolarHBondContact CA-O 3.14Å; I73-L81 HydrophobicContact CB-CB 4.28Å; I73-L81 HydrophobicContact CB-CD2 3.91Å; I73-L81 HydrophobicContact CB-CG 3.84Å; I73-L81 HydrophobicContact CG1-CG 4.28Å; I73-L81 HydrophobicContact CG2-CD2 3.88Å; I73-L81 HydrophobicContact CG2-CG 4.37Å; I73-L81 PolarHBondContact N-O 3.31Å; T74-L81 HydrophobicContact CG2-CB 3.75Å; T74-L81 HydrophobicContact CG2-CD2 4.16Å; T74-L81 PolarHBondContact O-N 3.28Å; L81-D94 HydrophobicContact CD1-CB 3.58Å; L81-D94 HydrophobicContact CD2-CB 4.36Å; L81-D94 HydrophobicContact CG-CB 4.38Å; L81-F95 WeakPolarHBondContact CD1-O 3.11Å; L81-W96 HydrophobicContact CB-CD2 3.67Å; L81-W96 HydrophobicContact CB-CE3 4.01Å; L81-W96 HydrophobicContact CB-CG 4.13Å; L81-W96 HydrophobicContact CB-CH2 4.21Å; L81-W96 HydrophobicContact CB-CZ2 3.85Å; L81-W96 HydrophobicContact CB-CZ3 4.26Å; L81-W96 HydrophobicContact CD1-CD2 4.3Å; L81-W96 HydrophobicContact CD1-CG 3.93Å; L81-W96 HydrophobicContact CD2-CZ2 4.26Å; L81-W96 HydrophobicContact CG-CD2 4.46Å
82L85.1Confident74.2Confident0 Ų047.9 Ų47.90%024%0.239CC..EExtended strand (participates in β ladder)trans-119.4145.8-179.3-58.6-173000111.2L55 V57 A70 A71 I72 L80 D94 F95 C97 L104L55-L82 HydrophobicContact CD1-CD1 3.87Å; L55-L82 HydrophobicContact CD1-CD2 4.25Å; V57-L82 HydrophobicContact CG2-CD1 3.61Å; A70-L82 HydrophobicContact CB-CB 4.14Å; A70-L82 HydrophobicContact CB-CD1 4.41Å; A71-L82 CarbonylContact O-C 3.53Å; A71-L82 WeakPolarHBondContact O-CA 3.31Å; I72-L82 HydrophobicContact CB-CD2 4.32Å; I72-L82 HydrophobicContact CG1-CD2 3.75Å; L80-L82 HydrophobicContact CB-CD2 3.86Å; L80-L82 HydrophobicContact CB-CG 4.19Å; L80-L82 HydrophobicContact CD1-CD2 4.13Å; L82-D94 WeakPolarHBondContact O-CA 3.44Å; L82-F95 HydrophobicContact CB-CD1 4.33Å; L82-F95 HydrophobicContact CB-CE1 3.76Å; L82-F95 HydrophobicContact CB-CE2 3.98Å; L82-F95 HydrophobicContact CB-CZ 3.58Å; L82-F95 HydrophobicContact CD1-CE2 3.95Å; L82-F95 HydrophobicContact CD1-CZ 3.88Å; L82-F95 HydrophobicContact CG-CE2 4.46Å; L82-F95 HydrophobicContact CG-CZ 4.36Å; L82-F95 PolarHBondContact N-O 3.48Å; L82-F95 WeakPolarHBondContact O-CD1 3.36Å; L82-F95 PolarHBondContact O-N 3.06Å; L82-C97 WeakPolarHBondContact CD1-SG 3.32Å; L82-L104 HydrophobicContact CD1-CD2 4.09Å
83R86.8Confident73.2Confident25 Ų2548.7 Ų48.79%0.09425%0.246CC..EExtended strand (participates in β ladder)trans-122.9127.5165.7-174.5-178.4-60.9132.924.2109.3A70 A71 I73 Q88 D94A70-R83 CarbonylContact C-O 3.56Å; A70-R83 WeakPolarHBondContact CA-O 3.43Å; A70-R83 WeakPolarHBondContact CB-O 3.1Å; A71-R83 PolarHBondContact N-O 3.46Å; A71-R83 PolarHBondContact O-N 3.29Å; I73-R83 HydrophobicContact CD1-CB 3.87Å; I73-R83 HydrophobicContact CG1-CB 3.9Å; R83-Q88 WeakPolarHBondContact CD-O 3.19Å; R83-Q88 PolarHBondContact NE-O 2.7Å; R83-Q88 PolarHBondContact NH1-O 3.01Å; R83-D94 IonicContact CZ-OD1 2.76Å; R83-D94 IonicContact CZ-OD2 2.69Å; R83-D94 IonicContact NE-OD1 3.8Å; R83-D94 PolarHBondContact NE-OD1 2.72Å; R83-D94 VanDerWaalsContact NH2-CG 3.28Å; R83-D94 IonicContact NH2-OD1 2.75Å; R83-D94 PolarHBondContact NH2-OD1 3.16Å; R83-D94 IonicContact NH2-OD2 3.66Å; R83-D94 PolarHBondContact NH2-OD2 3.26Å
84Y89.9Confident72.9Confident28 Ų2846.8 Ų46.811%0.1124%0.237CC..EExtended strand (participates in β ladder)trans-62.7138.8174.7-72.6-65.6000111.6V57 V59 W68 A70 G86 Y87 F95 P120V57-Y84 HydrophobicContact CB-CE1 4.16Å; V59-Y84 HydrophobicContact CG2-CE1 3.93Å; W68-Y84 HydrophobicContact CB-CD1 4.09Å; W68-Y84 HydrophobicContact CB-CE1 4.21Å; W68-Y84 AromaticContact CD1-CD1 3.71Å; W68-Y84 HydrophobicContact CG-CD1 4.32Å; A70-Y84 HydrophobicContact CB-CD1 4.06Å; Y84-G86 PolarHBondContact O-N 3.2Å; Y84-Y87 PolarHBondContact O-N 3.22Å; Y84-F95 HydrophobicContact CD1-CE1 4.07Å; Y84-F95 HydrophobicContact CD1-CZ 4.32Å; Y84-F95 AromaticContact CD2-CD1 3.89Å; Y84-F95 HydrophobicContact CD2-CD1 3.89Å; Y84-F95 AromaticContact CD2-CE1 3.4Å; Y84-F95 HydrophobicContact CD2-CE1 3.4Å; Y84-F95 HydrophobicContact CD2-CZ 4.23Å; Y84-F95 AromaticContact CE1-CE1 3.97Å; Y84-F95 HydrophobicContact CE1-CE1 3.97Å; Y84-F95 AromaticContact CE1-CZ 3.85Å; Y84-F95 HydrophobicContact CE1-CZ 3.85Å; Y84-F95 AromaticContact CE2-CD1 3.71Å; Y84-F95 HydrophobicContact CE2-CD1 3.71Å; Y84-F95 AromaticContact CE2-CE1 3.24Å; Y84-F95 HydrophobicContact CE2-CE1 3.24Å; Y84-F95 AromaticContact CE2-CZ 3.72Å; Y84-F95 HydrophobicContact CE2-CZ 3.72Å; Y84-F95 AromaticContact CG-CE1 3.83Å; Y84-F95 HydrophobicContact CG-CE1 3.83Å; Y84-F95 AromaticContact CZ-CE1 3.56Å; Y84-F95 AromaticContact CZ-CZ 3.51Å; Y84-P120 HydrophobicContact CD1-CG 4.05Å; Y84-P120 HydrophobicContact CD2-CG 3.64Å; Y84-P120 HydrophobicContact CE1-CG 4.2Å; Y84-P120 HydrophobicContact CE2-CG 3.83Å; Y84-P120 HydrophobicContact CG-CG 3.75Å
85E90.4Very high73.1Confident36 Ų3647.1 Ų47.117%0.16824%0.236CC..THydrogen-bonded Turntrans-58.2136.1176.1-171.163.4-12700110.2K54 W68 V69 M133 A137K54-E85 WeakPolarHBondContact CE-OE2 3.48Å; K54-E85 IonicContact NZ-OE1 2.95Å; K54-E85 IonicContact NZ-OE2 2.96Å; K54-E85 PolarHBondContact NZ-OE2 2.78Å; W68-E85 PolarHBondContact NE1-O 3.23Å; V69-E85 HydrophobicContact CB-CB 4.08Å; V69-E85 HydrophobicContact CG1-CB 4.2Å; V69-E85 PolarHBondContact O-N 3.41Å; E85-M133 HydrophobicContact CG-CG 4.09Å; E85-M133 HydrophobicContact CG-SD 4.28Å; E85-A137 HydrophobicContact CG-CB 3.91Å
86G84.5Confident73.3Confident2 Ų245.6 Ų45.62%0.02123%0.225CC..THydrogen-bonded Turntrans98-8.2-173.500000116.1Y84 H127 M133Y84-G86 PolarHBondContact O-N 3.2Å; G86-H127 PolarHBondContact O-CD2 3.13Å; G86-H127 PolarHBondContact O-NE2 3.2Å; G86-M133 WeakPolarHBondContact CA-SD 3.18Å
87Y80.4Confident74Confident39 Ų3944.3 Ų44.315%0.15322%0.217CC..  trans-87.9-12.9168.6-74.2-74.5000114.2Y84 D89 D90 A93 G122 V123Y84-Y87 PolarHBondContact O-N 3.22Å; Y87-D89 PolarHBondContact O-N 2.84Å; Y87-D90 WeakPolarHBondContact O-CB 3.49Å; Y87-D90 PolarHBondContact O-N 3.46Å; Y87-A93 HydrophobicContact CD1-CB 3.42Å; Y87-A93 VanDerWaalsContact CD1-CB 3.42Å; Y87-A93 HydrophobicContact CD2-CB 3.2Å; Y87-A93 HydrophobicContact CE1-CB 3.74Å; Y87-A93 HydrophobicContact CE2-CB 3.47Å; Y87-A93 VanDerWaalsContact CE2-CB 3.47Å; Y87-A93 HydrophobicContact CG-CB 3.15Å; Y87-G122 WeakPolarHBondContact OH-CA 3.27Å; Y87-V123 HydrophobicContact CD2-CG2 3.47Å; Y87-V123 VanDerWaalsContact CD2-CG2 3.47Å; Y87-V123 HydrophobicContact CE1-CG2 4.3Å; Y87-V123 HydrophobicContact CE2-CB 4.5Å; Y87-V123 HydrophobicContact CE2-CG2 3.13Å; Y87-V123 HydrophobicContact CG-CG2 4.23Å; Y87-V123 PolarHBondContact OH-N 2.81Å
88Q77.8Confident74.5Confident140 Ų14044.3 Ų44.365%0.65421%0.208SC*.THydrogen-bonded Turntrans51.9-123.2179.4-59-172.2-7.100112.4R83 D90R83-Q88 WeakPolarHBondContact CD-O 3.19Å; R83-Q88 PolarHBondContact NE-O 2.7Å; R83-Q88 PolarHBondContact NH1-O 3.01Å; Q88-D90 VanDerWaalsContact C-N 3.27Å; Q88-D90 PolarHBondContact O-N 2.81Å
89D70.4Confident75.1Confident149 Ų14940.5 Ų40.580%0.79719%0.191SC*.THydrogen-bonded Turntrans-83.84178.9-67.4-52000114.2Y87 R91Y87-D89 PolarHBondContact O-N 2.84Å; D89-R91 PolarHBondContact O-N 2.84Å
90D72.7Confident75.3Confident50 Ų5042 Ų4227%0.26720%0.198SC..  trans-72.278.3178.2-157.611.6000109.7Y87 Q88 R92 A93 K126Y87-D90 WeakPolarHBondContact O-CB 3.49Å; Y87-D90 PolarHBondContact O-N 3.46Å; Q88-D90 VanDerWaalsContact C-N 3.27Å; Q88-D90 PolarHBondContact O-N 2.81Å; D90-R92 PolarHBondContact O-N 2.69Å; D90-R92 VanDerWaalsContact OD1-CB 3.3Å; D90-R92 WeakPolarHBondContact OD1-CB 3.48Å; D90-R92 VanDerWaalsContact OD1-CD 3.26Å; D90-R92 WeakPolarHBondContact OD1-CD 3.36Å; D90-R92 WeakPolarHBondContact OD1-CG 3.39Å; D90-A93 PolarHBondContact O-N 3.01Å; D90-K126 IonicContact OD2-NZ 2.77Å; D90-K126 PolarHBondContact OD2-NZ 2.82Å
91R62Low75.2Confident108 Ų10846.6 Ų46.641%0.40823%0.226SC..G310 helixtrans-52.1-1.5171.2-66.4-175.8178.8-161.9-3.1113.7D89 D94 Q821 C839D89-R91 PolarHBondContact O-N 2.84Å; R91-D94 WeakPolarHBondContact CA-OD1 3.28Å; R91-D94 WeakPolarHBondContact O-CB 3.28Å; R91-Q821 CarbonylContact O-C 3.58Å; R91-C839 PolarHBondContact NH1-O 3.34Å; R91-C839 VanDerWaalsContact NH1-O 3.12Å
92R62.4Low75.2Confident92 Ų9246.3 Ų46.335%0.34723%0.225SC..G310 helixtrans-75-25.2172.7-61.6-172.8168.5-90.2-7113D90 D94 L819 D820 E822D90-R92 PolarHBondContact O-N 2.69Å; D90-R92 VanDerWaalsContact OD1-CB 3.3Å; D90-R92 WeakPolarHBondContact OD1-CB 3.48Å; D90-R92 VanDerWaalsContact OD1-CD 3.26Å; D90-R92 WeakPolarHBondContact OD1-CD 3.36Å; D90-R92 WeakPolarHBondContact OD1-CG 3.39Å; R92-D94 VanDerWaalsContact C-N 3.3Å; R92-L819 PolarHBondContact NH1-O 2.67Å; R92-L819 VanDerWaalsContact NH1-O 3.1Å; R92-D820 IonicContact CZ-OD1 3.57Å; R92-D820 IonicContact NH2-OD1 2.77Å; R92-D820 PolarHBondContact NH2-OD1 2.87Å; R92-E822 HydrophobicContact CB-CB 4.23Å; R92-E822 HydrophobicContact CB-CG 3.79Å; R92-E822 WeakPolarHBondContact CB-OE1 3.44Å; R92-E822 VanDerWaalsContact CD-OE1 3.24Å; R92-E822 WeakPolarHBondContact CD-OE1 3.37Å; R92-E822 HydrophobicContact CG-CG 3.85Å; R92-E822 WeakPolarHBondContact CG-OE1 3.48Å; R92-E822 IonicContact CZ-OE1 3.09Å; R92-E822 IonicContact NE-OE1 3.65Å; R92-E822 IonicContact NH1-OE1 2.69Å; R92-E822 PolarHBondContact NH1-OE1 3.27Å; R92-E822 WeakPolarHBondContact O-CB 3.37Å
93A66.3Low75.2Confident18 Ų1848.3 Ų48.315%0.14924%0.236CC..G310 helixtrans-9721.9177.300000113.3Y87 D90Y87-A93 HydrophobicContact CD1-CB 3.42Å; Y87-A93 VanDerWaalsContact CD1-CB 3.42Å; Y87-A93 HydrophobicContact CD2-CB 3.2Å; Y87-A93 HydrophobicContact CE1-CB 3.74Å; Y87-A93 HydrophobicContact CE2-CB 3.47Å; Y87-A93 VanDerWaalsContact CE2-CB 3.47Å; Y87-A93 HydrophobicContact CG-CB 3.15Å; D90-A93 PolarHBondContact O-N 3.01Å
94D73.6Confident75.3Confident18 Ų1847.1 Ų47.110%0.09623%0.232CC..EExtended strand (participates in β ladder)trans-83.3111.8-180-7820.1000109L81 L82 R83 R91 R92L81-D94 HydrophobicContact CD1-CB 3.58Å; L81-D94 HydrophobicContact CD2-CB 4.36Å; L81-D94 HydrophobicContact CG-CB 4.38Å; L82-D94 WeakPolarHBondContact O-CA 3.44Å; R83-D94 IonicContact CZ-OD1 2.76Å; R83-D94 IonicContact CZ-OD2 2.69Å; R83-D94 IonicContact NE-OD1 3.8Å; R83-D94 PolarHBondContact NE-OD1 2.72Å; R83-D94 VanDerWaalsContact NH2-CG 3.28Å; R83-D94 IonicContact NH2-OD1 2.75Å; R83-D94 PolarHBondContact NH2-OD1 3.16Å; R83-D94 IonicContact NH2-OD2 3.66Å; R83-D94 PolarHBondContact NH2-OD2 3.26Å; R91-D94 WeakPolarHBondContact CA-OD1 3.28Å; R91-D94 WeakPolarHBondContact O-CB 3.28Å; R92-D94 VanDerWaalsContact C-N 3.3Å
95F70.5Confident75.3Confident36 Ų3647 Ų4716%0.15823%0.232CC..EExtended strand (participates in β ladder)trans-121.6145.4176.671.2-80.7000109.1V57 A70 L81 L82 Y84V57-F95 HydrophobicContact CG1-CE2 4.12Å; V57-F95 HydrophobicContact CG1-CZ 4.1Å; V57-F95 HydrophobicContact CG2-CZ 4.32Å; A70-F95 HydrophobicContact CB-CZ 4.4Å; L81-F95 WeakPolarHBondContact CD1-O 3.11Å; L82-F95 HydrophobicContact CB-CD1 4.33Å; L82-F95 HydrophobicContact CB-CE1 3.76Å; L82-F95 HydrophobicContact CB-CE2 3.98Å; L82-F95 HydrophobicContact CB-CZ 3.58Å; L82-F95 HydrophobicContact CD1-CE2 3.95Å; L82-F95 HydrophobicContact CD1-CZ 3.88Å; L82-F95 HydrophobicContact CG-CE2 4.46Å; L82-F95 HydrophobicContact CG-CZ 4.36Å; L82-F95 PolarHBondContact N-O 3.48Å; L82-F95 WeakPolarHBondContact O-CD1 3.36Å; L82-F95 PolarHBondContact O-N 3.06Å; Y84-F95 HydrophobicContact CD1-CE1 4.07Å; Y84-F95 HydrophobicContact CD1-CZ 4.32Å; Y84-F95 AromaticContact CD2-CD1 3.89Å; Y84-F95 HydrophobicContact CD2-CD1 3.89Å; Y84-F95 AromaticContact CD2-CE1 3.4Å; Y84-F95 HydrophobicContact CD2-CE1 3.4Å; Y84-F95 HydrophobicContact CD2-CZ 4.23Å; Y84-F95 AromaticContact CE1-CE1 3.97Å; Y84-F95 HydrophobicContact CE1-CE1 3.97Å; Y84-F95 AromaticContact CE1-CZ 3.85Å; Y84-F95 HydrophobicContact CE1-CZ 3.85Å; Y84-F95 AromaticContact CE2-CD1 3.71Å; Y84-F95 HydrophobicContact CE2-CD1 3.71Å; Y84-F95 AromaticContact CE2-CE1 3.24Å; Y84-F95 HydrophobicContact CE2-CE1 3.24Å; Y84-F95 AromaticContact CE2-CZ 3.72Å; Y84-F95 HydrophobicContact CE2-CZ 3.72Å; Y84-F95 AromaticContact CG-CE1 3.83Å; Y84-F95 HydrophobicContact CG-CE1 3.83Å; Y84-F95 AromaticContact CZ-CE1 3.56Å; Y84-F95 AromaticContact CZ-CZ 3.51Å
96W70.3Confident75.4Confident7 Ų746.2 Ų46.23%0.02723%0.23CC..EExtended strand (participates in β ladder)trans-99.3158.9176.5-69.461.2000111.8T74 C76 L80 L81 Q826 A827 L830T74-W96 HydrophobicContact CG2-CH2 3.61Å; T74-W96 HydrophobicContact CG2-CZ2 3.92Å; T74-W96 HydrophobicContact CG2-CZ3 4.33Å; C76-W96 HydrophobicContact CB-CH2 4.34Å; C76-W96 HydrophobicContact CB-CZ3 3.94Å; L80-W96 CarbonylContact O-C 3.35Å; L80-W96 WeakPolarHBondContact O-CA 3.47Å; L80-W96 WeakPolarHBondContact O-CB 3.37Å; L81-W96 HydrophobicContact CB-CD2 3.67Å; L81-W96 HydrophobicContact CB-CE3 4.01Å; L81-W96 HydrophobicContact CB-CG 4.13Å; L81-W96 HydrophobicContact CB-CH2 4.21Å; L81-W96 HydrophobicContact CB-CZ2 3.85Å; L81-W96 HydrophobicContact CB-CZ3 4.26Å; L81-W96 HydrophobicContact CD1-CD2 4.3Å; L81-W96 HydrophobicContact CD1-CG 3.93Å; L81-W96 HydrophobicContact CD2-CZ2 4.26Å; L81-W96 HydrophobicContact CG-CD2 4.46Å; W96-Q826 HydrophobicContact CB-CB 4.21Å; W96-Q826 PolarHBondContact O-OE1 3.08Å; W96-A827 HydrophobicContact CG-CB 4.04Å; W96-A827 VanDerWaalsContact NE1-CB 3.29Å; W96-L830 HydrophobicContact CB-CD1 3.45Å; W96-L830 VanDerWaalsContact CB-CD1 3.45Å; W96-L830 HydrophobicContact CD2-CB 3.78Å; W96-L830 HydrophobicContact CD2-CD1 3.63Å; W96-L830 HydrophobicContact CD2-CG 4.33Å; W96-L830 HydrophobicContact CE3-CB 3.45Å; W96-L830 VanDerWaalsContact CE3-CB 3.45Å; W96-L830 HydrophobicContact CE3-CD1 3.4Å; W96-L830 HydrophobicContact CE3-CG 4.02Å; W96-L830 HydrophobicContact CG-CD1 3.75Å; W96-L830 HydrophobicContact CH2-CB 3.89Å; W96-L830 HydrophobicContact CZ2-CB 4.19Å; W96-L830 HydrophobicContact CZ3-CB 3.53Å; W96-L830 HydrophobicContact CZ3-CD1 4.28Å; W96-L830 HydrophobicContact CZ3-CG 4.48Å
97C71.2Confident75.7Confident8 Ų847.7 Ų47.75%0.05424%0.237CC..EExtended strand (participates in β ladder)trans-144.8151.1173.269.70000112L79 L80 L82 A102L79-C97 WeakPolarHBondContact CA-O 3.49Å; L80-C97 PolarHBondContact N-O 3.19Å; L80-C97 PolarHBondContact O-N 2.68Å; L82-C97 WeakPolarHBondContact CD1-SG 3.32Å; C97-A102 HydrophobicContact CB-CB 3.8Å
98D71.8Confident76Confident36 Ų3646.9 Ų46.919%0.19324%0.241CC..EExtended strand (participates in β ladder)trans-86123.4168.6164.126.8000109.6L79 M100 T101 A102L79-D98 HydrophobicContact CD2-CB 3.58Å; L79-D98 HydrophobicContact CG-CB 4.3Å; D98-M100 PolarHBondContact O-N 2.99Å; D98-M100 WeakPolarHBondContact OD1-CB 3.37Å; D98-M100 WeakPolarHBondContact OD1-CG 3.4Å; D98-M100 PolarHBondContact OD1-N 3.19Å; D98-T101 PolarHBondContact O-N 3.46Å; D98-T101 VanDerWaalsContact OD2-CB 3.26Å; D98-T101 WeakPolarHBondContact OD2-CB 3.49Å; D98-T101 WeakPolarHBondContact OD2-CG2 3.49Å; D98-T101 PolarHBondContact OD2-N 2.76Å; D98-T101 VanDerWaalsContact OD2-N 3.09Å; D98-T101 PolarHBondContact OD2-OG1 3.32Å; D98-A102 WeakPolarHBondContact O-CA 3.45Å; D98-A102 WeakPolarHBondContact O-CB 3.46Å; D98-A102 PolarHBondContact O-N 3.39Å
99I75.8Confident76.7Confident0 Ų041.5 Ų41.50%022%0.215CC..THydrogen-bonded Turntrans-57.9-34179.7-60.5163.7000110.8L49 Q78 L80 L104 R154L49-I99 HydrophobicContact CD1-CD1 3.76Å; L49-I99 HydrophobicContact CD1-CG1 4.41Å; Q78-I99 WeakPolarHBondContact O-CB 3.47Å; Q78-I99 WeakPolarHBondContact O-CD1 3.33Å; Q78-I99 WeakPolarHBondContact O-CG1 3.47Å; Q78-I99 PolarHBondContact O-N 3.16Å; L80-I99 HydrophobicContact CD1-CD1 4.36Å; L80-I99 HydrophobicContact CD1-CG1 3.86Å; L80-I99 HydrophobicContact CD2-CD1 3.94Å; L80-I99 HydrophobicContact CD2-CG1 4.23Å; L80-I99 HydrophobicContact CG-CD1 4Å; L80-I99 HydrophobicContact CG-CG1 3.72Å; I99-L104 HydrophobicContact CG1-CD1 4.43Å; I99-R154 HydrophobicContact CG2-CG 3.84Å; I99-R154 VanDerWaalsContact O-CD 3.26Å; I99-R154 WeakPolarHBondContact O-CD 3.44Å; I99-R154 PolarHBondContact O-NH1 3.4Å
100M67.7Low77.6Confident74 Ų7434.4 Ų34.437%0.36518%0.177SC..THydrogen-bonded Turntrans-70-45.6-176.7-51.9-50.7-71.200111.7D98 R154D98-M100 PolarHBondContact O-N 2.99Å; D98-M100 WeakPolarHBondContact OD1-CB 3.37Å; D98-M100 WeakPolarHBondContact OD1-CG 3.4Å; D98-M100 PolarHBondContact OD1-N 3.19Å; M100-R154 WeakPolarHBondContact CE-O 3.2Å; M100-R154 PolarHBondContact O-NH1 3.11Å; M100-R154 VanDerWaalsContact O-NH1 3.15Å; M100-R154 HydrophobicContact SD-CG 4.2Å; M100-R154 VanDerWaalsContact SD-O 3.34Å
101T72.8Confident78.3Confident96 Ų9639 Ų3959%0.58919%0.19SC*.THydrogen-bonded Turntrans-106.4-7-173.564.80000116R60 D98R60-T101 PolarHBondContact NH2-O 2.99Å; D98-T101 PolarHBondContact O-N 3.46Å; D98-T101 VanDerWaalsContact OD2-CB 3.26Å; D98-T101 WeakPolarHBondContact OD2-CB 3.49Å; D98-T101 WeakPolarHBondContact OD2-CG2 3.49Å; D98-T101 PolarHBondContact OD2-N 2.76Å; D98-T101 VanDerWaalsContact OD2-N 3.09Å; D98-T101 PolarHBondContact OD2-OG1 3.32Å
102A77.2Confident79.6Confident10 Ų1041.2 Ų41.28%0.08321%0.205CC..SBendtrans-78.5157.2170.100000111.6C97 D98 L104 R154C97-A102 HydrophobicContact CB-CB 3.8Å; D98-A102 WeakPolarHBondContact O-CA 3.45Å; D98-A102 WeakPolarHBondContact O-CB 3.46Å; D98-A102 PolarHBondContact O-N 3.39Å; A102-L104 HydrophobicContact CB-CD1 4.09Å; A102-L104 HydrophobicContact CB-CD2 3.93Å; A102-L104 HydrophobicContact CB-CG 3.69Å; A102-L104 PolarHBondContact O-N 3.09Å; A102-R154 PolarHBondContact O-NH1 2.94Å
103D84.8Confident80.8Confident43 Ų4341.4 Ų41.423%0.2321%0.21CC..  trans-101.882.9176.1-167.734000108C58 Y67 H105C58-D103 HydrophobicContact CB-CB 3.8Å; C58-D103 PolarHBondContact N-O 3.24Å; C58-D103 VanDerWaalsContact N-O 3.12Å; Y67-D103 VanDerWaalsContact CE1-OD2 3.26Å; Y67-D103 WeakPolarHBondContact CE1-OD2 3.5Å; Y67-D103 VanDerWaalsContact CZ-OD2 3.28Å; Y67-D103 PolarHBondContact OH-OD2 2.93Å; D103-H105 IonicContact OD1-CD2 2.91Å; D103-H105 IonicContact OD1-CE1 3.9Å; D103-H105 CovalentContact OD1-NE2 1.8Å; D103-H105 IonicContact OD1-NE2 2.71Å; D103-H105 PolarHBondContact OD1-NE2 3.27Å; D103-H105 IonicContact OD2-NE2 3.16Å; D103-H105 PolarHBondContact OD2-NE2 3.38Å
104L89.4Confident81.7Confident0 Ų043.9 Ų43.90%024%0.237CC..EExtended strand (participates in β ladder)trans-110.6138.3-175.2-52.2177.3000110.2L55 E56 V57 L80 L82 I99 A102 L149 R154L55-L104 HydrophobicContact CD1-CD2 4.12Å; L55-L104 HydrophobicContact CD2-CD1 4.38Å; E56-L104 WeakPolarHBondContact O-CA 3.24Å; V57-L104 HydrophobicContact CB-CD2 4.37Å; V57-L104 HydrophobicContact CG1-CD2 4.04Å; V57-L104 HydrophobicContact CG2-CD2 3.9Å; L80-L104 HydrophobicContact CD1-CD1 4Å; L82-L104 HydrophobicContact CD1-CD2 4.09Å; I99-L104 HydrophobicContact CG1-CD1 4.43Å; A102-L104 HydrophobicContact CB-CD1 4.09Å; A102-L104 HydrophobicContact CB-CD2 3.93Å; A102-L104 HydrophobicContact CB-CG 3.69Å; A102-L104 PolarHBondContact O-N 3.09Å; L104-L149 HydrophobicContact CB-CD1 4.49Å; L104-L149 HydrophobicContact CB-CD2 4.05Å; L104-L149 HydrophobicContact CD1-CD2 4.15Å; L104-R154 PolarHBondContact O-NH2 3.06Å
105H89.9Confident82.5Confident26 Ų2647.1 Ų47.112%0.1225%0.25CC..EExtended strand (participates in β ladder)trans-143.7157-177.5-61.5-74.5000111.6L55 E56 Y67 D103 W109L55-H105 WeakPolarHBondContact CB-O 3.28Å; E56-H105 HydrophobicContact CB-CB 4.42Å; E56-H105 PolarHBondContact N-O 2.92Å; E56-H105 PolarHBondContact O-N 3.2Å; Y67-H105 AromaticContact CE1-CD2 3.81Å; Y67-H105 AromaticContact CE1-NE2 3.97Å; D103-H105 IonicContact OD1-CD2 2.91Å; D103-H105 IonicContact OD1-CE1 3.9Å; D103-H105 CovalentContact OD1-NE2 1.8Å; D103-H105 IonicContact OD1-NE2 2.71Å; D103-H105 PolarHBondContact OD1-NE2 3.27Å; D103-H105 IonicContact OD2-NE2 3.16Å; D103-H105 PolarHBondContact OD2-NE2 3.38Å; H105-W109 HydrophobicContact CB-CB 3.66Å; H105-W109 HydrophobicContact CB-CD2 3.66Å; H105-W109 HydrophobicContact CB-CE3 3.95Å; H105-W109 HydrophobicContact CB-CG 3.53Å; H105-W109 AromaticContact CD2-CD2 3.99Å; H105-W109 AromaticContact CD2-CE3 3.73Å; H105-W109 AromaticContact CD2-CH2 3.95Å; H105-W109 AromaticContact CD2-CZ3 3.7Å; H105-W109 AromaticContact CE1-CE2 3.97Å; H105-W109 AromaticContact CE1-CZ2 3.59Å; H105-W109 AromaticContact CG-CD2 3.41Å; H105-W109 VanDerWaalsContact CG-CD2 3.41Å; H105-W109 AromaticContact CG-CE2 3.62Å; H105-W109 AromaticContact CG-CE3 3.61Å; H105-W109 AromaticContact CG-CG 3.78Å; H105-W109 AromaticContact CG-NE1 3.96Å; H105-W109 AromaticContact ND1-CD1 3.76Å; H105-W109 AromaticContact ND1-CD2 3.57Å; H105-W109 AromaticContact ND1-CE2 3.23Å; H105-W109 AromaticContact ND1-CG 3.93Å; H105-W109 AromaticContact ND1-CZ2 3.58Å; H105-W109 AromaticContact ND1-NE1 3.32Å; H105-W109 PolarHBondContact ND1-NE1 2.94Å; H105-W109 AromaticContact NE2-CH2 3.95Å
106P91.3Very high83.4Confident19 Ų1949.3 Ų49.312%0.12327%0.267CS..  trans-65.4161.7173.529.6-37.5000112.3G108 W109 A146P106-G108 PolarHBondContact O-N 2.94Å; P106-W109 HydrophobicContact CG-CB 4.34Å; P106-W109 VanDerWaalsContact O-CB 3.27Å; P106-W109 WeakPolarHBondContact O-CB 3.12Å; P106-W109 PolarHBondContact O-N 3.31Å; P106-A146 HydrophobicContact CB-CB 4.31Å; P106-A146 HydrophobicContact CG-CB 3.87Å
107L91.6Very high84.4Confident33 Ų3350.3 Ų50.317%0.17327%0.272CS..THydrogen-bonded Turntrans-61.9132178.7-61.7-175.4000111.7K54 E56 V69 L138 S143K54-L107 HydrophobicContact CB-CD1 4.09Å; K54-L107 HydrophobicContact CB-CD2 4.21Å; K54-L107 HydrophobicContact CB-CG 4.47Å; E56-L107 HydrophobicContact CG-CD2 4.23Å; V69-L107 HydrophobicContact CG1-CD2 3.89Å; V69-L107 HydrophobicContact CG2-CD2 4.05Å; L107-L138 HydrophobicContact CB-CD2 4.06Å; L107-L138 HydrophobicContact CD2-CD2 4.28Å; L107-S143 PolarHBondContact N-OG 2.89Å
108G87.3Confident85.3Confident22 Ų2253.2 Ų53.223%0.22728%0.282CS..THydrogen-bonded Turntrans92.8-9.8-178.300000114.5E56 P106 S110 R111 Q112E56-G108 WeakPolarHBondContact OE1-CA 3.26Å; E56-G108 PolarHBondContact OE1-N 3.45Å; P106-G108 PolarHBondContact O-N 2.94Å; G108-S110 VanDerWaalsContact C-N 3.33Å; G108-S110 PolarHBondContact O-N 3.24Å; G108-R111 WeakPolarHBondContact O-CB 3.47Å; G108-R111 PolarHBondContact O-N 3.2Å; G108-R111 VanDerWaalsContact O-N 3.11Å; G108-Q112 PolarHBondContact O-N 2.8Å
109W91.5Very high86.1Confident27 Ų2751.5 Ų51.510%0.10227%0.273CS..Hα-helixtrans-57.5-43.3179.9-179.699.4000112.7Y67 H105 P106 R111 Q112 H113 K115 E150Y67-W109 AromaticContact CE1-CZ3 3.99Å; Y67-W109 HydrophobicContact CE1-CZ3 3.99Å; Y67-W109 HydrophobicContact CE2-CZ3 4.19Å; Y67-W109 AromaticContact CZ-CZ3 3.79Å; H105-W109 HydrophobicContact CB-CB 3.66Å; H105-W109 HydrophobicContact CB-CD2 3.66Å; H105-W109 HydrophobicContact CB-CE3 3.95Å; H105-W109 HydrophobicContact CB-CG 3.53Å; H105-W109 AromaticContact CD2-CD2 3.99Å; H105-W109 AromaticContact CD2-CE3 3.73Å; H105-W109 AromaticContact CD2-CH2 3.95Å; H105-W109 AromaticContact CD2-CZ3 3.7Å; H105-W109 AromaticContact CE1-CE2 3.97Å; H105-W109 AromaticContact CE1-CZ2 3.59Å; H105-W109 AromaticContact CG-CD2 3.41Å; H105-W109 VanDerWaalsContact CG-CD2 3.41Å; H105-W109 AromaticContact CG-CE2 3.62Å; H105-W109 AromaticContact CG-CE3 3.61Å; H105-W109 AromaticContact CG-CG 3.78Å; H105-W109 AromaticContact CG-NE1 3.96Å; H105-W109 AromaticContact ND1-CD1 3.76Å; H105-W109 AromaticContact ND1-CD2 3.57Å; H105-W109 AromaticContact ND1-CE2 3.23Å; H105-W109 AromaticContact ND1-CG 3.93Å; H105-W109 AromaticContact ND1-CZ2 3.58Å; H105-W109 AromaticContact ND1-NE1 3.32Å; H105-W109 PolarHBondContact ND1-NE1 2.94Å; H105-W109 AromaticContact NE2-CH2 3.95Å; P106-W109 HydrophobicContact CG-CB 4.34Å; P106-W109 VanDerWaalsContact O-CB 3.27Å; P106-W109 WeakPolarHBondContact O-CB 3.12Å; P106-W109 PolarHBondContact O-N 3.31Å; W109-R111 VanDerWaalsContact C-N 3.31Å; W109-R111 PolarHBondContact O-N 2.93Å; W109-Q112 WeakPolarHBondContact O-CB 3.31Å; W109-Q112 PolarHBondContact O-N 3.38Å; W109-H113 AromaticContact CD1-CE1 3.53Å; W109-H113 AromaticContact CD1-ND1 3.52Å; W109-H113 AromaticContact CD2-ND1 3.46Å; W109-H113 AromaticContact CE2-CE1 3.62Å; W109-H113 AromaticContact CE2-CG 3.88Å; W109-H113 AromaticContact CE2-ND1 3.3Å; W109-H113 VanDerWaalsContact CE2-ND1 3.3Å; W109-H113 AromaticContact CG-ND1 3.59Å; W109-H113 AromaticContact CZ2-ND1 3.93Å; W109-H113 AromaticContact NE1-CE1 3.23Å; W109-H113 PolarHBondContact NE1-CE1 3.21Å; W109-H113 AromaticContact NE1-ND1 3.35Å; W109-H113 PolarHBondContact NE1-ND1 3.01Å; W109-H113 WeakPolarHBondContact O-CB 3.24Å; W109-H113 PolarHBondContact O-N 2.86Å; W109-H113 PolarHBondContact O-ND1 3.44Å; W109-K115 HydrophobicContact CE3-CG 4.5Å; W109-K115 HydrophobicContact CH2-CG 4.41Å; W109-K115 HydrophobicContact CZ3-CG 3.8Å; W109-E150 PolarHBondContact NE1-OE1 3Å
110S89.8Confident86.6Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-64.3-37177.9-69.10000112.1E56 Y67 G108 H113 G114 K115 M117E56-S110 WeakPolarHBondContact OE2-CA 3.31Å; E56-S110 WeakPolarHBondContact OE2-CB 3.47Å; E56-S110 PolarHBondContact OE2-N 3.11Å; E56-S110 PolarHBondContact OE2-OG 3.18Å; Y67-S110 WeakPolarHBondContact CB-OG 3.45Å; G108-S110 VanDerWaalsContact C-N 3.33Å; G108-S110 PolarHBondContact O-N 3.24Å; S110-H113 PolarHBondContact O-N 2.89Å; S110-G114 PolarHBondContact O-N 3.37Å; S110-K115 PolarHBondContact O-N 3.04Å; S110-M117 WeakPolarHBondContact CB-SD 3.42Å
111R87.4Confident87.3Confident146 Ų14654.4 Ų54.455%0.55129%0.286SS*.Hα-helixtrans-65.7-38.6175.4-176.6-175.8-77.6166.8-9.2111.1G108 W109 E135G108-R111 WeakPolarHBondContact O-CB 3.47Å; G108-R111 PolarHBondContact O-N 3.2Å; G108-R111 VanDerWaalsContact O-N 3.11Å; W109-R111 VanDerWaalsContact C-N 3.31Å; W109-R111 PolarHBondContact O-N 2.93Å; R111-E135 IonicContact CZ-OE1 2.73Å; R111-E135 IonicContact CZ-OE2 2.63Å; R111-E135 IonicContact NH2-OE1 3.65Å; R111-E135 PolarHBondContact NH2-OE1 2.85Å; R111-E135 IonicContact NH2-OE2 3.83Å; R111-E135 PolarHBondContact NH2-OE2 3.34Å
112Q88.7Confident87.8Confident155 Ų15550.9 Ų50.972%0.72427%0.269SS*.Hα-helixtrans-69.1-40.9174.8-177178.31.800112.5G108 W109G108-Q112 PolarHBondContact O-N 2.8Å; W109-Q112 WeakPolarHBondContact O-CB 3.31Å; W109-Q112 PolarHBondContact O-N 3.38Å
113H87.3Confident88.1Confident96 Ų9650.4 Ų50.444%0.44427%0.265SS..THydrogen-bonded Turntrans-90.97.3-176.1-68.293.2000114.6W109 S110 K115W109-H113 AromaticContact CD1-CE1 3.53Å; W109-H113 AromaticContact CD1-ND1 3.52Å; W109-H113 AromaticContact CD2-ND1 3.46Å; W109-H113 AromaticContact CE2-CE1 3.62Å; W109-H113 AromaticContact CE2-CG 3.88Å; W109-H113 AromaticContact CE2-ND1 3.3Å; W109-H113 VanDerWaalsContact CE2-ND1 3.3Å; W109-H113 AromaticContact CG-ND1 3.59Å; W109-H113 AromaticContact CZ2-ND1 3.93Å; W109-H113 AromaticContact NE1-CE1 3.23Å; W109-H113 PolarHBondContact NE1-CE1 3.21Å; W109-H113 AromaticContact NE1-ND1 3.35Å; W109-H113 PolarHBondContact NE1-ND1 3.01Å; W109-H113 WeakPolarHBondContact O-CB 3.24Å; W109-H113 PolarHBondContact O-N 2.86Å; W109-H113 PolarHBondContact O-ND1 3.44Å; S110-H113 PolarHBondContact O-N 2.89Å; H113-K115 HydrophobicContact CB-CG 4.17Å; H113-K115 PolarHBondContact O-N 2.86Å
114G86.6Confident88.1Confident69 Ų6951.9 Ų51.971%0.71127%0.267SS*.THydrogen-bonded Turntrans6426.4178.900000114.1S110S110-G114 PolarHBondContact O-N 3.37Å
115K90.1Very high87.9Confident86 Ų8659.3 Ų59.337%0.37430%0.302SS..  trans-82.5148.5177.3-58.2-58.7-167.187.70110.8Y67 W109 S110 H113 M117Y67-K115 HydrophobicContact CD2-CB 3.79Å; Y67-K115 HydrophobicContact CD2-CG 4.14Å; Y67-K115 HydrophobicContact CE2-CB 3.93Å; Y67-K115 HydrophobicContact CE2-CD 4.06Å; Y67-K115 HydrophobicContact CE2-CG 3.78Å; Y67-K115 PolarHBondContact OH-NZ 2.86Å; W109-K115 HydrophobicContact CE3-CG 4.5Å; W109-K115 HydrophobicContact CH2-CG 4.41Å; W109-K115 HydrophobicContact CZ3-CG 3.8Å; S110-K115 PolarHBondContact O-N 3.04Å; H113-K115 HydrophobicContact CB-CG 4.17Å; H113-K115 PolarHBondContact O-N 2.86Å; K115-M117 PolarHBondContact O-N 2.97Å
116T89.5Confident87.6Confident83 Ų8362.9 Ų62.951%0.50932%0.317SS..  trans-75.6114.1176.4-53.50000110.4P66 Y67P66-T116 WeakPolarHBondContact CA-O 3.28Å; P66-T116 VanDerWaalsContact CB-O 3.26Å; P66-T116 WeakPolarHBondContact CB-O 3.15Å; Y67-T116 PolarHBondContact N-O 2.86Å
117M90.8Very high87.3Confident28 Ų2864.6 Ų64.614%0.13832%0.323CS..BIsolated β-bridgetrans-77.9129.3163.6-66.2-61.1-8600109.5E56 Y67 V69 S110 K115 L134E56-M117 HydrophobicContact CG-CE 3.95Å; Y67-M117 CarbonylContact O-C 3.6Å; Y67-M117 VanDerWaalsContact O-CA 3.28Å; Y67-M117 WeakPolarHBondContact O-CA 3.26Å; V69-M117 HydrophobicContact CG2-CE 3.89Å; S110-M117 WeakPolarHBondContact CB-SD 3.42Å; K115-M117 PolarHBondContact O-N 2.97Å; M117-L134 HydrophobicContact CB-CD2 3.68Å; M117-L134 HydrophobicContact CE-CD1 3.72Å; M117-L134 HydrophobicContact CG-CD2 4.2Å
118R89.8Confident86.9Confident69 Ų6968.1 Ų68.126%0.2635%0.348SS..  trans-155.4133176.1-167.4-164.2-65.9150.23.2111.2E62 A63 P66 Y67E62-R118 WeakPolarHBondContact OE2-CD 3.35Å; E62-R118 IonicContact OE2-CZ 2.69Å; E62-R118 IonicContact OE2-NE 3.62Å; E62-R118 IonicContact OE2-NH1 2.72Å; E62-R118 PolarHBondContact OE2-NH1 3.29Å; A63-R118 PolarHBondContact O-NH1 2.87Å; P66-R118 HydrophobicContact CB-CB 3.83Å; P66-R118 HydrophobicContact CG-CB 4.1Å; Y67-R118 PolarHBondContact O-N 3.02Å
119P88.5Confident86.9Confident0 Ų074.7 Ų74.70%037%0.373CS..  trans-66.2147.717726.3-35.9000112.5W68 V123 R124 W130W68-P119 HydrophobicContact CD2-CB 4.02Å; W68-P119 HydrophobicContact CE3-CB 4.25Å; W68-P119 VanDerWaalsContact CE3-N 3.32Å; W68-P119 HydrophobicContact CH2-CB 4.07Å; W68-P119 HydrophobicContact CH2-CG 4.3Å; W68-P119 HydrophobicContact CZ2-CB 3.83Å; W68-P119 HydrophobicContact CZ3-CB 4.26Å; W68-P119 HydrophobicContact CZ3-CG 4.39Å; P119-V123 HydrophobicContact CB-CB 3.88Å; P119-V123 HydrophobicContact CB-CG1 3.87Å; P119-R124 HydrophobicContact CG-CB 4.08Å; P119-R124 PolarHBondContact O-NH1 2.85Å; P119-W130 VanDerWaalsContact CD-CD2 3.48Å; P119-W130 VanDerWaalsContact CD-CE3 3.43Å; P119-W130 HydrophobicContact CG-CB 3.94Å; P119-W130 HydrophobicContact CG-CD2 3.59Å; P119-W130 HydrophobicContact CG-CE3 4.02Å; P119-W130 HydrophobicContact CG-CG 3.56Å
120P86.4Confident86.7Confident9 Ų975.9 Ų75.96%0.05838%0.378CS..  trans-54.6152.6163.8-2130.7000112V59 Y84 G122 V123 R124V59-P120 HydrophobicContact CG1-CB 4.32Å; V59-P120 HydrophobicContact CG1-CG 4.01Å; V59-P120 HydrophobicContact CG2-CG 4.34Å; Y84-P120 HydrophobicContact CD1-CG 4.05Å; Y84-P120 HydrophobicContact CD2-CG 3.64Å; Y84-P120 HydrophobicContact CE1-CG 4.2Å; Y84-P120 HydrophobicContact CE2-CG 3.83Å; Y84-P120 HydrophobicContact CG-CG 3.75Å; P120-G122 PolarHBondContact O-N 2.7Å; P120-V123 PolarHBondContact O-N 3.1Å; P120-R124 PolarHBondContact O-N 3.06Å
121E83.5Confident86.7Confident125 Ų12582.2 Ų82.258%0.58441%0.407SS*.Hα-helixtrans-50.7-47.2-174.4-171.8157.1-118.300114.1V123 R124 E125E121-V123 VanDerWaalsContact C-N 3.3Å; E121-V123 PolarHBondContact O-N 3.37Å; E121-R124 WeakPolarHBondContact O-CB 3.45Å; E121-R124 PolarHBondContact O-N 3.04Å; E121-R124 VanDerWaalsContact O-N 3.08Å; E121-R124 IonicContact OE1-NH2 2.66Å; E121-E125 PolarHBondContact O-N 2.83Å
122G81.8Confident86.6Confident22 Ų2278.7 Ų78.723%0.22741%0.409CS..Hα-helixtrans-67.3-20.5178.700000115.6Y87 P120 K126Y87-G122 WeakPolarHBondContact OH-CA 3.27Å; P120-G122 PolarHBondContact O-N 2.7Å; G122-K126 WeakPolarHBondContact O-CD 3.46Å; G122-K126 VanDerWaalsContact O-CG 3.31Å; G122-K126 WeakPolarHBondContact O-CG 3.26Å
123V84Confident86.6Confident0 Ų073 Ų730%038%0.383CS..Hα-helixtrans-78.9-44.1167.9179.10000109.5Y87 P119 P120 E121 E125 K126 H127Y87-V123 HydrophobicContact CD2-CG2 3.47Å; Y87-V123 VanDerWaalsContact CD2-CG2 3.47Å; Y87-V123 HydrophobicContact CE1-CG2 4.3Å; Y87-V123 HydrophobicContact CE2-CB 4.5Å; Y87-V123 HydrophobicContact CE2-CG2 3.13Å; Y87-V123 HydrophobicContact CG-CG2 4.23Å; Y87-V123 PolarHBondContact OH-N 2.81Å; P119-V123 HydrophobicContact CB-CB 3.88Å; P119-V123 HydrophobicContact CB-CG1 3.87Å; P120-V123 PolarHBondContact O-N 3.1Å; E121-V123 VanDerWaalsContact C-N 3.3Å; E121-V123 PolarHBondContact O-N 3.37Å; V123-E125 VanDerWaalsContact C-N 3.3Å; V123-E125 PolarHBondContact O-N 2.83Å; V123-K126 PolarHBondContact O-N 2.98Å; V123-K126 VanDerWaalsContact O-N 3.14Å; V123-H127 WeakPolarHBondContact O-CB 3.2Å; V123-H127 PolarHBondContact O-N 2.86Å
124R85.8Confident86.7Confident74 Ų7469.1 Ų69.128%0.27937%0.365SS..Hα-helixtrans-61.5-34.4180-176.4170.456.5-1216.8113E62 P119 P120 E121E62-R124 IonicContact OE1-CZ 3.21Å; E62-R124 IonicContact OE1-NH1 2.7Å; E62-R124 PolarHBondContact OE1-NH1 3.47Å; E62-R124 IonicContact OE1-NH2 3.84Å; E62-R124 PolarHBondContact OE1-NH2 3.14Å; E62-R124 IonicContact OE2-NH1 2.88Å; P119-R124 HydrophobicContact CG-CB 4.08Å; P119-R124 PolarHBondContact O-NH1 2.85Å; P120-R124 PolarHBondContact O-N 3.06Å; E121-R124 WeakPolarHBondContact O-CB 3.45Å; E121-R124 PolarHBondContact O-N 3.04Å; E121-R124 VanDerWaalsContact O-N 3.08Å; E121-R124 IonicContact OE1-NH2 2.66Å
125E83.8Confident86.8Confident157 Ų15770.8 Ų70.873%0.73435%0.354SS*.Hα-helixtrans-70.1-40172.9-71.7-169.9149.700112.8E121 V123E121-E125 PolarHBondContact O-N 2.83Å; V123-E125 VanDerWaalsContact C-N 3.3Å; V123-E125 PolarHBondContact O-N 2.83Å
126K84.4Confident86.7Confident100 Ų10072.8 Ų72.844%0.43536%0.363SS..Hα-helixtrans-75.3-33.6178.7-71.7175177.1179.60112.8D90 G122 V123D90-K126 IonicContact OD2-NZ 2.77Å; D90-K126 PolarHBondContact OD2-NZ 2.82Å; G122-K126 WeakPolarHBondContact O-CD 3.46Å; G122-K126 VanDerWaalsContact O-CG 3.31Å; G122-K126 WeakPolarHBondContact O-CG 3.26Å; V123-K126 PolarHBondContact O-N 2.98Å; V123-K126 VanDerWaalsContact O-N 3.14Å
127H85.8Confident86.6Confident55 Ų5569 Ų6926%0.25534%0.34SS..  trans-132.388.3-170.3-63.3-70.8000111.5G86 V123 E129 W130 M133G86-H127 PolarHBondContact O-CD2 3.13Å; G86-H127 PolarHBondContact O-NE2 3.2Å; V123-H127 WeakPolarHBondContact O-CB 3.2Å; V123-H127 PolarHBondContact O-N 2.86Å; H127-E129 PolarHBondContact O-N 3.39Å; H127-W130 WeakPolarHBondContact O-CB 3.37Å; H127-W130 PolarHBondContact O-N 3.19Å; H127-M133 HydrophobicContact CB-CE 4.08Å
128P82.1Confident86.4Confident108 Ų10869.1 Ų69.170%0.70134%0.341SS*.THydrogen-bonded Turntrans-66-23.5175.626.3-34.2000113.1W130P128-W130 VanDerWaalsContact C-N 3.31Å; P128-W130 PolarHBondContact O-N 3.23Å
129E87.8Confident86.1Confident160 Ų16069.7 Ų69.775%0.74836%0.361SS*.THydrogen-bonded Turntrans-94.232178.5-60.7-179.4174.400112.6H127 E131 A132H127-E129 PolarHBondContact O-N 3.39Å; E129-E131 PolarHBondContact O-N 3.3Å; E129-E131 VanDerWaalsContact O-N 3.08Å; E129-A132 PolarHBondContact O-N 3.14Å; E129-A132 VanDerWaalsContact O-N 3.1Å
130W86.9Confident85.9Confident52 Ų5272.5 Ų72.520%0.19737%0.374CS..Hα-helixtrans-57.6-22.8-175.759.4-93.7000114.8W68 P119 H127 P128 A132 M133 L134W68-W130 HydrophobicContact CH2-CB 4.21Å; W68-W130 HydrophobicContact CH2-CD2 4.46Å; W68-W130 AromaticContact CH2-CE3 3.7Å; W68-W130 HydrophobicContact CH2-CE3 3.7Å; W68-W130 HydrophobicContact CH2-CZ3 4.49Å; W68-W130 AromaticContact CZ3-CE3 3.7Å; W68-W130 HydrophobicContact CZ3-CE3 3.7Å; W68-W130 HydrophobicContact CZ3-CZ3 4.06Å; P119-W130 VanDerWaalsContact CD-CD2 3.48Å; P119-W130 VanDerWaalsContact CD-CE3 3.43Å; P119-W130 HydrophobicContact CG-CB 3.94Å; P119-W130 HydrophobicContact CG-CD2 3.59Å; P119-W130 HydrophobicContact CG-CE3 4.02Å; P119-W130 HydrophobicContact CG-CG 3.56Å; H127-W130 WeakPolarHBondContact O-CB 3.37Å; H127-W130 PolarHBondContact O-N 3.19Å; P128-W130 VanDerWaalsContact C-N 3.31Å; P128-W130 PolarHBondContact O-N 3.23Å; W130-A132 VanDerWaalsContact C-N 3.34Å; W130-A132 PolarHBondContact O-N 3.02Å; W130-M133 WeakPolarHBondContact O-CB 3.41Å; W130-M133 PolarHBondContact O-N 3.41Å; W130-L134 PolarHBondContact O-N 3.26Å
131E89.1Confident85.6Confident133 Ų13382.1 Ų82.162%0.62142%0.418SS*.Hα-helixtrans-61.7-41.3175.5-63.7-179.7160.500111.5E129 M133 L134 E135E129-E131 PolarHBondContact O-N 3.3Å; E129-E131 VanDerWaalsContact O-N 3.08Å; E131-M133 VanDerWaalsContact C-N 3.33Å; E131-M133 PolarHBondContact O-N 2.59Å; E131-L134 PolarHBondContact O-N 3.05Å; E131-E135 PolarHBondContact O-N 3.39Å; E131-E135 VanDerWaalsContact O-N 3.08Å
132A87.2Confident85.6Confident71 Ų7177.7 Ų77.759%0.58740%0.401SS*.Hα-helixtrans-70.8-30.2176.900000112.5E129 W130 K136E129-A132 PolarHBondContact O-N 3.14Å; E129-A132 VanDerWaalsContact O-N 3.1Å; W130-A132 VanDerWaalsContact C-N 3.34Å; W130-A132 PolarHBondContact O-N 3.02Å; A132-K136 PolarHBondContact O-N 2.84Å; A132-K136 VanDerWaalsContact O-N 3.15Å
133M88.3Confident85.9Confident36 Ų3679 Ų7918%0.17741%0.406CS..Hα-helixtrans-68.9-41.1172.4179.2-174.9-72.100111.5E85 G86 H127 W130 E131 K136 A137E85-M133 HydrophobicContact CG-CG 4.09Å; E85-M133 HydrophobicContact CG-SD 4.28Å; G86-M133 WeakPolarHBondContact CA-SD 3.18Å; H127-M133 HydrophobicContact CB-CE 4.08Å; W130-M133 WeakPolarHBondContact O-CB 3.41Å; W130-M133 PolarHBondContact O-N 3.41Å; E131-M133 VanDerWaalsContact C-N 3.33Å; E131-M133 PolarHBondContact O-N 2.59Å; M133-K136 PolarHBondContact O-N 2.9Å; M133-A137 WeakPolarHBondContact O-CB 3.31Å; M133-A137 PolarHBondContact O-N 3.45Å
134L89.1Confident86Confident14 Ų1479.1 Ų79.17%0.07341%0.407CS..Hα-helixtrans-61.6-49.6175.8179.463.8000111.4W68 V69 M117 W130 E131 K136 A137 L138W68-L134 HydrophobicContact CE3-CD1 4.3Å; W68-L134 HydrophobicContact CH2-CB 3.79Å; W68-L134 HydrophobicContact CH2-CD1 4.25Å; W68-L134 HydrophobicContact CH2-CG 4.44Å; W68-L134 HydrophobicContact CZ3-CB 4.03Å; W68-L134 HydrophobicContact CZ3-CD1 3.89Å; W68-L134 HydrophobicContact CZ3-CD2 4.04Å; W68-L134 HydrophobicContact CZ3-CG 4.2Å; V69-L134 HydrophobicContact CG2-CD1 3.76Å; M117-L134 HydrophobicContact CB-CD2 3.68Å; M117-L134 HydrophobicContact CE-CD1 3.72Å; M117-L134 HydrophobicContact CG-CD2 4.2Å; W130-L134 PolarHBondContact O-N 3.26Å; E131-L134 PolarHBondContact O-N 3.05Å; L134-K136 VanDerWaalsContact C-N 3.27Å; L134-K136 PolarHBondContact O-N 2.8Å; L134-A137 PolarHBondContact O-N 3.34Å; L134-A137 VanDerWaalsContact O-N 3.16Å; L134-L138 HydrophobicContact CD1-CD1 3.85Å; L134-L138 HydrophobicContact CD1-CG 3.94Å; L134-L138 HydrophobicContact CD2-CD1 4.42Å; L134-L138 HydrophobicContact CG-CD1 3.82Å; L134-L138 HydrophobicContact CG-CG 4.28Å; L134-L138 WeakPolarHBondContact O-CB 3.41Å; L134-L138 WeakPolarHBondContact O-CG 3.28Å; L134-L138 PolarHBondContact O-N 3.13Å
135E88.8Confident85.8Confident104 Ų10477.4 Ų77.449%0.48641%0.405SS..Hα-helixtrans-64.6-30.6179-66.3-59.5153.400112.5R111 E131 A139R111-E135 IonicContact CZ-OE1 2.73Å; R111-E135 IonicContact CZ-OE2 2.63Å; R111-E135 IonicContact NH2-OE1 3.65Å; R111-E135 PolarHBondContact NH2-OE1 2.85Å; R111-E135 IonicContact NH2-OE2 3.83Å; R111-E135 PolarHBondContact NH2-OE2 3.34Å; E131-E135 PolarHBondContact O-N 3.39Å; E131-E135 VanDerWaalsContact O-N 3.08Å; E135-A139 WeakPolarHBondContact O-CB 3.35Å; E135-A139 PolarHBondContact O-N 2.99Å
136K88.1Confident85.6Confident129 Ų12972 Ų7256%0.56139%0.388SS*.Hα-helixtrans-65.3-50.3169.3179.4177176.7-70.80111.5A132 M133 L134 L138 A139 E140A132-K136 PolarHBondContact O-N 2.84Å; A132-K136 VanDerWaalsContact O-N 3.15Å; M133-K136 PolarHBondContact O-N 2.9Å; L134-K136 VanDerWaalsContact C-N 3.27Å; L134-K136 PolarHBondContact O-N 2.8Å; K136-L138 VanDerWaalsContact C-N 3.35Å; K136-L138 PolarHBondContact O-N 2.94Å; K136-A139 PolarHBondContact O-N 3.33Å; K136-A139 VanDerWaalsContact O-N 3.08Å; K136-E140 IonicContact NZ-OE1 3.9Å; K136-E140 PolarHBondContact NZ-OE1 3.42Å; K136-E140 PolarHBondContact O-N 2.85Å
137A86.1Confident85Confident2 Ų268.6 Ų68.62%0.01738%0.377CS..Hα-helixtrans-67.6-33.4-176.600000113V69 E85 M133 L134 A139 E140V69-A137 HydrophobicContact CG1-CB 4.26Å; E85-A137 HydrophobicContact CG-CB 3.91Å; M133-A137 WeakPolarHBondContact O-CB 3.31Å; M133-A137 PolarHBondContact O-N 3.45Å; L134-A137 PolarHBondContact O-N 3.34Å; L134-A137 VanDerWaalsContact O-N 3.16Å; A137-A139 PolarHBondContact O-N 3.28Å; A137-E140 PolarHBondContact O-N 3.48Å
138L86.2Confident84.5Confident32 Ų3266.1 Ų66.117%0.16837%0.365CS..THydrogen-bonded Turntrans-74.2-8.3172.6-68178.2000113.7V69 L107 L134 K136V69-L138 HydrophobicContact CG2-CD2 4.17Å; L107-L138 HydrophobicContact CB-CD2 4.06Å; L107-L138 HydrophobicContact CD2-CD2 4.28Å; L134-L138 HydrophobicContact CD1-CD1 3.85Å; L134-L138 HydrophobicContact CD1-CG 3.94Å; L134-L138 HydrophobicContact CD2-CD1 4.42Å; L134-L138 HydrophobicContact CG-CD1 3.82Å; L134-L138 HydrophobicContact CG-CG 4.28Å; L134-L138 WeakPolarHBondContact O-CB 3.41Å; L134-L138 WeakPolarHBondContact O-CG 3.28Å; L134-L138 PolarHBondContact O-N 3.13Å; K136-L138 VanDerWaalsContact C-N 3.35Å; K136-L138 PolarHBondContact O-N 2.94Å
139A85.3Confident84.4Confident81 Ų8161 Ų6167%0.66933%0.332SS*.THydrogen-bonded Turntrans-1053.9175.900000113.3E135 K136 A137E135-A139 WeakPolarHBondContact O-CB 3.35Å; E135-A139 PolarHBondContact O-N 2.99Å; K136-A139 PolarHBondContact O-N 3.33Å; K136-A139 VanDerWaalsContact O-N 3.08Å; A137-A139 PolarHBondContact O-N 3.28Å
140E84.2Confident83.9Confident59 Ų5956.8 Ų56.828%0.27631%0.312SS..SBendtrans-92127176.8-74.2168.4179.800110.7K54 K136 A137 C142K54-E140 WeakPolarHBondContact CE-OE2 3.37Å; K54-E140 IonicContact NZ-OE2 3.19Å; K54-E140 PolarHBondContact NZ-OE2 3.2Å; K136-E140 IonicContact NZ-OE1 3.9Å; K136-E140 PolarHBondContact NZ-OE1 3.42Å; K136-E140 PolarHBondContact O-N 2.85Å; A137-E140 PolarHBondContact O-N 3.48Å; E140-C142 PolarHBondContact O-N 2.85Å
141E79.3Confident82.8Confident211 Ų21161.1 Ų61.199%0.98634%0.336SS*.SBendtrans-73.260.8-180-63.8-177.9165.700112.1
142C83.4Confident81.5Confident32 Ų3259.3 Ų59.322%0.21634%0.336CS..  trans-13914.7-17563.90000113.5M53 K54 E140 A144M53-C142 CarbonylContact C-O 3.59Å; M53-C142 VanDerWaalsContact CA-O 3.28Å; M53-C142 WeakPolarHBondContact CA-O 3.3Å; K54-C142 VanDerWaalsContact CD-SG 3.59Å; K54-C142 PolarHBondContact N-O 3.25Å; E140-C142 PolarHBondContact O-N 2.85Å; C142-A144 PolarHBondContact O-N 3.12Å
143S88.3Confident80.5Confident49 Ų4957.3 Ų57.334%0.34332%0.315SS..BIsolated β-bridgetrans-58.1136.4177-172.90000111.3K54 L107K54-S143 CarbonylContact O-C 3.51Å; K54-S143 VanDerWaalsContact O-CA 3.31Å; K54-S143 WeakPolarHBondContact O-CA 3.43Å; L107-S143 PolarHBondContact N-OG 2.89Å
144A85.4Confident79.8Confident2 Ų256.8 Ų56.82%0.01731%0.311CS..PPolyproline II helixtrans-58.5145.5162.300000110.3L49 M53 K54 L55 C142 L149L49-A144 HydrophobicContact CD2-CB 3.79Å; M53-A144 HydrophobicContact CB-CB 4.37Å; M53-A144 HydrophobicContact SD-CB 4.37Å; K54-A144 PolarHBondContact O-N 2.93Å; L55-A144 HydrophobicContact CB-CB 4.15Å; L55-A144 HydrophobicContact CD2-CB 4.31Å; C142-A144 PolarHBondContact O-N 3.12Å; A144-L149 HydrophobicContact CB-CD1 3.83Å; A144-L149 HydrophobicContact CB-CG 4.44Å
145P81.6Confident78.5Confident38 Ų3856.2 Ų56.225%0.24731%0.308CS..PPolyproline II helixtrans-61.4139.5177.1-2535.2000113.1S147 L148P145-S147 VanDerWaalsContact C-N 3.33Å; P145-S147 PolarHBondContact O-N 3.03Å; P145-L148 HydrophobicContact CB-CD1 4.14Å; P145-L148 HydrophobicContact CB-CG 4.21Å; P145-L148 HydrophobicContact CG-CD1 3.9Å; P145-L148 PolarHBondContact O-N 3.04Å
146A80.2Confident77.6Confident44 Ų4455.2 Ų55.236%0.36430%0.3SS..Hα-helixtrans-62.1-39.9177.500000112.3P106 L148 L149 E150P106-A146 HydrophobicContact CB-CB 4.31Å; P106-A146 HydrophobicContact CG-CB 3.87Å; A146-L148 VanDerWaalsContact C-N 3.3Å; A146-L148 PolarHBondContact O-N 3.21Å; A146-L149 PolarHBondContact O-N 3.4Å; A146-L149 VanDerWaalsContact O-N 3.09Å; A146-E150 WeakPolarHBondContact O-CB 3.25Å; A146-E150 PolarHBondContact O-N 3.42Å
147S72.5Confident76.7Confident29 Ų2950.4 Ų50.420%0.20328%0.281CS..Hα-helixtrans-53.9-41.717845.60000113.6P145 L149 Q153 R154P145-S147 VanDerWaalsContact C-N 3.33Å; P145-S147 PolarHBondContact O-N 3.03Å; S147-L149 VanDerWaalsContact C-N 3.31Å; S147-L149 PolarHBondContact O-N 3.09Å; S147-Q153 CarbonylContact O-C 3.49Å; S147-Q153 WeakPolarHBondContact O-CB 3.5Å; S147-R154 PolarHBondContact O-N 2.9Å
148L74.8Confident75.9Confident3 Ų350.5 Ų50.52%0.01628%0.281CS..Hα-helixtrans-79-13.1-177.8-59.2176.1000113.2L49 P145 A146 R154 G155 E265L49-L148 HydrophobicContact CD2-CB 4.11Å; L49-L148 HydrophobicContact CD2-CD1 3.85Å; L49-L148 HydrophobicContact CG-CB 4.24Å; L49-L148 HydrophobicContact CG-CD1 3.99Å; P145-L148 HydrophobicContact CB-CD1 4.14Å; P145-L148 HydrophobicContact CB-CG 4.21Å; P145-L148 HydrophobicContact CG-CD1 3.9Å; P145-L148 PolarHBondContact O-N 3.04Å; A146-L148 VanDerWaalsContact C-N 3.3Å; A146-L148 PolarHBondContact O-N 3.21Å; L148-R154 WeakPolarHBondContact O-CA 3.47Å; L148-G155 PolarHBondContact O-N 3.04Å; L148-E265 HydrophobicContact CD2-CG 4.43Å
149L79.1Confident75.5Confident0 Ų049.8 Ų49.80%028%0.278CS..Hα-helixtrans-111.4-24.8-178.7-61.3-175.8000113.9L49 L55 L104 A144 A146 S147 R154L49-L149 HydrophobicContact CD1-CD2 4.14Å; L55-L149 HydrophobicContact CB-CD1 3.82Å; L55-L149 HydrophobicContact CD2-CD1 3.83Å; L55-L149 HydrophobicContact CD2-CD2 3.9Å; L55-L149 HydrophobicContact CG-CD1 4.49Å; L104-L149 HydrophobicContact CB-CD1 4.49Å; L104-L149 HydrophobicContact CB-CD2 4.05Å; L104-L149 HydrophobicContact CD1-CD2 4.15Å; A144-L149 HydrophobicContact CB-CD1 3.83Å; A144-L149 HydrophobicContact CB-CG 4.44Å; A146-L149 PolarHBondContact O-N 3.4Å; A146-L149 VanDerWaalsContact O-N 3.09Å; S147-L149 VanDerWaalsContact C-N 3.31Å; S147-L149 PolarHBondContact O-N 3.09Å; L149-R154 VanDerWaalsContact O-CZ 3.24Å; L149-R154 PolarHBondContact O-NE 3.18Å; L149-R154 PolarHBondContact O-NH2 3.48Å
150E77.3Confident75.1Confident71 Ų7150.1 Ų50.133%0.33227%0.265SS..SBendtrans-104.7153.7-177.6-62.9-167.5-178.700112.8W109 A146 Q153 R154W109-E150 PolarHBondContact NE1-OE1 3Å; A146-E150 WeakPolarHBondContact O-CB 3.25Å; A146-E150 PolarHBondContact O-N 3.42Å; E150-Q153 PolarHBondContact O-N 3.26Å; E150-R154 WeakPolarHBondContact O-CB 3.34Å; E150-R154 PolarHBondContact O-N 2.85Å
151M64.1Low74.8Confident143 Ų14347.8 Ų47.870%0.70426%0.255SS*.THydrogen-bonded Turntrans-73.6138.9178.2-65.8-64.8-69.900110R154M151-R154 HydrophobicContact SD-CB 3.87Å; M151-R154 HydrophobicContact SD-CG 4.4Å
152P63.4Low75.1Confident96 Ų9637.8 Ų37.862%0.62321%0.208SC*.THydrogen-bonded Turncis-101.4-0.820.337.9-35.8000116R156P152-R156 PolarHBondContact O-NE 3.09Å
153Q64.9Low75.1Confident28 Ų2839.3 Ų39.313%0.13122%0.216CC..THydrogen-bonded Turntrans-98.4-11-171.5-68-178.60.200114.2S147 E150 G155 R156 L161 D259S147-Q153 CarbonylContact O-C 3.49Å; S147-Q153 WeakPolarHBondContact O-CB 3.5Å; E150-Q153 PolarHBondContact O-N 3.26Å; Q153-G155 PolarHBondContact O-N 2.93Å; Q153-R156 VanDerWaalsContact O-CB 3.29Å; Q153-R156 WeakPolarHBondContact O-CB 3.39Å; Q153-R156 WeakPolarHBondContact O-CG 3.34Å; Q153-R156 PolarHBondContact O-N 3.48Å; Q153-R156 VanDerWaalsContact O-N 3.1Å; Q153-L161 HydrophobicContact CB-CD2 3.88Å; Q153-L161 HydrophobicContact CG-CD2 3.6Å; Q153-D259 PolarHBondContact NE2-OD1 2.9Å
154R72.9Confident75.1Confident26 Ų2640.3 Ų40.310%0.09823%0.228CC..THydrogen-bonded Turntrans-26119168.6172.3176.3-82-138.6-11113.7I99 M100 A102 L104 S147 L148 L149 E150 M151 R156I99-R154 HydrophobicContact CG2-CG 3.84Å; I99-R154 VanDerWaalsContact O-CD 3.26Å; I99-R154 WeakPolarHBondContact O-CD 3.44Å; I99-R154 PolarHBondContact O-NH1 3.4Å; M100-R154 WeakPolarHBondContact CE-O 3.2Å; M100-R154 PolarHBondContact O-NH1 3.11Å; M100-R154 VanDerWaalsContact O-NH1 3.15Å; M100-R154 HydrophobicContact SD-CG 4.2Å; M100-R154 VanDerWaalsContact SD-O 3.34Å; A102-R154 PolarHBondContact O-NH1 2.94Å; L104-R154 PolarHBondContact O-NH2 3.06Å; S147-R154 PolarHBondContact O-N 2.9Å; L148-R154 WeakPolarHBondContact O-CA 3.47Å; L149-R154 VanDerWaalsContact O-CZ 3.24Å; L149-R154 PolarHBondContact O-NE 3.18Å; L149-R154 PolarHBondContact O-NH2 3.48Å; E150-R154 WeakPolarHBondContact O-CB 3.34Å; E150-R154 PolarHBondContact O-N 2.85Å; M151-R154 HydrophobicContact SD-CB 3.87Å; M151-R154 HydrophobicContact SD-CG 4.4Å; R154-R156 PolarHBondContact O-N 3.17Å; R154-R156 VanDerWaalsContact O-N 3.16Å
155G62.8Low75.2Confident2 Ų242 Ų422%0.02125%0.245CC..THydrogen-bonded Turntrans68.83.2170.100000116.7L148 Q153L148-G155 PolarHBondContact O-N 3.04Å; Q153-G155 PolarHBondContact O-N 2.93Å
156R69Low75.5Confident82 Ų8241.4 Ų41.431%0.30924%0.242SC..  trans-72.2147.4170.8-65-176.2-175.8-127.41.7110.7P152 Q153 R154 E160 L161P152-R156 PolarHBondContact O-NE 3.09Å; Q153-R156 VanDerWaalsContact O-CB 3.29Å; Q153-R156 WeakPolarHBondContact O-CB 3.39Å; Q153-R156 WeakPolarHBondContact O-CG 3.34Å; Q153-R156 PolarHBondContact O-N 3.48Å; Q153-R156 VanDerWaalsContact O-N 3.1Å; R154-R156 PolarHBondContact O-N 3.17Å; R154-R156 VanDerWaalsContact O-N 3.16Å; R156-E160 HydrophobicContact CB-CB 3.78Å; R156-E160 HydrophobicContact CG-CB 3.95Å; R156-E160 PolarHBondContact NH1-O 3.46Å; R156-L161 HydrophobicContact CB-CD2 4.1Å
157D69.8Low76Confident29 Ų2942.3 Ų42.316%0.15524%0.236CC..  trans-84.2168.3161.455.753.7000110.9T47 V159 E160 L161T47-D157 HydrophobicContact CG2-CB 4.4Å; D157-V159 PolarHBondContact O-N 3.31Å; D157-V159 VanDerWaalsContact O-N 3.13Å; D157-V159 WeakPolarHBondContact OD1-CA 3.2Å; D157-V159 VanDerWaalsContact OD1-CB 3.3Å; D157-V159 WeakPolarHBondContact OD1-CB 3.38Å; D157-V159 PolarHBondContact OD1-N 3.19Å; D157-V159 VanDerWaalsContact OD1-N 3.08Å; D157-E160 PolarHBondContact O-N 2.94Å; D157-E160 VanDerWaalsContact O-N 3.1Å; D157-E160 PolarHBondContact OD1-N 2.89Å; D157-L161 PolarHBondContact O-N 3.17Å
158P70.7Confident77Confident3 Ų341 Ų412%0.01923%0.227CC..Hα-helixtrans-57.8-24.3178.5-27.636.2000114.3Q46 Y213 E265Q46-P158 WeakPolarHBondContact O-CD 3.33Å; P158-Y213 HydrophobicContact CB-CD2 4.46Å; P158-Y213 HydrophobicContact CB-CE2 3.8Å; P158-E265 HydrophobicContact CG-CB 4.38Å
159V76.9Confident77.9Confident17 Ų1741.4 Ų41.410%0.10323%0.229CC..Hα-helixtrans-72.8-44.9175.3174.10000110.5D157 L161 L162 N187 Y213D157-V159 PolarHBondContact O-N 3.31Å; D157-V159 VanDerWaalsContact O-N 3.13Å; D157-V159 WeakPolarHBondContact OD1-CA 3.2Å; D157-V159 VanDerWaalsContact OD1-CB 3.3Å; D157-V159 WeakPolarHBondContact OD1-CB 3.38Å; D157-V159 PolarHBondContact OD1-N 3.19Å; D157-V159 VanDerWaalsContact OD1-N 3.08Å; V159-L161 PolarHBondContact O-N 3.48Å; V159-L162 PolarHBondContact O-N 2.88Å; V159-L162 VanDerWaalsContact O-N 3.16Å; V159-N187 PolarHBondContact O-ND2 3.04Å; V159-Y213 HydrophobicContact CG2-CD1 3.65Å; V159-Y213 HydrophobicContact CG2-CE1 3.55Å; V159-Y213 HydrophobicContact CG2-CG 4.35Å
160E76.3Confident78.6Confident88 Ų8841.8 Ų41.841%0.41123%0.231SC..Hα-helixtrans-66.9-13.4176.3-77.7-163.8157.500114R156 D157R156-E160 HydrophobicContact CB-CB 3.78Å; R156-E160 HydrophobicContact CG-CB 3.95Å; R156-E160 PolarHBondContact NH1-O 3.46Å; D157-E160 PolarHBondContact O-N 2.94Å; D157-E160 VanDerWaalsContact O-N 3.1Å; D157-E160 PolarHBondContact OD1-N 2.89Å
161L78.3Confident79.4Confident11 Ų1138.7 Ų38.76%0.05822%0.217CC..Hα-helixtrans-76.4-35.7170.1-62.5-179.2000112.7Q153 R156 D157 V159 T163 L262 E265Q153-L161 HydrophobicContact CB-CD2 3.88Å; Q153-L161 HydrophobicContact CG-CD2 3.6Å; R156-L161 HydrophobicContact CB-CD2 4.1Å; D157-L161 PolarHBondContact O-N 3.17Å; V159-L161 PolarHBondContact O-N 3.48Å; L161-T163 VanDerWaalsContact C-N 3.26Å; L161-T163 PolarHBondContact O-N 3.36Å; L161-L262 HydrophobicContact CB-CD1 3.84Å; L161-E265 HydrophobicContact CD1-CB 4.07Å; L161-E265 HydrophobicContact CD1-CG 4.11Å
162L84.6Confident80.6Confident0 Ų033.6 Ų33.60%019%0.192CC..SBendtrans-80.667.2-176.8-74.5161.3000111.8V159 V168 N187 L192 Y213 L262 L266V159-L162 PolarHBondContact O-N 2.88Å; V159-L162 VanDerWaalsContact O-N 3.16Å; L162-V168 HydrophobicContact CD2-CG1 3.93Å; L162-N187 WeakPolarHBondContact O-CB 3.25Å; L162-N187 PolarHBondContact O-ND2 3.35Å; L162-L192 HydrophobicContact CB-CD2 4.15Å; L162-L192 HydrophobicContact CD1-CD1 4.1Å; L162-L192 HydrophobicContact CD1-CD2 4.36Å; L162-Y213 HydrophobicContact CD1-CD2 4.28Å; L162-Y213 HydrophobicContact CD1-CG 4.26Å; L162-L262 HydrophobicContact CD2-CD1 3.89Å; L162-L262 HydrophobicContact CG-CD1 4.02Å; L162-L266 HydrophobicContact CD1-CD1 4.22Å; L162-L266 HydrophobicContact CG-CD1 4.41Å
163T84.3Confident81.8Confident64 Ų6429.8 Ų29.839%0.39317%0.171SC..  trans-79.6160.6179.9660000113.1L161 G165 C166L161-T163 VanDerWaalsContact C-N 3.26Å; L161-T163 PolarHBondContact O-N 3.36Å; T163-G165 PolarHBondContact O-N 3.41Å; T163-C166 WeakPolarHBondContact O-CB 3.44Å; T163-C166 PolarHBondContact O-N 3.49Å; T163-C166 PolarHBondContact O-SG 2.7Å; T163-C166 PolarHBondContact OG1-SG 3.22Å
164A87.9Confident83Confident70 Ų7030.8 Ų30.858%0.57918%0.178SC*.THydrogen-bonded Turntrans-61.7130.7176.200000111.4V184 E185A164-V184 CarbonylContact C-O 3.55Å; A164-V184 VanDerWaalsContact CA-O 3.28Å; A164-V184 WeakPolarHBondContact CA-O 3.24Å; A164-E185 WeakPolarHBondContact CB-O 3.32Å
165G87.9Confident83.8Confident37 Ų3732.2 Ų32.238%0.38119%0.188SC..THydrogen-bonded Turntrans89.7-1.9-171.100000115T163 V184T163-G165 PolarHBondContact O-N 3.41Å; G165-V184 PolarHBondContact N-O 2.79Å
166C89Confident85.2Confident27 Ų2732.4 Ų32.418%0.18219%0.189CC..  trans-68.9150.2164.2-69.70000110.5T163 V184T163-C166 WeakPolarHBondContact O-CB 3.44Å; T163-C166 PolarHBondContact O-N 3.49Å; T163-C166 PolarHBondContact O-SG 2.7Å; T163-C166 PolarHBondContact OG1-SG 3.22Å; C166-V184 HydrophobicContact CB-CG2 4.23Å; C166-V184 PolarHBondContact O-N 3.11Å
167Y90.6Very high86.3Confident62 Ų6235.1 Ų35.124%0.24320%0.199CC..EExtended strand (participates in β ladder)trans-108.2147176.3-59.8-78.7000111A182 E183 L197 P221 R252 L256Y167-A182 WeakPolarHBondContact CA-O 3.23Å; Y167-E183 HydrophobicContact CD1-CB 3.98Å; Y167-E183 HydrophobicContact CD1-CG 4.06Å; Y167-E183 HydrophobicContact CE1-CB 3.98Å; Y167-E183 HydrophobicContact CE1-CG 3.8Å; Y167-E183 WeakPolarHBondContact CE1-OE2 3.42Å; Y167-L197 HydrophobicContact CD1-CD1 4.03Å; Y167-L197 HydrophobicContact CD1-CD2 4.08Å; Y167-L197 HydrophobicContact CE1-CD1 4.35Å; Y167-L197 HydrophobicContact CE1-CD2 3.8Å; Y167-P221 VanDerWaalsContact O-CG 3.31Å; Y167-P221 WeakPolarHBondContact O-CG 3.34Å; Y167-R252 PolarHBondContact OH-NH2 2.95Å; Y167-R252 VanDerWaalsContact OH-NH2 3.12Å; Y167-L256 HydrophobicContact CD1-CD1 4.02Å; Y167-L256 HydrophobicContact CD1-CD2 4.35Å; Y167-L256 HydrophobicContact CD2-CD1 4.16Å; Y167-L256 HydrophobicContact CD2-CD2 3.69Å; Y167-L256 HydrophobicContact CD2-CG 4.49Å; Y167-L256 HydrophobicContact CE1-CD2 4.31Å; Y167-L256 HydrophobicContact CE2-CD2 3.65Å; Y167-L256 HydrophobicContact CG-CD1 3.71Å; Y167-L256 HydrophobicContact CG-CD2 4.04Å
168V92.4Very high87.4Confident2 Ų234.4 Ų34.41%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-139.3159.4176.9-64.50000109.9L162 L170 G181 A182 L194 L218L162-V168 HydrophobicContact CD2-CG1 3.93Å; V168-L170 HydrophobicContact CG2-CD2 4.46Å; V168-G181 WeakPolarHBondContact O-CA 3.49Å; V168-A182 HydrophobicContact CG2-CB 4.18Å; V168-A182 PolarHBondContact N-O 3Å; V168-A182 PolarHBondContact O-N 3.14Å; V168-L194 HydrophobicContact CG2-CD1 4.21Å; V168-L194 HydrophobicContact CG2-CD2 4.11Å; V168-L218 HydrophobicContact CB-CD2 4.39Å; V168-L218 HydrophobicContact CB-CG 4.44Å; V168-L218 HydrophobicContact CG1-CD2 4.16Å; V168-L218 HydrophobicContact CG2-CG 4.45Å
169E93.4Very high88.6Confident12 Ų1234.3 Ų34.36%0.05620%0.196CC..EExtended strand (participates in β ladder)trans-106.5133.6172.9-72.2177.7-170.400110.1H219 G222 W223 A224E169-H219 PolarHBondContact N-O 3.19Å; E169-H219 PolarHBondContact O-N 2.99Å; E169-G222 PolarHBondContact OE1-N 3.44Å; E169-W223 PolarHBondContact OE2-N 3.28Å; E169-A224 WeakPolarHBondContact OE2-CB 3.41Å; E169-A224 PolarHBondContact OE2-N 2.93Å
170L94.1Very high89.4Confident7 Ų733.7 Ų33.74%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-111116.6-179.2-62.6-179.7000109.6V168 A179 W180 A182 L194 L196 L209 L211 R217 L218V168-L170 HydrophobicContact CG2-CD2 4.46Å; L170-A179 CarbonylContact O-C 3.51Å; L170-A179 WeakPolarHBondContact O-CA 3.28Å; L170-A179 WeakPolarHBondContact O-CB 3.41Å; L170-W180 PolarHBondContact N-O 2.76Å; L170-W180 PolarHBondContact O-N 2.67Å; L170-A182 HydrophobicContact CD1-CB 3.78Å; L170-A182 HydrophobicContact CG-CB 4.17Å; L170-L194 HydrophobicContact CD1-CD1 4.03Å; L170-L194 HydrophobicContact CD2-CD1 3.87Å; L170-L194 HydrophobicContact CG-CD1 4.45Å; L170-L196 HydrophobicContact CD1-CD2 4.14Å; L170-L209 HydrophobicContact CD1-CD1 3.96Å; L170-L209 HydrophobicContact CD1-CD2 3.93Å; L170-L209 HydrophobicContact CD1-CG 4.42Å; L170-L211 HydrophobicContact CD2-CD1 3.93Å; L170-R217 CarbonylContact C-O 3.58Å; L170-R217 VanDerWaalsContact CA-O 3.29Å; L170-R217 WeakPolarHBondContact CA-O 3.49Å; L170-L218 HydrophobicContact CD2-CB 4.05Å; L170-L218 HydrophobicContact CD2-CD1 4.28Å; L170-L218 HydrophobicContact CD2-CG 4.01Å
171Q93.1Very high90.3Very high7 Ų729.5 Ų29.53%0.03317%0.172CC..EExtended strand (participates in β ladder)trans-59.3144.5167.5-169.7-177.748.500109.2P176 R217 W223Q171-P176 PolarHBondContact NE2-O 3.32Å; Q171-R217 HydrophobicContact CB-CB 4.19Å; Q171-R217 HydrophobicContact CB-CG 4.39Å; Q171-R217 PolarHBondContact N-O 3.35Å; Q171-R217 PolarHBondContact O-NE 2.99Å; Q171-R217 PolarHBondContact O-NH2 3.47Å; Q171-W223 HydrophobicContact CB-CH2 4.15Å; Q171-W223 HydrophobicContact CB-CZ3 4.25Å; Q171-W223 HydrophobicContact CG-CH2 4.12Å
172D91.1Very high91.1Very high35 Ų3529 Ų2919%0.18717%0.17CC..  trans-65.7157.8176.6-179.6-112.5000112.5V174 D175 S178 R217D172-V174 VanDerWaalsContact C-N 3.32Å; D172-V174 WeakPolarHBondContact OD1-CA 3.19Å; D172-V174 WeakPolarHBondContact OD1-CB 3.41Å; D172-V174 PolarHBondContact OD1-N 3.46Å; D172-D175 PolarHBondContact OD1-N 3.02Å; D172-S178 PolarHBondContact N-O 3.36Å; D172-R217 PolarHBondContact O-NE 3.07Å
173G88.4Confident91.5Very high17 Ų1731.8 Ų31.818%0.17518%0.183CC..SBendtrans-79.8-10.6-179.600000114.7L330G173-L330 WeakPolarHBondContact O-CB 3.07Å; G173-L330 PolarHBondContact O-N 2.8Å
174V90.1Very high92Very high48 Ų4828.7 Ų28.729%0.29116%0.164SC..SBendtrans-129.9-37.9-171.51790000111.9D172 F304 L310D172-V174 VanDerWaalsContact C-N 3.32Å; D172-V174 WeakPolarHBondContact OD1-CA 3.19Å; D172-V174 WeakPolarHBondContact OD1-CB 3.41Å; D172-V174 PolarHBondContact OD1-N 3.46Å; V174-F304 VanDerWaalsContact O-CZ 3.25Å; V174-F304 WeakPolarHBondContact O-CZ 3.12Å; V174-L310 HydrophobicContact CB-CD1 4.43Å; V174-L310 HydrophobicContact CG1-CD1 3.87Å; V174-L310 HydrophobicContact CG1-CD2 4.05Å
175D90.3Very high92.3Very high56 Ų5628.7 Ų28.730%0.29915%0.152SC..  trans-113.4109.6177.4-165.4-19.3000112D172 R177 S178 F304D172-D175 PolarHBondContact OD1-N 3.02Å; D175-R177 PolarHBondContact O-N 2.93Å; D175-R177 WeakPolarHBondContact OD1-CB 3.12Å; D175-R177 PolarHBondContact OD1-N 3.36Å; D175-S178 PolarHBondContact O-N 2.98Å; D175-F304 WeakPolarHBondContact OD1-CE1 3.42Å
176P91.3Very high92.5Very high7 Ų731 Ų315%0.04515%0.153CC..THydrogen-bonded Turntrans-63.1-14.8179.827.3-32.4000113.1Q171 F304 Y308 L330Q171-P176 PolarHBondContact NE2-O 3.32Å; P176-F304 HydrophobicContact CG-CB 3.91Å; P176-F304 HydrophobicContact CG-CD1 3.69Å; P176-F304 HydrophobicContact CG-CD2 3.84Å; P176-F304 HydrophobicContact CG-CE1 4.04Å; P176-F304 HydrophobicContact CG-CE2 4.19Å; P176-F304 HydrophobicContact CG-CG 3.57Å; P176-F304 HydrophobicContact CG-CZ 4.29Å; P176-Y308 HydrophobicContact CB-CD1 4.34Å; P176-Y308 HydrophobicContact CB-CD2 3.97Å; P176-Y308 HydrophobicContact CB-CE2 4.46Å; P176-Y308 HydrophobicContact CB-CG 3.9Å; P176-Y308 HydrophobicContact CG-CD2 4.5Å; P176-Y308 HydrophobicContact CG-CG 4.26Å; P176-L330 HydrophobicContact CB-CD1 4.07Å; P176-L330 HydrophobicContact CB-CD2 3.77Å; P176-L330 HydrophobicContact CG-CD1 3.98Å
177R91.7Very high92.6Very high139 Ų13931.6 Ų31.653%0.52515%0.154SC..THydrogen-bonded Turntrans-96.910.8179-51.1-174.4-176.3-158.12.1112.7D175 C229 T230 F304D175-R177 PolarHBondContact O-N 2.93Å; D175-R177 WeakPolarHBondContact OD1-CB 3.12Å; D175-R177 PolarHBondContact OD1-N 3.36Å; R177-C229 CarbonylContact O-C 3.51Å; R177-C229 VanDerWaalsContact O-CA 3.27Å; R177-C229 WeakPolarHBondContact O-CA 3.36Å; R177-T230 PolarHBondContact O-N 3.21Å; R177-F304 PolarHBondContact NH2-O 2.77Å
178S93.3Very high92.4Very high13 Ų1329.5 Ų29.59%0.09115%0.148CC..EExtended strand (participates in β ladder)trans-121.5143.7176.5-169.20000110.1D172 D175 T230D172-S178 PolarHBondContact N-O 3.36Å; D175-S178 PolarHBondContact O-N 2.98Å; S178-T230 WeakPolarHBondContact CA-O 3.44Å
179A94.8Very high91.8Very high1 Ų130.5 Ų30.51%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-147.9162.9177.200000111.9L170 W223 A224 C229 T230 L231 R232L170-A179 CarbonylContact O-C 3.51Å; L170-A179 WeakPolarHBondContact O-CA 3.28Å; L170-A179 WeakPolarHBondContact O-CB 3.41Å; A179-W223 HydrophobicContact CB-CZ3 4.34Å; A179-A224 HydrophobicContact CB-CB 3.8Å; A179-C229 HydrophobicContact CB-CB 4.47Å; A179-T230 PolarHBondContact N-O 2.99Å; A179-L231 CarbonylContact O-C 3.56Å; A179-L231 VanDerWaalsContact O-CA 3.3Å; A179-L231 WeakPolarHBondContact O-CA 3.47Å; A179-R232 PolarHBondContact O-N 2.94Å
180W95.3Very high91.5Very high4 Ų429.9 Ų29.92%0.01516%0.155CC..EExtended strand (participates in β ladder)trans-141.8147.3171.5-161.1-115.9000112.7L170 L197 L231 P233 W246 V249 R250 I253L170-W180 PolarHBondContact N-O 2.76Å; L170-W180 PolarHBondContact O-N 2.67Å; W180-L197 PolarHBondContact NE1-O 2.91Å; W180-L231 HydrophobicContact CE3-CB 4.42Å; W180-L231 HydrophobicContact CZ3-CB 4.34Å; W180-P233 HydrophobicContact CD2-CB 4.08Å; W180-P233 HydrophobicContact CE3-CB 4.38Å; W180-P233 VanDerWaalsContact CE3-N 3.27Å; W180-P233 HydrophobicContact CH2-CB 4.12Å; W180-P233 HydrophobicContact CH2-CG 4.22Å; W180-P233 HydrophobicContact CZ2-CB 3.86Å; W180-P233 HydrophobicContact CZ2-CG 4.4Å; W180-P233 HydrophobicContact CZ3-CB 4.39Å; W180-P233 VanDerWaalsContact CZ3-CD 3.5Å; W180-P233 HydrophobicContact CZ3-CG 4.47Å; W180-W246 AromaticContact CH2-CE3 3.97Å; W180-W246 HydrophobicContact CH2-CE3 3.97Å; W180-W246 AromaticContact CZ2-CE3 3.57Å; W180-W246 HydrophobicContact CZ2-CE3 3.57Å; W180-W246 AromaticContact CZ2-CZ3 3.7Å; W180-W246 HydrophobicContact CZ2-CZ3 3.7Å; W180-V249 HydrophobicContact CH2-CB 4.4Å; W180-V249 HydrophobicContact CH2-CG1 4.07Å; W180-V249 HydrophobicContact CZ2-CB 4.18Å; W180-V249 HydrophobicContact CZ2-CG1 3.5Å; W180-V249 VanDerWaalsContact CZ2-CG1 3.5Å; W180-R250 HydrophobicContact CH2-CG 3.61Å; W180-R250 HydrophobicContact CZ3-CG 3.45Å; W180-R250 VanDerWaalsContact CZ3-CG 3.45Å; W180-I253 HydrophobicContact CD2-CD1 4.04Å; W180-I253 HydrophobicContact CE3-CD1 4.04Å; W180-I253 HydrophobicContact CH2-CD1 4.12Å; W180-I253 HydrophobicContact CZ2-CD1 4.05Å; W180-I253 HydrophobicContact CZ3-CD1 4.1Å
181G94.4Very high91.5Very high1 Ų129.7 Ų29.71%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-76.3143175.200000112.5V168 L197V168-G181 WeakPolarHBondContact O-CA 3.49Å; G181-L197 WeakPolarHBondContact O-CB 3.49Å; G181-L197 WeakPolarHBondContact O-CG 3.47Å; G181-L197 PolarHBondContact O-N 3.02Å
182A95.1Very high91.6Very high0 Ų029.4 Ų29.40%015%0.153CC..EExtended strand (participates in β ladder)trans-134.4155.2174.600000111.4Y167 V168 L170 L194 R195 L196Y167-A182 WeakPolarHBondContact CA-O 3.23Å; V168-A182 HydrophobicContact CG2-CB 4.18Å; V168-A182 PolarHBondContact N-O 3Å; V168-A182 PolarHBondContact O-N 3.14Å; L170-A182 HydrophobicContact CD1-CB 3.78Å; L170-A182 HydrophobicContact CG-CB 4.17Å; A182-L194 HydrophobicContact CB-CB 4.23Å; A182-R195 CarbonylContact C-O 3.6Å; A182-R195 VanDerWaalsContact CA-O 3.23Å; A182-R195 WeakPolarHBondContact CA-O 3.44Å; A182-R195 WeakPolarHBondContact CB-O 3.43Å; A182-L196 HydrophobicContact CB-CD2 4.5Å
183E93.9Very high91.8Very high58 Ų5828.9 Ų28.927%0.27115%0.149SC..EExtended strand (participates in β ladder)trans-107.7136.1174.2-168175.8145.900109.4Y167 E185 L194 R195 L197 R252Y167-E183 HydrophobicContact CD1-CB 3.98Å; Y167-E183 HydrophobicContact CD1-CG 4.06Å; Y167-E183 HydrophobicContact CE1-CB 3.98Å; Y167-E183 HydrophobicContact CE1-CG 3.8Å; Y167-E183 WeakPolarHBondContact CE1-OE2 3.42Å; E183-E185 PolarHBondContact O-N 3.34Å; E183-L194 CarbonylContact O-C 3.47Å; E183-L194 WeakPolarHBondContact O-CA 3.26Å; E183-R195 PolarHBondContact N-O 3.27Å; E183-R195 PolarHBondContact O-N 3.5Å; E183-L197 HydrophobicContact CB-CD2 4.06Å; E183-R252 IonicContact OE2-NH2 3.73Å
184V94.6Very high92.1Very high0 Ų028.1 Ų28.10%014%0.14CC..EExtended strand (participates in β ladder)trans-74.7111173.8-178.30000108.5A164 G165 C166 N187 L194A164-V184 CarbonylContact C-O 3.55Å; A164-V184 VanDerWaalsContact CA-O 3.28Å; A164-V184 WeakPolarHBondContact CA-O 3.24Å; G165-V184 PolarHBondContact N-O 2.79Å; C166-V184 HydrophobicContact CB-CG2 4.23Å; C166-V184 PolarHBondContact O-N 3.11Å; V184-N187 HydrophobicContact CG1-CB 4.4Å; V184-L194 HydrophobicContact CB-CD2 4.28Å; V184-L194 HydrophobicContact CG2-CD2 3.73Å
185E93.4Very high92.3Very high69 Ų6927.3 Ų27.332%0.32213%0.132SC..EExtended strand (participates in β ladder)trans-79.6-39.7171.9-65.4-157.8124.700111.8A164 E183 K193 R195A164-E185 WeakPolarHBondContact CB-O 3.32Å; E183-E185 PolarHBondContact O-N 3.34Å; E185-K193 HydrophobicContact CB-CB 4.37Å; E185-K193 HydrophobicContact CB-CD 4.28Å; E185-K193 HydrophobicContact CB-CG 4.49Å; E185-K193 PolarHBondContact N-O 3.22Å; E185-K193 WeakPolarHBondContact OE2-CD 3.44Å; E185-K193 VanDerWaalsContact OE2-CE 3.23Å; E185-K193 WeakPolarHBondContact OE2-CE 3.44Å; E185-K193 IonicContact OE2-NZ 2.86Å; E185-K193 PolarHBondContact OE2-NZ 3.28Å; E185-R195 VanDerWaalsContact CD-NH2 3.31Å; E185-R195 HydrophobicContact CG-CB 3.88Å; E185-R195 IonicContact OE1-CZ 2.77Å; E185-R195 IonicContact OE1-NE 2.7Å; E185-R195 PolarHBondContact OE1-NE 3.22Å; E185-R195 IonicContact OE1-NH2 3.14Å; E185-R195 PolarHBondContact OE1-NH2 2.85Å; E185-R195 IonicContact OE2-CZ 2.67Å; E185-R195 IonicContact OE2-NE 2.66Å; E185-R195 IonicContact OE2-NH2 3.61Å; E185-R195 PolarHBondContact OE2-NH2 3.38Å; E185-R195 VanDerWaalsContact OE2-NH2 3.16Å
186E92.1Very high92.5Very high86 Ų8625 Ų2540%0.40212%0.12SC..EExtended strand (participates in β ladder)trans-151.3144.2-171.2-164-178-178.500109.3V188 L192 K193E186-V188 HydrophobicContact CG-CG2 3.98Å; E186-L192 CarbonylContact O-C 3.55Å; E186-L192 WeakPolarHBondContact O-CA 3.39Å; E186-K193 HydrophobicContact CB-CB 3.84Å; E186-K193 PolarHBondContact N-O 2.94Å; E186-K193 PolarHBondContact O-N 2.81Å
187N90.9Very high92.6Very high40 Ų4024.9 Ų24.921%0.21412%0.119CC..EExtended strand (participates in β ladder)trans-134.8121.7171.6174.3-0.6000107.6V159 L162 V184 G190 L192V159-N187 PolarHBondContact O-ND2 3.04Å; L162-N187 WeakPolarHBondContact O-CB 3.25Å; L162-N187 PolarHBondContact O-ND2 3.35Å; V184-N187 HydrophobicContact CG1-CB 4.4Å; N187-G190 PolarHBondContact OD1-N 3.01Å; N187-G190 VanDerWaalsContact OD1-N 3.14Å; N187-L192 HydrophobicContact CB-CD2 3.64Å
188V86.9Confident92.5Very high18 Ų1818.3 Ų18.311%0.1099%0.094CC..EExtended strand (participates in β ladder)trans-128.3106.8177.6-173.90000108.5E186 G190 R191 W448 N452 Y454E186-V188 HydrophobicContact CG-CG2 3.98Å; V188-G190 PolarHBondContact O-N 3.13Å; V188-R191 PolarHBondContact N-O 3.2Å; V188-R191 WeakPolarHBondContact O-CB 3.39Å; V188-R191 PolarHBondContact O-N 2.97Å; V188-W448 HydrophobicContact CG1-CH2 4.36Å; V188-W448 VanDerWaalsContact O-CH2 3.29Å; V188-W448 WeakPolarHBondContact O-CH2 3.4Å; V188-W448 VanDerWaalsContact O-CZ2 3.27Å; V188-W448 WeakPolarHBondContact O-CZ2 3.39Å; V188-N452 HydrophobicContact CG1-CB 3.58Å; V188-N452 WeakPolarHBondContact CG1-O 3.32Å; V188-Y454 HydrophobicContact CB-CD2 3.98Å; V188-Y454 HydrophobicContact CG1-CD2 3.84Å; V188-Y454 HydrophobicContact CG1-CG 4.42Å; V188-Y454 HydrophobicContact CG2-CD2 4.04Å; V188-Y454 HydrophobicContact CG2-CE2 4.4Å
189G79.3Confident92.4Very high22 Ų2217.7 Ų17.723%0.2279%0.09CC..THydrogen-bonded Turntrans58.131.4177.400000114.7F212 N452G189-F212 WeakPolarHBondContact O-CE2 3.49Å; G189-N452 VanDerWaalsContact CA-OD1 3.23Å; G189-N452 WeakPolarHBondContact CA-OD1 3.26Å
190G88.2Confident92Very high0 Ų021.5 Ų21.50%011%0.108CC..THydrogen-bonded Turntrans90.7-6-177.100000114.3N187 V188 F212 Y213N187-G190 PolarHBondContact OD1-N 3.01Å; N187-G190 VanDerWaalsContact OD1-N 3.14Å; V188-G190 PolarHBondContact O-N 3.13Å; G190-F212 CarbonylContact O-C 3.52Å; G190-F212 WeakPolarHBondContact O-CA 3.24Å; G190-F212 WeakPolarHBondContact O-CD2 3.33Å; G190-Y213 PolarHBondContact O-N 3.26Å
191R93.2Very high91.4Very high3 Ų325.3 Ų25.31%0.01115%0.148CC..EExtended strand (participates in β ladder)trans-93.4113.2173.3-163.8173.7140.9-72.21.2109.9V188 W210 F212 P404 W448 Y454V188-R191 PolarHBondContact N-O 3.2Å; V188-R191 WeakPolarHBondContact O-CB 3.39Å; V188-R191 PolarHBondContact O-N 2.97Å; R191-W210 HydrophobicContact CG-CE3 4.3Å; R191-W210 VanDerWaalsContact NH2-CD2 3.29Å; R191-F212 HydrophobicContact CB-CD2 4.12Å; R191-P404 PolarHBondContact NH2-O 3.21Å; R191-W448 HydrophobicContact CB-CH2 4.13Å; R191-W448 HydrophobicContact CB-CZ2 4.35Å; R191-Y454 PolarHBondContact NH1-OH 2.86Å; R191-Y454 PolarHBondContact NH2-OH 2.9Å
192L94.8Very high90.9Very high0 Ų028.6 Ų28.60%017%0.165CC..EExtended strand (participates in β ladder)trans-98.4133.9-169.4-47.6176.5000111L162 E186 N187 L194 W210 L211 L218L162-L192 HydrophobicContact CB-CD2 4.15Å; L162-L192 HydrophobicContact CD1-CD1 4.1Å; L162-L192 HydrophobicContact CD1-CD2 4.36Å; E186-L192 CarbonylContact O-C 3.55Å; E186-L192 WeakPolarHBondContact O-CA 3.39Å; N187-L192 HydrophobicContact CB-CD2 3.64Å; L192-L194 HydrophobicContact CB-CD2 3.79Å; L192-L194 HydrophobicContact CB-CG 4.06Å; L192-L194 HydrophobicContact CD1-CD2 4.22Å; L192-W210 VanDerWaalsContact C-CE3 3.49Å; L192-W210 WeakPolarHBondContact O-CA 3.47Å; L192-L211 PolarHBondContact N-O 3.44Å; L192-L211 PolarHBondContact O-N 3.15Å; L192-L211 VanDerWaalsContact O-N 3.13Å; L192-L218 HydrophobicContact CD1-CD1 3.54Å
193K95.4Very high90.4Very high25 Ų2533.1 Ų33.111%0.10919%0.194CC..EExtended strand (participates in β ladder)trans-91.5117.6161-163.2-172.9-178-147.30108E185 E186 D204 W210E185-K193 HydrophobicContact CB-CB 4.37Å; E185-K193 HydrophobicContact CB-CD 4.28Å; E185-K193 HydrophobicContact CB-CG 4.49Å; E185-K193 PolarHBondContact N-O 3.22Å; E185-K193 WeakPolarHBondContact OE2-CD 3.44Å; E185-K193 VanDerWaalsContact OE2-CE 3.23Å; E185-K193 WeakPolarHBondContact OE2-CE 3.44Å; E185-K193 IonicContact OE2-NZ 2.86Å; E185-K193 PolarHBondContact OE2-NZ 3.28Å; E186-K193 HydrophobicContact CB-CB 3.84Å; E186-K193 PolarHBondContact N-O 2.94Å; E186-K193 PolarHBondContact O-N 2.81Å; K193-D204 WeakPolarHBondContact CE-OD2 3.21Å; K193-D204 IonicContact NZ-OD1 2.77Å; K193-D204 IonicContact NZ-OD2 2.66Å; K193-D204 PolarHBondContact NZ-OD2 2.95Å; K193-W210 HydrophobicContact CB-CD2 4.09Å; K193-W210 HydrophobicContact CB-CE3 3.83Å; K193-W210 HydrophobicContact CB-CH2 3.67Å; K193-W210 HydrophobicContact CB-CZ2 3.92Å; K193-W210 HydrophobicContact CB-CZ3 3.62Å; K193-W210 HydrophobicContact CD-CH2 4.26Å; K193-W210 HydrophobicContact CD-CZ2 3.87Å; K193-W210 HydrophobicContact CG-CD2 4.14Å; K193-W210 HydrophobicContact CG-CE3 4.4Å; K193-W210 HydrophobicContact CG-CH2 4.11Å; K193-W210 HydrophobicContact CG-CZ2 3.82Å; K193-W210 HydrophobicContact CG-CZ3 4.39Å
194L95.4Very high89.8Confident0 Ų033.7 Ų33.70%020%0.2CC..EExtended strand (participates in β ladder)trans-112.9130.9-176.3-57-178.7000109.7V168 L170 A182 E183 V184 L192 T208 L209 L211 L218V168-L194 HydrophobicContact CG2-CD1 4.21Å; V168-L194 HydrophobicContact CG2-CD2 4.11Å; L170-L194 HydrophobicContact CD1-CD1 4.03Å; L170-L194 HydrophobicContact CD2-CD1 3.87Å; L170-L194 HydrophobicContact CG-CD1 4.45Å; A182-L194 HydrophobicContact CB-CB 4.23Å; E183-L194 CarbonylContact O-C 3.47Å; E183-L194 WeakPolarHBondContact O-CA 3.26Å; V184-L194 HydrophobicContact CB-CD2 4.28Å; V184-L194 HydrophobicContact CG2-CD2 3.73Å; L192-L194 HydrophobicContact CB-CD2 3.79Å; L192-L194 HydrophobicContact CB-CG 4.06Å; L192-L194 HydrophobicContact CD1-CD2 4.22Å; L194-T208 CarbonylContact O-C 3.46Å; L194-T208 WeakPolarHBondContact O-CA 3.31Å; L194-T208 WeakPolarHBondContact O-CB 3.36Å; L194-L209 HydrophobicContact CB-CD1 4.02Å; L194-L209 HydrophobicContact CB-CG 4.3Å; L194-L209 HydrophobicContact CD1-CD1 4Å; L194-L209 HydrophobicContact CG-CD1 4.42Å; L194-L209 PolarHBondContact N-O 3.2Å; L194-L209 PolarHBondContact O-N 3.17Å; L194-L211 HydrophobicContact CD1-CD1 4.24Å; L194-L218 HydrophobicContact CD1-CD1 3.83Å
195R94.7Very high89.1Confident31 Ų3139.7 Ų39.712%0.11724%0.236CC..EExtended strand (participates in β ladder)trans-102.7128.3170.2-174.8172.5-61.8-82.9-8109.9A182 E183 E185 T199 L202 D204 T208A182-R195 CarbonylContact C-O 3.6Å; A182-R195 VanDerWaalsContact CA-O 3.23Å; A182-R195 WeakPolarHBondContact CA-O 3.44Å; A182-R195 WeakPolarHBondContact CB-O 3.43Å; E183-R195 PolarHBondContact N-O 3.27Å; E183-R195 PolarHBondContact O-N 3.5Å; E185-R195 VanDerWaalsContact CD-NH2 3.31Å; E185-R195 HydrophobicContact CG-CB 3.88Å; E185-R195 IonicContact OE1-CZ 2.77Å; E185-R195 IonicContact OE1-NE 2.7Å; E185-R195 PolarHBondContact OE1-NE 3.22Å; E185-R195 IonicContact OE1-NH2 3.14Å; E185-R195 PolarHBondContact OE1-NH2 2.85Å; E185-R195 IonicContact OE2-CZ 2.67Å; E185-R195 IonicContact OE2-NE 2.66Å; E185-R195 IonicContact OE2-NH2 3.61Å; E185-R195 PolarHBondContact OE2-NH2 3.38Å; E185-R195 VanDerWaalsContact OE2-NH2 3.16Å; R195-T199 WeakPolarHBondContact CG-OG1 3.47Å; R195-L202 PolarHBondContact NH1-O 3.3Å; R195-D204 IonicContact CZ-OD1 2.65Å; R195-D204 IonicContact NH1-OD1 3.08Å; R195-D204 IonicContact NH2-OD1 3.6Å; R195-D204 PolarHBondContact NH2-OD1 3.38Å; R195-T208 HydrophobicContact CB-CG2 4.01Å; R195-T208 HydrophobicContact CG-CG2 4.14Å; R195-T208 VanDerWaalsContact CZ-CG2 3.44Å
196L94.4Very high88.4Confident9 Ų939.3 Ų39.35%0.04724%0.24CC..EExtended strand (participates in β ladder)trans-70.2131.9179.4-67.5164.1000109.9L170 A182 T199 A207 L209 P234 L237L170-L196 HydrophobicContact CD1-CD2 4.14Å; A182-L196 HydrophobicContact CB-CD2 4.5Å; L196-T199 HydrophobicContact CB-CG2 4.14Å; L196-T199 WeakPolarHBondContact O-CB 3.24Å; L196-T199 WeakPolarHBondContact O-CG2 3.17Å; L196-T199 PolarHBondContact O-N 2.8Å; L196-T199 VanDerWaalsContact O-N 3.13Å; L196-T199 PolarHBondContact O-OG1 3.16Å; L196-A207 PolarHBondContact N-O 3.26Å; L196-L209 HydrophobicContact CD1-CD2 4.12Å; L196-L209 HydrophobicContact CD2-CD2 4.03Å; L196-L209 HydrophobicContact CG-CD2 4.13Å; L196-P234 HydrophobicContact CD1-CG 4.06Å; L196-P234 HydrophobicContact CD2-CG 4.35Å; L196-L237 HydrophobicContact CB-CD1 3.88Å; L196-L237 HydrophobicContact CD1-CD1 3.65Å; L196-L237 HydrophobicContact CD1-CG 4.43Å; L196-L237 HydrophobicContact CG-CD1 4.39Å
197L93.3Very high88.1Confident3 Ų335.2 Ų35.22%0.01622%0.22CC..THydrogen-bonded Turntrans-64.9142.6-175.3-69.2175.6000111.5Y167 W180 G181 E183 V249 I253 L256Y167-L197 HydrophobicContact CD1-CD1 4.03Å; Y167-L197 HydrophobicContact CD1-CD2 4.08Å; Y167-L197 HydrophobicContact CE1-CD1 4.35Å; Y167-L197 HydrophobicContact CE1-CD2 3.8Å; W180-L197 PolarHBondContact NE1-O 2.91Å; G181-L197 WeakPolarHBondContact O-CB 3.49Å; G181-L197 WeakPolarHBondContact O-CG 3.47Å; G181-L197 PolarHBondContact O-N 3.02Å; E183-L197 HydrophobicContact CB-CD2 4.06Å; L197-V249 HydrophobicContact CB-CG1 4.04Å; L197-I253 HydrophobicContact CB-CD1 4.49Å; L197-I253 HydrophobicContact CB-CG1 4.49Å; L197-I253 HydrophobicContact CD1-CD1 4.45Å; L197-I253 HydrophobicContact CD1-CG1 3.74Å; L197-L256 HydrophobicContact CD1-CD1 4.21Å
198G89.4Confident88.2Confident1 Ų134.4 Ų34.41%0.0122%0.217CC..THydrogen-bonded Turntrans87-4.2-168.800000114.6E200 R241G198-E200 WeakPolarHBondContact CA-OE2 3.3Å; G198-E200 PolarHBondContact N-OE1 2.78Å; G198-E200 PolarHBondContact N-OE2 2.98Å; G198-R241 VanDerWaalsContact O-CZ 3.25Å; G198-R241 PolarHBondContact O-NE 3.13Å; G198-R241 PolarHBondContact O-NH2 3.01Å
199T90.6Very high88.5Confident0 Ų035.8 Ų35.80%022%0.224CC..  trans-101.220.7177.171.60000114R195 L196 G201 L202 A207 L237R195-T199 WeakPolarHBondContact CG-OG1 3.47Å; L196-T199 HydrophobicContact CB-CG2 4.14Å; L196-T199 WeakPolarHBondContact O-CB 3.24Å; L196-T199 WeakPolarHBondContact O-CG2 3.17Å; L196-T199 PolarHBondContact O-N 2.8Å; L196-T199 VanDerWaalsContact O-N 3.13Å; L196-T199 PolarHBondContact O-OG1 3.16Å; T199-G201 PolarHBondContact O-N 3.22Å; T199-L202 HydrophobicContact CG2-CD1 4.29Å; T199-L202 WeakPolarHBondContact O-CB 3.49Å; T199-L202 PolarHBondContact O-N 3.37Å; T199-A207 HydrophobicContact CG2-CB 4.3Å; T199-A207 WeakPolarHBondContact OG1-CB 3.37Å; T199-A207 PolarHBondContact OG1-O 3.28Å; T199-L237 HydrophobicContact CG2-CD1 3.55Å; T199-L237 HydrophobicContact CG2-CD2 4.27Å
200E87.3Confident89.2Confident82 Ų8236.7 Ų36.738%0.38322%0.22SC..THydrogen-bonded Turntrans-60.7120.9-176.1-57.280.9-177.100111.4G198 L202 R241 R252G198-E200 WeakPolarHBondContact CA-OE2 3.3Å; G198-E200 PolarHBondContact N-OE1 2.78Å; G198-E200 PolarHBondContact N-OE2 2.98Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-R241 IonicContact OE2-NH2 2.6Å; E200-R252 IonicContact OE1-CZ 3.68Å; E200-R252 IonicContact OE1-NH1 3.14Å; E200-R252 PolarHBondContact OE1-NH1 3.15Å
201G81.2Confident89.4Confident84 Ų8437.9 Ų37.987%0.86623%0.226SC*.THydrogen-bonded Turntrans81.91.6-177.800000115.7T199T199-G201 PolarHBondContact O-N 3.22Å
202L84.9Confident89.4Confident70 Ų7038 Ų3837%0.36623%0.227SC..SBendtrans-78.9152.8169-63.6-173.1000111.7R195 T199 E200 A207 L240R195-L202 PolarHBondContact NH1-O 3.3Å; T199-L202 HydrophobicContact CG2-CD1 4.29Å; T199-L202 WeakPolarHBondContact O-CB 3.49Å; T199-L202 PolarHBondContact O-N 3.37Å; E200-L202 VanDerWaalsContact C-N 3.34Å; L202-A207 HydrophobicContact CB-CB 3.98Å; L202-L240 HydrophobicContact CD1-CD1 3.97Å
203P84.4Confident89.2Confident94 Ų9438.3 Ų38.361%0.6123%0.228SC*.  trans-61.2148.3174.227.7-36.3000111.7T205 A207P203-T205 CarbonylContact O-C 3.58Å; P203-T205 PolarHBondContact O-N 3.24Å; P203-A207 WeakPolarHBondContact O-CB 3.29Å
204D81Confident88.9Confident71 Ų7138 Ų3838%0.3823%0.228SC..Hα-helixtrans-55.1-24.9-170.4-77.15.3000115.2K193 R195 A207 T208K193-D204 WeakPolarHBondContact CE-OD2 3.21Å; K193-D204 IonicContact NZ-OD1 2.77Å; K193-D204 IonicContact NZ-OD2 2.66Å; K193-D204 PolarHBondContact NZ-OD2 2.95Å; R195-D204 IonicContact CZ-OD1 2.65Å; R195-D204 IonicContact NH1-OD1 3.08Å; R195-D204 IonicContact NH2-OD1 3.6Å; R195-D204 PolarHBondContact NH2-OD1 3.38Å; D204-A207 PolarHBondContact O-N 2.85Å; D204-T208 HydrophobicContact CB-CG2 4.33Å; D204-T208 WeakPolarHBondContact CB-OG1 3.49Å; D204-T208 WeakPolarHBondContact O-CA 3.34Å; D204-T208 WeakPolarHBondContact O-CB 3.42Å; D204-T208 PolarHBondContact O-N 3.04Å; D204-T208 PolarHBondContact O-OG1 3.01Å
205T79.8Confident88.7Confident126 Ų12640.4 Ų40.477%0.77324%0.239SC*.Hα-helixtrans-110.2123.1167.6-44.10000109.1P203P203-T205 CarbonylContact O-C 3.58Å; P203-T205 PolarHBondContact O-N 3.24Å
206P79.1Confident88.4Confident60 Ų6041.3 Ų41.339%0.3925%0.249SC..Hα-helixcis-91.812.82.438.2-37.5000114.9T208 L237P206-T208 VanDerWaalsContact C-N 3.32Å; P206-T208 PolarHBondContact O-N 2.9Å; P206-L237 HydrophobicContact CB-CD2 4.08Å; P206-L237 HydrophobicContact CG-CD2 3.67Å
207A86.7Confident88.1Confident0 Ų044.5 Ų44.50%026%0.26CS..Hα-helixtrans-68.2-24.3-170.500000115.4L196 T199 L202 P203 D204L196-A207 PolarHBondContact N-O 3.26Å; T199-A207 HydrophobicContact CG2-CB 4.3Å; T199-A207 WeakPolarHBondContact OG1-CB 3.37Å; T199-A207 PolarHBondContact OG1-O 3.28Å; L202-A207 HydrophobicContact CB-CB 3.98Å; P203-A207 WeakPolarHBondContact O-CB 3.29Å; D204-A207 PolarHBondContact O-N 2.85Å
208T92.3Very high88.1Confident24 Ų2444.5 Ų44.515%0.14726%0.26CS..EExtended strand (participates in β ladder)trans-127154.8-174.968.20000112.5L194 R195 D204 P206L194-T208 CarbonylContact O-C 3.46Å; L194-T208 WeakPolarHBondContact O-CA 3.31Å; L194-T208 WeakPolarHBondContact O-CB 3.36Å; R195-T208 HydrophobicContact CB-CG2 4.01Å; R195-T208 HydrophobicContact CG-CG2 4.14Å; R195-T208 VanDerWaalsContact CZ-CG2 3.44Å; D204-T208 HydrophobicContact CB-CG2 4.33Å; D204-T208 WeakPolarHBondContact CB-OG1 3.49Å; D204-T208 WeakPolarHBondContact O-CA 3.34Å; D204-T208 WeakPolarHBondContact O-CB 3.42Å; D204-T208 PolarHBondContact O-N 3.04Å; D204-T208 PolarHBondContact O-OG1 3.01Å; P206-T208 VanDerWaalsContact C-N 3.32Å; P206-T208 PolarHBondContact O-N 2.9Å
209L92.3Very high88.1Confident47 Ų4744.6 Ų44.625%0.24626%0.26CS..EExtended strand (participates in β ladder)trans-142.5156.817659.792.7000110L170 L194 L196 L211L170-L209 HydrophobicContact CD1-CD1 3.96Å; L170-L209 HydrophobicContact CD1-CD2 3.93Å; L170-L209 HydrophobicContact CD1-CG 4.42Å; L194-L209 HydrophobicContact CB-CD1 4.02Å; L194-L209 HydrophobicContact CB-CG 4.3Å; L194-L209 HydrophobicContact CD1-CD1 4Å; L194-L209 HydrophobicContact CG-CD1 4.42Å; L194-L209 PolarHBondContact N-O 3.2Å; L194-L209 PolarHBondContact O-N 3.17Å; L196-L209 HydrophobicContact CD1-CD2 4.12Å; L196-L209 HydrophobicContact CD2-CD2 4.03Å; L196-L209 HydrophobicContact CG-CD2 4.13Å; L209-L211 HydrophobicContact CD1-CD1 3.72Å; L209-L211 HydrophobicContact CD1-CG 3.65Å
210W94Very high88Confident40 Ų4045 Ų4515%0.15226%0.263CS..EExtended strand (participates in β ladder)trans-110.3133.4175.7-7193.5000109.7R191 L192 K193 P404 E405 Y454R191-W210 HydrophobicContact CG-CE3 4.3Å; R191-W210 VanDerWaalsContact NH2-CD2 3.29Å; L192-W210 VanDerWaalsContact C-CE3 3.49Å; L192-W210 WeakPolarHBondContact O-CA 3.47Å; K193-W210 HydrophobicContact CB-CD2 4.09Å; K193-W210 HydrophobicContact CB-CE3 3.83Å; K193-W210 HydrophobicContact CB-CH2 3.67Å; K193-W210 HydrophobicContact CB-CZ2 3.92Å; K193-W210 HydrophobicContact CB-CZ3 3.62Å; K193-W210 HydrophobicContact CD-CH2 4.26Å; K193-W210 HydrophobicContact CD-CZ2 3.87Å; K193-W210 HydrophobicContact CG-CD2 4.14Å; K193-W210 HydrophobicContact CG-CE3 4.4Å; K193-W210 HydrophobicContact CG-CH2 4.11Å; K193-W210 HydrophobicContact CG-CZ2 3.82Å; K193-W210 HydrophobicContact CG-CZ3 4.39Å; W210-P404 HydrophobicContact CB-CB 4.29Å; W210-E405 HydrophobicContact CZ2-CB 4.45Å; W210-Y454 AromaticContact CH2-CE2 3.88Å; W210-Y454 HydrophobicContact CH2-CE2 3.88Å; W210-Y454 WeakPolarHBondContact CH2-OH 3.45Å; W210-Y454 VanDerWaalsContact CZ2-OH 3.32Å; W210-Y454 WeakPolarHBondContact CZ2-OH 3.45Å; W210-Y454 HydrophobicContact CZ3-CE2 4.26Å
211L93.7Very high88Confident25 Ų2541.7 Ų41.713%0.13125%0.248CC..EExtended strand (participates in β ladder)trans-141.5153.3172.1-66.3176000109.5L170 L192 L194 L209 H215L170-L211 HydrophobicContact CD2-CD1 3.93Å; L192-L211 PolarHBondContact N-O 3.44Å; L192-L211 PolarHBondContact O-N 3.15Å; L192-L211 VanDerWaalsContact O-N 3.13Å; L194-L211 HydrophobicContact CD1-CD1 4.24Å; L209-L211 HydrophobicContact CD1-CD1 3.72Å; L209-L211 HydrophobicContact CD1-CG 3.65Å; L211-H215 HydrophobicContact CB-CB 4.15Å; L211-H215 HydrophobicContact CD2-CB 4.37Å
212F93.4Very high88.3Confident5 Ų538 Ų382%0.02221%0.211CC..EExtended strand (participates in β ladder)trans-79.6152.2163.8-160.8-100.2000110.1H40 G189 G190 R191 L214 H215 L441 F444H40-F212 HydrophobicContact CB-CD1 4.28Å; H40-F212 HydrophobicContact CB-CE1 3.89Å; H40-F212 AromaticContact CD2-CE1 3.87Å; H40-F212 AromaticContact CD2-CZ 3.77Å; G189-F212 WeakPolarHBondContact O-CE2 3.49Å; G190-F212 CarbonylContact O-C 3.52Å; G190-F212 WeakPolarHBondContact O-CA 3.24Å; G190-F212 WeakPolarHBondContact O-CD2 3.33Å; R191-F212 HydrophobicContact CB-CD2 4.12Å; F212-L214 VanDerWaalsContact C-N 3.26Å; F212-L214 HydrophobicContact CD1-CB 4.04Å; F212-L214 HydrophobicContact CD1-CD1 4.39Å; F212-L214 HydrophobicContact CD1-CG 4.21Å; F212-L214 HydrophobicContact CE1-CB 4.44Å; F212-L214 HydrophobicContact CE1-CD1 4Å; F212-L214 HydrophobicContact CE1-CG 4.12Å; F212-L214 PolarHBondContact O-N 2.82Å; F212-H215 WeakPolarHBondContact O-CB 3.49Å; F212-H215 PolarHBondContact O-N 2.93Å; F212-L441 HydrophobicContact CB-CB 3.72Å; F212-L441 HydrophobicContact CB-CD1 4.18Å; F212-L441 HydrophobicContact CB-CG 4.47Å; F212-L441 HydrophobicContact CD1-CD2 4.36Å; F212-L441 HydrophobicContact CG-CB 4.28Å; F212-F444 HydrophobicContact CD2-CE1 4.07Å; F212-F444 HydrophobicContact CD2-CZ 4.36Å; F212-F444 HydrophobicContact CE2-CE1 4.03Å
213Y90Very high88.6Confident8 Ų836.3 Ų36.33%0.03120%0.2CC..THydrogen-bonded Turntrans-63.2-29.8-172.787.8-84.7000113.9G44 P158 V159 L162 G190 H215 D269G44-Y213 WeakPolarHBondContact CA-OH 3.37Å; G44-Y213 PolarHBondContact N-OH 3.4Å; P158-Y213 HydrophobicContact CB-CD2 4.46Å; P158-Y213 HydrophobicContact CB-CE2 3.8Å; V159-Y213 HydrophobicContact CG2-CD1 3.65Å; V159-Y213 HydrophobicContact CG2-CE1 3.55Å; V159-Y213 HydrophobicContact CG2-CG 4.35Å; L162-Y213 HydrophobicContact CD1-CD2 4.28Å; L162-Y213 HydrophobicContact CD1-CG 4.26Å; G190-Y213 PolarHBondContact O-N 3.26Å; Y213-H215 PolarHBondContact O-N 3.01Å; Y213-D269 VanDerWaalsContact CE2-OD2 3.31Å; Y213-D269 WeakPolarHBondContact CE2-OD2 3.21Å; Y213-D269 PolarHBondContact OH-OD2 3.45Å
214L89.4Confident88.9Confident18 Ų1831.9 Ų31.99%0.09417%0.171CC..THydrogen-bonded Turntrans-77.96.6174-62.1173.6000114.4H40 Q43 F212 P216 D269 L441H40-L214 HydrophobicContact CB-CD1 3.82Å; Q43-L214 HydrophobicContact CB-CD1 4.03Å; Q43-L214 HydrophobicContact CG-CD1 4.04Å; Q43-L214 HydrophobicContact CG-CD2 4.49Å; F212-L214 VanDerWaalsContact C-N 3.26Å; F212-L214 HydrophobicContact CD1-CB 4.04Å; F212-L214 HydrophobicContact CD1-CD1 4.39Å; F212-L214 HydrophobicContact CD1-CG 4.21Å; F212-L214 HydrophobicContact CE1-CB 4.44Å; F212-L214 HydrophobicContact CE1-CD1 4Å; F212-L214 HydrophobicContact CE1-CG 4.12Å; F212-L214 PolarHBondContact O-N 2.82Å; L214-P216 WeakPolarHBondContact O-CD 3.46Å; L214-D269 HydrophobicContact CD2-CB 3.59Å; L214-L441 HydrophobicContact CB-CD1 4.37Å; L214-L441 HydrophobicContact CB-CD2 4.43Å
215H90.6Very high89.3Confident50 Ų5035.6 Ų35.623%0.23118%0.184CC..  trans-67.4125.6-176.3-172.3-82.8000110.8L211 F212 Y213 R217 L218 L441L211-H215 HydrophobicContact CB-CB 4.15Å; L211-H215 HydrophobicContact CD2-CB 4.37Å; F212-H215 WeakPolarHBondContact O-CB 3.49Å; F212-H215 PolarHBondContact O-N 2.93Å; Y213-H215 PolarHBondContact O-N 3.01Å; H215-R217 PolarHBondContact ND1-N 3.11Å; H215-R217 PolarHBondContact O-N 3.44Å; H215-L218 WeakPolarHBondContact O-CB 3.49Å; H215-L218 PolarHBondContact O-N 2.75Å; H215-L441 HydrophobicContact CB-CD1 4.02Å
216P87.9Confident89.7Confident50 Ų5037 Ų3733%0.32518%0.181SC..THydrogen-bonded Turntrans-57.4-20.8-169-29.836000116.9L214 H219L214-P216 WeakPolarHBondContact O-CD 3.46Å; P216-H219 PolarHBondContact O-CE1 3.19Å; P216-H219 VanDerWaalsContact O-CE1 3.26Å; P216-H219 PolarHBondContact O-NE2 3.4Å
217R89.9Confident90Very high77 Ų7739.9 Ų39.929%0.29119%0.19SC..THydrogen-bonded Turntrans-80.9-5.3175-66174.655.8-157.6-4.7114.6L170 Q171 D172 H215 H219L170-R217 CarbonylContact C-O 3.58Å; L170-R217 VanDerWaalsContact CA-O 3.29Å; L170-R217 WeakPolarHBondContact CA-O 3.49Å; Q171-R217 HydrophobicContact CB-CB 4.19Å; Q171-R217 HydrophobicContact CB-CG 4.39Å; Q171-R217 PolarHBondContact N-O 3.35Å; Q171-R217 PolarHBondContact O-NE 2.99Å; Q171-R217 PolarHBondContact O-NH2 3.47Å; D172-R217 PolarHBondContact O-NE 3.07Å; H215-R217 PolarHBondContact ND1-N 3.11Å; H215-R217 PolarHBondContact O-N 3.44Å; R217-H219 PolarHBondContact O-CD2 2.83Å; R217-H219 VanDerWaalsContact O-CD2 3.25Å
218L91.6Very high90.2Very high2 Ų242.8 Ų42.81%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-103.6115.2-173.1-172.4155.7000110.9V168 L170 L192 L194 H215 L266 Q270V168-L218 HydrophobicContact CB-CD2 4.39Å; V168-L218 HydrophobicContact CB-CG 4.44Å; V168-L218 HydrophobicContact CG1-CD2 4.16Å; V168-L218 HydrophobicContact CG2-CG 4.45Å; L170-L218 HydrophobicContact CD2-CB 4.05Å; L170-L218 HydrophobicContact CD2-CD1 4.28Å; L170-L218 HydrophobicContact CD2-CG 4.01Å; L192-L218 HydrophobicContact CD1-CD1 3.54Å; L194-L218 HydrophobicContact CD1-CD1 3.83Å; H215-L218 WeakPolarHBondContact O-CB 3.49Å; H215-L218 PolarHBondContact O-N 2.75Å; L218-L266 HydrophobicContact CD2-CD2 3.77Å; L218-Q270 PolarHBondContact O-NE2 3.29Å
219H89.9Confident90.1Very high4 Ų442.6 Ų42.62%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-124.3157.9-173.6-53.4-82.5000111.2E169 P216 R217 W223 Q270E169-H219 PolarHBondContact N-O 3.19Å; E169-H219 PolarHBondContact O-N 2.99Å; P216-H219 PolarHBondContact O-CE1 3.19Å; P216-H219 VanDerWaalsContact O-CE1 3.26Å; P216-H219 PolarHBondContact O-NE2 3.4Å; R217-H219 PolarHBondContact O-CD2 2.83Å; R217-H219 VanDerWaalsContact O-CD2 3.25Å; H219-W223 HydrophobicContact CB-CB 3.7Å; H219-W223 HydrophobicContact CB-CD2 3.6Å; H219-W223 HydrophobicContact CB-CE3 3.92Å; H219-W223 HydrophobicContact CB-CG 3.5Å; H219-W223 VanDerWaalsContact CB-CG 3.5Å; H219-W223 AromaticContact CD2-CD2 3.79Å; H219-W223 AromaticContact CD2-CE2 3.91Å; H219-W223 AromaticContact CD2-CE3 3.65Å; H219-W223 AromaticContact CD2-CH2 3.85Å; H219-W223 AromaticContact CD2-CZ2 3.95Å; H219-W223 AromaticContact CD2-CZ3 3.7Å; H219-W223 AromaticContact CE1-CE2 3.56Å; H219-W223 AromaticContact CE1-CZ2 3.49Å; H219-W223 VanDerWaalsContact CE1-CZ2 3.49Å; H219-W223 WeakPolarHBondContact CE1-CZ2 3.13Å; H219-W223 AromaticContact CE1-NE1 3.89Å; H219-W223 AromaticContact CG-CD2 3.37Å; H219-W223 AromaticContact CG-CE2 3.56Å; H219-W223 AromaticContact CG-CE3 3.68Å; H219-W223 AromaticContact CG-CG 3.72Å; H219-W223 AromaticContact CG-NE1 3.92Å; H219-W223 AromaticContact ND1-CD1 3.76Å; H219-W223 AromaticContact ND1-CD2 3.63Å; H219-W223 AromaticContact ND1-CE2 3.31Å; H219-W223 VanDerWaalsContact ND1-CE2 3.31Å; H219-W223 AromaticContact ND1-CG 3.92Å; H219-W223 AromaticContact ND1-CZ2 3.75Å; H219-W223 AromaticContact ND1-NE1 3.36Å; H219-W223 PolarHBondContact ND1-NE1 2.8Å; H219-W223 AromaticContact NE2-CE2 3.93Å; H219-W223 AromaticContact NE2-CH2 3.66Å; H219-W223 AromaticContact NE2-CZ2 3.61Å; H219-Q270 PolarHBondContact ND1-NE2 3.46Å; H219-Q270 PolarHBondContact ND1-OE1 3.32Å
220P88.9Confident90.2Very high7 Ų744.8 Ų44.85%0.04524%0.235CC..  trans-69.8160.8171.930-35.7000112.3W223 T263 L266P220-W223 VanDerWaalsContact O-CB 3.31Å; P220-W223 WeakPolarHBondContact O-CB 3.38Å; P220-W223 PolarHBondContact O-N 2.94Å; P220-T263 HydrophobicContact CB-CG2 4.24Å; P220-T263 WeakPolarHBondContact CB-OG1 3.49Å; P220-T263 HydrophobicContact CG-CG2 3.88Å; P220-L266 HydrophobicContact CB-CD2 4.34Å
221P88.1Confident90.2Very high13 Ų1344.6 Ų44.68%0.08424%0.237CC..THydrogen-bonded Turntrans-53.6141172.6-25.535.4000112.9Y167Y167-P221 VanDerWaalsContact O-CG 3.31Å; Y167-P221 WeakPolarHBondContact O-CG 3.34Å
222G86.8Confident90.1Very high8 Ų850 Ų508%0.08226%0.255CS..THydrogen-bonded Turntrans91.5-20.7-178.200000114.7E169 A224 K225 E226E169-G222 PolarHBondContact OE1-N 3.44Å; G222-A224 VanDerWaalsContact C-N 3.34Å; G222-A224 PolarHBondContact O-N 3.33Å; G222-K225 WeakPolarHBondContact O-CB 3.44Å; G222-K225 PolarHBondContact O-N 3.26Å; G222-E226 PolarHBondContact O-N 3.47Å
223W90.1Very high89.8Confident34 Ų3450 Ų5013%0.12926%0.256CS..Hα-helixtrans-55.3-43.6-177.117388.8000113.4E169 Q171 A179 H219 P220 K225 E226 Q227E169-W223 PolarHBondContact OE2-N 3.28Å; Q171-W223 HydrophobicContact CB-CH2 4.15Å; Q171-W223 HydrophobicContact CB-CZ3 4.25Å; Q171-W223 HydrophobicContact CG-CH2 4.12Å; A179-W223 HydrophobicContact CB-CZ3 4.34Å; H219-W223 HydrophobicContact CB-CB 3.7Å; H219-W223 HydrophobicContact CB-CD2 3.6Å; H219-W223 HydrophobicContact CB-CE3 3.92Å; H219-W223 HydrophobicContact CB-CG 3.5Å; H219-W223 VanDerWaalsContact CB-CG 3.5Å; H219-W223 AromaticContact CD2-CD2 3.79Å; H219-W223 AromaticContact CD2-CE2 3.91Å; H219-W223 AromaticContact CD2-CE3 3.65Å; H219-W223 AromaticContact CD2-CH2 3.85Å; H219-W223 AromaticContact CD2-CZ2 3.95Å; H219-W223 AromaticContact CD2-CZ3 3.7Å; H219-W223 AromaticContact CE1-CE2 3.56Å; H219-W223 AromaticContact CE1-CZ2 3.49Å; H219-W223 VanDerWaalsContact CE1-CZ2 3.49Å; H219-W223 WeakPolarHBondContact CE1-CZ2 3.13Å; H219-W223 AromaticContact CE1-NE1 3.89Å; H219-W223 AromaticContact CG-CD2 3.37Å; H219-W223 AromaticContact CG-CE2 3.56Å; H219-W223 AromaticContact CG-CE3 3.68Å; H219-W223 AromaticContact CG-CG 3.72Å; H219-W223 AromaticContact CG-NE1 3.92Å; H219-W223 AromaticContact ND1-CD1 3.76Å; H219-W223 AromaticContact ND1-CD2 3.63Å; H219-W223 AromaticContact ND1-CE2 3.31Å; H219-W223 VanDerWaalsContact ND1-CE2 3.31Å; H219-W223 AromaticContact ND1-CG 3.92Å; H219-W223 AromaticContact ND1-CZ2 3.75Å; H219-W223 AromaticContact ND1-NE1 3.36Å; H219-W223 PolarHBondContact ND1-NE1 2.8Å; H219-W223 AromaticContact NE2-CE2 3.93Å; H219-W223 AromaticContact NE2-CH2 3.66Å; H219-W223 AromaticContact NE2-CZ2 3.61Å; P220-W223 VanDerWaalsContact O-CB 3.31Å; P220-W223 WeakPolarHBondContact O-CB 3.38Å; P220-W223 PolarHBondContact O-N 2.94Å; W223-K225 VanDerWaalsContact C-N 3.25Å; W223-K225 PolarHBondContact O-N 3.31Å; W223-E226 PolarHBondContact O-N 3.19Å; W223-E226 VanDerWaalsContact O-N 3.14Å; W223-Q227 HydrophobicContact CD2-CG 4.04Å; W223-Q227 HydrophobicContact CG-CG 4.39Å; W223-Q227 HydrophobicContact CH2-CG 4.43Å; W223-Q227 HydrophobicContact CZ2-CB 4.47Å; W223-Q227 HydrophobicContact CZ2-CG 3.74Å; W223-Q227 WeakPolarHBondContact O-CG 3.13Å; W223-Q227 PolarHBondContact O-N 3.41Å
224A90.8Very high89.6Confident1 Ų150.8 Ų50.81%0.00826%0.262CS..Hα-helixtrans-62.3-36.9-18000000111.3E169 A179 G222 G228 C229 L231E169-A224 WeakPolarHBondContact OE2-CB 3.41Å; E169-A224 PolarHBondContact OE2-N 2.93Å; A179-A224 HydrophobicContact CB-CB 3.8Å; G222-A224 VanDerWaalsContact C-N 3.34Å; G222-A224 PolarHBondContact O-N 3.33Å; A224-G228 CarbonylContact O-C 3.57Å; A224-G228 PolarHBondContact O-N 2.77Å; A224-C229 HydrophobicContact CB-CB 3.96Å; A224-C229 PolarHBondContact O-N 2.98Å; A224-L231 HydrophobicContact CB-CD2 4.07Å
225K89.2Confident89.2Confident149 Ų14953.5 Ų53.565%0.64828%0.282SS*.Hα-helixtrans-70.8-34.3176.6157-174.5151.4-150.90111.8G222 W223 E258G222-K225 WeakPolarHBondContact O-CB 3.44Å; G222-K225 PolarHBondContact O-N 3.26Å; W223-K225 VanDerWaalsContact C-N 3.25Å; W223-K225 PolarHBondContact O-N 3.31Å; K225-E258 IonicContact NZ-OE1 3.69Å; K225-E258 PolarHBondContact NZ-OE1 3.24Å
226E88.5Confident88.7Confident155 Ų15556.8 Ų56.872%0.72430%0.298SS*.Hα-helixtrans-69.4-45172-64.2-167.8139.500112.9G222 W223 G228G222-E226 PolarHBondContact O-N 3.47Å; W223-E226 PolarHBondContact O-N 3.19Å; W223-E226 VanDerWaalsContact O-N 3.14Å; E226-G228 PolarHBondContact O-N 3.12Å
227Q87.1Confident88.6Confident120 Ų12054.5 Ų54.556%0.56128%0.283SS*.THydrogen-bonded Turntrans-77.7-4.1179.3-59.1-51.4-54.600113.5W223 C229W223-Q227 HydrophobicContact CD2-CG 4.04Å; W223-Q227 HydrophobicContact CG-CG 4.39Å; W223-Q227 HydrophobicContact CH2-CG 4.43Å; W223-Q227 HydrophobicContact CZ2-CB 4.47Å; W223-Q227 HydrophobicContact CZ2-CG 3.74Å; W223-Q227 WeakPolarHBondContact O-CG 3.13Å; W223-Q227 PolarHBondContact O-N 3.41Å; Q227-C229 VanDerWaalsContact C-N 3.27Å; Q227-C229 PolarHBondContact O-N 3.04Å
228G89.3Confident88.3Confident62 Ų6253 Ų5364%0.63928%0.28SS*.THydrogen-bonded Turntrans68.323.8-176.400000114.1A224 E226A224-G228 CarbonylContact O-C 3.57Å; A224-G228 PolarHBondContact O-N 2.77Å; E226-G228 PolarHBondContact O-N 3.12Å
229C91.2Very high88Confident19 Ų1957.6 Ų57.613%0.12832%0.318CS..  trans-71.1148.1174.8-66.70000111.3R177 A179 A224 Q227R177-C229 CarbonylContact O-C 3.51Å; R177-C229 VanDerWaalsContact O-CA 3.27Å; R177-C229 WeakPolarHBondContact O-CA 3.36Å; A179-C229 HydrophobicContact CB-CB 4.47Å; A224-C229 HydrophobicContact CB-CB 3.96Å; A224-C229 PolarHBondContact O-N 2.98Å; Q227-C229 VanDerWaalsContact C-N 3.27Å; Q227-C229 PolarHBondContact O-N 3.04Å
230T93.4Very high87.7Confident94 Ų9461.5 Ų61.558%0.57734%0.339SS*.EExtended strand (participates in β ladder)trans-84.4123.1174.7-57.20000109.6R177 S178 A179 R232R177-T230 PolarHBondContact O-N 3.21Å; S178-T230 WeakPolarHBondContact CA-O 3.44Å; A179-T230 PolarHBondContact N-O 2.99Å; T230-R232 PolarHBondContact O-N 3.45Å
231L93.6Very high87.6Confident36 Ų3665 Ų6519%0.18835%0.351CS..EExtended strand (participates in β ladder)trans-67.1115.4167.7-67.5177.9000109.1A179 W180 A224 R250 I253A179-L231 CarbonylContact O-C 3.56Å; A179-L231 VanDerWaalsContact O-CA 3.3Å; A179-L231 WeakPolarHBondContact O-CA 3.47Å; W180-L231 HydrophobicContact CE3-CB 4.42Å; W180-L231 HydrophobicContact CZ3-CB 4.34Å; A224-L231 HydrophobicContact CB-CD2 4.07Å; L231-R250 HydrophobicContact CB-CG 4.2Å; L231-R250 VanDerWaalsContact O-CD 3.23Å; L231-R250 WeakPolarHBondContact O-CD 3.34Å; L231-I253 HydrophobicContact CD1-CB 4.17Å; L231-I253 HydrophobicContact CD1-CG2 3.67Å; L231-I253 HydrophobicContact CD2-CG2 4.13Å
232R91.5Very high87.6Confident139 Ų13966.6 Ų66.653%0.52536%0.363SS..  trans-147.2133.8178.2-171-175.4-177.1-171.4-1.1110.5A179 T230A179-R232 PolarHBondContact O-N 2.94Å; T230-R232 PolarHBondContact O-N 3.45Å
233P88.4Confident87.8Confident5 Ų571.5 Ų71.53%0.03238%0.384CS..  trans-68148.2176.930.4-35.5000110.3W180 L237 L238 W246W180-P233 HydrophobicContact CD2-CB 4.08Å; W180-P233 HydrophobicContact CE3-CB 4.38Å; W180-P233 VanDerWaalsContact CE3-N 3.27Å; W180-P233 HydrophobicContact CH2-CB 4.12Å; W180-P233 HydrophobicContact CH2-CG 4.22Å; W180-P233 HydrophobicContact CZ2-CB 3.86Å; W180-P233 HydrophobicContact CZ2-CG 4.4Å; W180-P233 HydrophobicContact CZ3-CB 4.39Å; W180-P233 VanDerWaalsContact CZ3-CD 3.5Å; W180-P233 HydrophobicContact CZ3-CG 4.47Å; P233-L237 HydrophobicContact CB-CB 4.44Å; P233-L238 HydrophobicContact CG-CD2 3.73Å; P233-L238 HydrophobicContact CG-CG 4.44Å; P233-W246 HydrophobicContact CB-CD2 4.25Å; P233-W246 HydrophobicContact CB-CE3 4.14Å; P233-W246 HydrophobicContact CB-CH2 4.15Å; P233-W246 HydrophobicContact CB-CZ2 4.24Å; P233-W246 HydrophobicContact CB-CZ3 4.09Å; P233-W246 HydrophobicContact CG-CD2 3.78Å; P233-W246 HydrophobicContact CG-CE3 4.11Å; P233-W246 HydrophobicContact CG-CG 4.1Å; P233-W246 HydrophobicContact CG-CZ2 4.36Å
234P85.3Confident87.7Confident24 Ų2476.4 Ų76.416%0.15641%0.408CS..  trans-51.1150.8175-31.237.3000113.7L196 E236 L237 L238L196-P234 HydrophobicContact CD1-CG 4.06Å; L196-P234 HydrophobicContact CD2-CG 4.35Å; P234-E236 WeakPolarHBondContact CB-OE2 3.5Å; P234-E236 PolarHBondContact O-N 3.05Å; P234-E236 VanDerWaalsContact O-N 3.08Å; P234-L237 PolarHBondContact O-N 2.79Å; P234-L238 PolarHBondContact O-N 3.14Å
235S82.1Confident87.7Confident74 Ų7480.1 Ų80.152%0.51743%0.425SS..THydrogen-bonded Turntrans-54.5-33.3-172.520.70000113.9L237S235-L237 VanDerWaalsContact C-N 3.28Å; S235-L237 PolarHBondContact O-N 3.08Å
236E79.8Confident87.9Confident120 Ų12073.2 Ų73.256%0.56140%0.395SS*.THydrogen-bonded Turntrans-74.1-23-176.9-54.763.3-126.500111.4P234P234-E236 WeakPolarHBondContact CB-OE2 3.5Å; P234-E236 PolarHBondContact O-N 3.05Å; P234-E236 VanDerWaalsContact O-N 3.08Å
237L84.2Confident88Confident2 Ų269.5 Ų69.51%0.0138%0.377CS..THydrogen-bonded Turntrans-92.8-24.1179.3-56.4-167.5000113.2L196 T199 P206 P233 P234 S235 A239 L240 W246L196-L237 HydrophobicContact CB-CD1 3.88Å; L196-L237 HydrophobicContact CD1-CD1 3.65Å; L196-L237 HydrophobicContact CD1-CG 4.43Å; L196-L237 HydrophobicContact CG-CD1 4.39Å; T199-L237 HydrophobicContact CG2-CD1 3.55Å; T199-L237 HydrophobicContact CG2-CD2 4.27Å; P206-L237 HydrophobicContact CB-CD2 4.08Å; P206-L237 HydrophobicContact CG-CD2 3.67Å; P233-L237 HydrophobicContact CB-CB 4.44Å; P234-L237 PolarHBondContact O-N 2.79Å; S235-L237 VanDerWaalsContact C-N 3.28Å; S235-L237 PolarHBondContact O-N 3.08Å; L237-A239 PolarHBondContact O-N 3.36Å; L237-L240 HydrophobicContact CB-CD1 4.22Å; L237-L240 HydrophobicContact CD2-CD1 3.63Å; L237-L240 VanDerWaalsContact O-CB 3.29Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 WeakPolarHBondContact O-CG 3.46Å; L237-L240 PolarHBondContact O-N 2.89Å; L237-W246 HydrophobicContact CB-CH2 4.19Å; L237-W246 HydrophobicContact CB-CZ2 4.07Å; L237-W246 HydrophobicContact CD1-CH2 4.5Å; L237-W246 WeakPolarHBondContact O-CZ2 3.44Å
238L83.9Confident88.2Confident45 Ų4570.8 Ų70.824%0.23638%0.383CS..G310 helixtrans-49.6-36.5-174.3-77169.1000113.5P233 P234 L240P233-L238 HydrophobicContact CG-CD2 3.73Å; P233-L238 HydrophobicContact CG-CG 4.44Å; P234-L238 PolarHBondContact O-N 3.14Å; L238-L240 VanDerWaalsContact C-N 3.31Å; L238-L240 PolarHBondContact O-N 3.05Å
239A85.1Confident88.4Confident98 Ų9868.3 Ų68.381%0.8136%0.356SS*.G310 helixtrans-78.4-2.5-178.900000115.5L237L237-A239 PolarHBondContact O-N 3.36Å
240L83.9Confident88.5Confident87 Ų8769.6 Ų69.646%0.45536%0.358SS..G310 helixtrans-90.8-16.6-172.9-58.9176.9000114.5L202 L237 L238L202-L240 HydrophobicContact CD1-CD1 3.97Å; L237-L240 HydrophobicContact CB-CD1 4.22Å; L237-L240 HydrophobicContact CD2-CD1 3.63Å; L237-L240 VanDerWaalsContact O-CB 3.29Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 WeakPolarHBondContact O-CG 3.46Å; L237-L240 PolarHBondContact O-N 2.89Å; L238-L240 VanDerWaalsContact C-N 3.31Å; L238-L240 PolarHBondContact O-N 3.05Å
241R86.2Confident88.4Confident80 Ų8069.8 Ų69.830%0.30235%0.353SS..SBendtrans-147.6164.5-174.7-79.8-178.6179.4-97.414.5110.3G198 E200 E245 W246G198-R241 VanDerWaalsContact O-CZ 3.25Å; G198-R241 PolarHBondContact O-NE 3.13Å; G198-R241 PolarHBondContact O-NH2 3.01Å; E200-R241 IonicContact OE2-NH2 2.6Å; R241-E245 VanDerWaalsContact CA-OE2 3.28Å; R241-E245 WeakPolarHBondContact CA-OE2 3.43Å; R241-E245 HydrophobicContact CB-CB 4.04Å; R241-E245 WeakPolarHBondContact CB-OE2 3.06Å; R241-E245 HydrophobicContact CG-CB 4.3Å; R241-E245 IonicContact NH1-OE1 3.96Å; R241-W246 HydrophobicContact CB-CD2 4.18Å; R241-W246 HydrophobicContact CB-CG 4.46Å; R241-W246 HydrophobicContact CB-CZ2 3.92Å; R241-W246 HydrophobicContact CG-CZ2 4.22Å
242S89.3Confident88.3Confident47 Ų4772.2 Ų72.233%0.32936%0.359SS..  trans-78.8163.9170.790.60000112.5E244 E245 W246S242-E244 WeakPolarHBondContact CB-OE2 3.45Å; S242-E244 PolarHBondContact O-N 3.29Å; S242-E244 PolarHBondContact OG-N 2.95Å; S242-E244 PolarHBondContact OG-OE2 3.01Å; S242-E245 PolarHBondContact N-OE2 3.37Å; S242-E245 PolarHBondContact O-N 3.22Å; S242-E245 PolarHBondContact OG-N 3.22Å; S242-W246 VanDerWaalsContact O-CD1 3.25Å; S242-W246 PolarHBondContact O-N 3.34Å
243E90Very high88.3Confident111 Ų11165.9 Ų65.952%0.51934%0.336SS..Hα-helixtrans-65.6-28.4175.9-80.5-69.2176.300112.6W246 E247 R250E243-W246 PolarHBondContact O-N 3.34Å; E243-E247 WeakPolarHBondContact O-CB 3.39Å; E243-E247 PolarHBondContact O-N 3.47Å; E243-R250 IonicContact OE2-NH2 2.71Å; E243-R250 PolarHBondContact OE2-NH2 3.24Å; E243-R250 VanDerWaalsContact OE2-NH2 3.14Å
244E89.7Confident88.3Confident137 Ų13769 Ų6964%0.6436%0.358SS*.Hα-helixtrans-66.5-42.6172-56.185.4171.800111.5S242 W246 E247 E248S242-E244 WeakPolarHBondContact CB-OE2 3.45Å; S242-E244 PolarHBondContact O-N 3.29Å; S242-E244 PolarHBondContact OG-N 2.95Å; S242-E244 PolarHBondContact OG-OE2 3.01Å; E244-W246 VanDerWaalsContact C-N 3.34Å; E244-E247 WeakPolarHBondContact O-CB 3.21Å; E244-E247 PolarHBondContact O-N 3.05Å; E244-E248 PolarHBondContact O-N 3.25Å; E244-E248 VanDerWaalsContact O-N 3.1Å
245E90.2Very high88.4Confident79 Ų7974.3 Ų74.337%0.36939%0.385SS..Hα-helixtrans-66.9-34.9174.2-64.2179.8114.600112R241 S242 E248 V249R241-E245 VanDerWaalsContact CA-OE2 3.28Å; R241-E245 WeakPolarHBondContact CA-OE2 3.43Å; R241-E245 HydrophobicContact CB-CB 4.04Å; R241-E245 WeakPolarHBondContact CB-OE2 3.06Å; R241-E245 HydrophobicContact CG-CB 4.3Å; R241-E245 IonicContact NH1-OE1 3.96Å; S242-E245 PolarHBondContact N-OE2 3.37Å; S242-E245 PolarHBondContact O-N 3.22Å; S242-E245 PolarHBondContact OG-N 3.22Å; E245-E248 PolarHBondContact O-N 2.69Å; E245-V249 WeakPolarHBondContact O-CG2 3.36Å; E245-V249 PolarHBondContact O-N 2.94Å
246W92.1Very high88.6Confident3 Ų372.2 Ų72.21%0.01137%0.368CS..Hα-helixtrans-71.5-29.9172.9-72.1129.1000113W180 P233 L237 R241 S242 E243 E244 V249 R250W180-W246 AromaticContact CH2-CE3 3.97Å; W180-W246 HydrophobicContact CH2-CE3 3.97Å; W180-W246 AromaticContact CZ2-CE3 3.57Å; W180-W246 HydrophobicContact CZ2-CE3 3.57Å; W180-W246 AromaticContact CZ2-CZ3 3.7Å; W180-W246 HydrophobicContact CZ2-CZ3 3.7Å; P233-W246 HydrophobicContact CB-CD2 4.25Å; P233-W246 HydrophobicContact CB-CE3 4.14Å; P233-W246 HydrophobicContact CB-CH2 4.15Å; P233-W246 HydrophobicContact CB-CZ2 4.24Å; P233-W246 HydrophobicContact CB-CZ3 4.09Å; P233-W246 HydrophobicContact CG-CD2 3.78Å; P233-W246 HydrophobicContact CG-CE3 4.11Å; P233-W246 HydrophobicContact CG-CG 4.1Å; P233-W246 HydrophobicContact CG-CZ2 4.36Å; L237-W246 HydrophobicContact CB-CH2 4.19Å; L237-W246 HydrophobicContact CB-CZ2 4.07Å; L237-W246 HydrophobicContact CD1-CH2 4.5Å; L237-W246 WeakPolarHBondContact O-CZ2 3.44Å; R241-W246 HydrophobicContact CB-CD2 4.18Å; R241-W246 HydrophobicContact CB-CG 4.46Å; R241-W246 HydrophobicContact CB-CZ2 3.92Å; R241-W246 HydrophobicContact CG-CZ2 4.22Å; S242-W246 VanDerWaalsContact O-CD1 3.25Å; S242-W246 PolarHBondContact O-N 3.34Å; E243-W246 PolarHBondContact O-N 3.34Å; E244-W246 VanDerWaalsContact C-N 3.34Å; W246-V249 HydrophobicContact CE3-CB 4.32Å; W246-V249 HydrophobicContact CE3-CG2 4.33Å; W246-V249 PolarHBondContact O-N 2.76Å; W246-R250 WeakPolarHBondContact O-CB 3.37Å; W246-R250 VanDerWaalsContact O-CG 3.31Å; W246-R250 WeakPolarHBondContact O-CG 3.46Å; W246-R250 PolarHBondContact O-N 2.79Å; W246-R250 PolarHBondContact O-NE 3Å
247E91.8Very high88.6Confident77 Ų7771.5 Ų71.536%0.3637%0.374SS..Hα-helixtrans-63.9-45.8170.4-172.168.1-113.400110.7E243 E244 V249 R250 Q251E243-E247 WeakPolarHBondContact O-CB 3.39Å; E243-E247 PolarHBondContact O-N 3.47Å; E244-E247 WeakPolarHBondContact O-CB 3.21Å; E244-E247 PolarHBondContact O-N 3.05Å; E247-V249 VanDerWaalsContact C-N 3.26Å; E247-V249 PolarHBondContact O-N 2.75Å; E247-R250 PolarHBondContact O-N 3.22Å; E247-R250 IonicContact OE1-NH1 1.8Å; E247-R250 PolarHBondContact OE1-NH1 3.42Å; E247-R250 IonicContact OE2-CZ 3.8Å; E247-R250 IonicContact OE2-NH1 2.66Å; E247-R250 PolarHBondContact OE2-NH1 3Å; E247-R250 IonicContact OE2-NH2 3.8Å; E247-R250 PolarHBondContact OE2-NH2 3.05Å; E247-Q251 WeakPolarHBondContact O-CG 3.31Å; E247-Q251 PolarHBondContact O-N 2.94Å; E247-Q251 PolarHBondContact OE1-NE2 3.19Å
248E92.1Very high88.2Confident147 Ų14776.2 Ų76.269%0.68740%0.395SS*.Hα-helixtrans-56.8-39.7175-69.8-175.7177.400112.2E244 E245 R252E244-E248 PolarHBondContact O-N 3.25Å; E244-E248 VanDerWaalsContact O-N 3.1Å; E245-E248 PolarHBondContact O-N 2.69Å; E248-R252 PolarHBondContact O-N 2.96Å
249V92.6Very high87.7Confident11 Ų1177.4 Ų77.47%0.06740%0.402CS..Hα-helixtrans-69.8-38.7174.6-179.80000111.9W180 L197 E245 W246 E247 Q251 R252 I253W180-V249 HydrophobicContact CH2-CB 4.4Å; W180-V249 HydrophobicContact CH2-CG1 4.07Å; W180-V249 HydrophobicContact CZ2-CB 4.18Å; W180-V249 HydrophobicContact CZ2-CG1 3.5Å; W180-V249 VanDerWaalsContact CZ2-CG1 3.5Å; L197-V249 HydrophobicContact CB-CG1 4.04Å; E245-V249 WeakPolarHBondContact O-CG2 3.36Å; E245-V249 PolarHBondContact O-N 2.94Å; W246-V249 HydrophobicContact CE3-CB 4.32Å; W246-V249 HydrophobicContact CE3-CG2 4.33Å; W246-V249 PolarHBondContact O-N 2.76Å; E247-V249 VanDerWaalsContact C-N 3.26Å; E247-V249 PolarHBondContact O-N 2.75Å; V249-Q251 PolarHBondContact O-N 3.02Å; V249-R252 PolarHBondContact O-N 3.14Å; V249-I253 HydrophobicContact CG1-CD1 4.03Å; V249-I253 HydrophobicContact CG1-CG1 4.45Å; V249-I253 VanDerWaalsContact O-CG1 3.31Å; V249-I253 WeakPolarHBondContact O-CG1 3.35Å; V249-I253 PolarHBondContact O-N 2.61Å
250R93.6Very high87Confident45 Ų4579.3 Ų79.317%0.1740%0.399CS..Hα-helixtrans-63.9-38175.9-76.9179.6-81.8115.3-11.2112.4W180 L231 E243 W246 E247 S254W180-R250 HydrophobicContact CH2-CG 3.61Å; W180-R250 HydrophobicContact CZ3-CG 3.45Å; W180-R250 VanDerWaalsContact CZ3-CG 3.45Å; L231-R250 HydrophobicContact CB-CG 4.2Å; L231-R250 VanDerWaalsContact O-CD 3.23Å; L231-R250 WeakPolarHBondContact O-CD 3.34Å; E243-R250 IonicContact OE2-NH2 2.71Å; E243-R250 PolarHBondContact OE2-NH2 3.24Å; E243-R250 VanDerWaalsContact OE2-NH2 3.14Å; W246-R250 WeakPolarHBondContact O-CB 3.37Å; W246-R250 VanDerWaalsContact O-CG 3.31Å; W246-R250 WeakPolarHBondContact O-CG 3.46Å; W246-R250 PolarHBondContact O-N 2.79Å; W246-R250 PolarHBondContact O-NE 3Å; E247-R250 PolarHBondContact O-N 3.22Å; E247-R250 IonicContact OE1-NH1 1.8Å; E247-R250 PolarHBondContact OE1-NH1 3.42Å; E247-R250 IonicContact OE2-CZ 3.8Å; E247-R250 IonicContact OE2-NH1 2.66Å; E247-R250 PolarHBondContact OE2-NH1 3Å; E247-R250 IonicContact OE2-NH2 3.8Å; E247-R250 PolarHBondContact OE2-NH2 3.05Å; R250-S254 WeakPolarHBondContact O-CB 3.19Å; R250-S254 PolarHBondContact O-N 3.04Å; R250-S254 VanDerWaalsContact O-N 3.1Å; R250-S254 PolarHBondContact O-OG 2.71Å
251Q91.5Very high86.1Confident99 Ų9976 Ų7646%0.46338%0.384SS..Hα-helixtrans-66.4-46.7171.3-59.4-56-45.900110.8E247 V249 I253 S254 D255E247-Q251 WeakPolarHBondContact O-CG 3.31Å; E247-Q251 PolarHBondContact O-N 2.94Å; E247-Q251 PolarHBondContact OE1-NE2 3.19Å; V249-Q251 PolarHBondContact O-N 3.02Å; Q251-I253 VanDerWaalsContact C-N 3.3Å; Q251-I253 PolarHBondContact O-N 2.91Å; Q251-S254 CarbonylContact O-C 3.59Å; Q251-S254 WeakPolarHBondContact O-CA 3.43Å; Q251-S254 WeakPolarHBondContact O-CB 3.43Å; Q251-S254 PolarHBondContact O-N 3.07Å; Q251-D255 PolarHBondContact O-N 3.39Å
252R91.9Very high85.5Confident87 Ų8772.5 Ų72.533%0.32837%0.371SS..Hα-helixtrans-55.1-42.7174.8175.7180166.1-150.5-5.3112.6Y167 E183 E200 E248 V249 S254 D255 L256Y167-R252 PolarHBondContact OH-NH2 2.95Å; Y167-R252 VanDerWaalsContact OH-NH2 3.12Å; E183-R252 IonicContact OE2-NH2 3.73Å; E200-R252 IonicContact OE1-CZ 3.68Å; E200-R252 IonicContact OE1-NH1 3.14Å; E200-R252 PolarHBondContact OE1-NH1 3.15Å; E248-R252 PolarHBondContact O-N 2.96Å; V249-R252 PolarHBondContact O-N 3.14Å; R252-S254 VanDerWaalsContact C-N 3.35Å; R252-D255 PolarHBondContact O-N 3.32Å; R252-L256 WeakPolarHBondContact O-CG 3.29Å; R252-L256 PolarHBondContact O-N 2.83Å
253I91Very high84.8Confident5 Ų572.2 Ų72.23%0.02637%0.367CS..Hα-helixtrans-61.8-44.6176.1-68.2162.8000110.4W180 L197 L231 V249 Q251 D255 L256W180-I253 HydrophobicContact CD2-CD1 4.04Å; W180-I253 HydrophobicContact CE3-CD1 4.04Å; W180-I253 HydrophobicContact CH2-CD1 4.12Å; W180-I253 HydrophobicContact CZ2-CD1 4.05Å; W180-I253 HydrophobicContact CZ3-CD1 4.1Å; L197-I253 HydrophobicContact CB-CD1 4.49Å; L197-I253 HydrophobicContact CB-CG1 4.49Å; L197-I253 HydrophobicContact CD1-CD1 4.45Å; L197-I253 HydrophobicContact CD1-CG1 3.74Å; L231-I253 HydrophobicContact CD1-CB 4.17Å; L231-I253 HydrophobicContact CD1-CG2 3.67Å; L231-I253 HydrophobicContact CD2-CG2 4.13Å; V249-I253 HydrophobicContact CG1-CD1 4.03Å; V249-I253 HydrophobicContact CG1-CG1 4.45Å; V249-I253 VanDerWaalsContact O-CG1 3.31Å; V249-I253 WeakPolarHBondContact O-CG1 3.35Å; V249-I253 PolarHBondContact O-N 2.61Å; Q251-I253 VanDerWaalsContact C-N 3.3Å; Q251-I253 PolarHBondContact O-N 2.91Å; I253-D255 VanDerWaalsContact C-N 3.27Å; I253-D255 PolarHBondContact O-N 2.95Å; I253-L256 WeakPolarHBondContact O-CB 3.28Å; I253-L256 WeakPolarHBondContact O-CG 3.35Å; I253-L256 PolarHBondContact O-N 3.42Å
254S88.2Confident83.9Confident72 Ų7269.3 Ų69.350%0.50336%0.362SS..Hα-helixtrans-68.4-23.9-179.3-54.40000113.8R250 Q251 R252R250-S254 WeakPolarHBondContact O-CB 3.19Å; R250-S254 PolarHBondContact O-N 3.04Å; R250-S254 VanDerWaalsContact O-N 3.1Å; R250-S254 PolarHBondContact O-OG 2.71Å; Q251-S254 CarbonylContact O-C 3.59Å; Q251-S254 WeakPolarHBondContact O-CA 3.43Å; Q251-S254 WeakPolarHBondContact O-CB 3.43Å; Q251-S254 PolarHBondContact O-N 3.07Å; R252-S254 VanDerWaalsContact C-N 3.35Å
255D87.6Confident83.1Confident134 Ų13463 Ų6372%0.71733%0.333SS*.THydrogen-bonded Turntrans-91.11.4176.4-75.5-25.4000113.5Q251 R252 I253Q251-D255 PolarHBondContact O-N 3.39Å; R252-D255 PolarHBondContact O-N 3.32Å; I253-D255 VanDerWaalsContact C-N 3.27Å; I253-D255 PolarHBondContact O-N 2.95Å
256L85.7Confident82.4Confident30 Ų3059.6 Ų59.616%0.15732%0.317CS..SBendtrans-67.3143.2176.6-70.3177.3000111.4Y167 L197 R252 I253 E258Y167-L256 HydrophobicContact CD1-CD1 4.02Å; Y167-L256 HydrophobicContact CD1-CD2 4.35Å; Y167-L256 HydrophobicContact CD2-CD1 4.16Å; Y167-L256 HydrophobicContact CD2-CD2 3.69Å; Y167-L256 HydrophobicContact CD2-CG 4.49Å; Y167-L256 HydrophobicContact CE1-CD2 4.31Å; Y167-L256 HydrophobicContact CE2-CD2 3.65Å; Y167-L256 HydrophobicContact CG-CD1 3.71Å; Y167-L256 HydrophobicContact CG-CD2 4.04Å; L197-L256 HydrophobicContact CD1-CD1 4.21Å; R252-L256 WeakPolarHBondContact O-CG 3.29Å; R252-L256 PolarHBondContact O-N 2.83Å; I253-L256 WeakPolarHBondContact O-CB 3.28Å; I253-L256 WeakPolarHBondContact O-CG 3.35Å; I253-L256 PolarHBondContact O-N 3.42Å; L256-E258 PolarHBondContact O-N 2.96Å
257P79.2Confident81.4Confident106 Ų10662.3 Ų62.369%0.68834%0.34SS*.PPolyproline II helixtrans-70.1126.6174.129.4-33.4000110.7D259P257-D259 PolarHBondContact O-N 3.49Å
258E76.9Confident80.4Confident100 Ų10063.2 Ų63.247%0.46734%0.343SS..PPolyproline II helixtrans-68.8120.7167.3-66163.3-179.400108K225 L256K225-E258 IonicContact NZ-OE1 3.69Å; K225-E258 PolarHBondContact NZ-OE1 3.24Å; L256-E258 PolarHBondContact O-N 2.96Å
259D73.5Confident79.3Confident71 Ų7157.7 Ų57.738%0.3832%0.318SS..  trans-95.496.6173.2-177.3-41.3000108.2Q153 P257 A261 L262 T263Q153-D259 PolarHBondContact NE2-OD1 2.9Å; P257-D259 PolarHBondContact O-N 3.49Å; D259-A261 PolarHBondContact O-N 3.22Å; D259-A261 PolarHBondContact OD1-N 3.01Å; D259-A261 VanDerWaalsContact OD1-N 3.12Å; D259-L262 HydrophobicContact CB-CB 3.91Å; D259-L262 PolarHBondContact O-N 3.4Å; D259-L262 PolarHBondContact OD1-N 2.7Å; D259-T263 WeakPolarHBondContact O-CB 3.45Å; D259-T263 PolarHBondContact O-N 3.21Å; D259-T263 PolarHBondContact O-OG1 2.9Å; D259-T263 VanDerWaalsContact O-OG1 3.05Å
260D69.6Low78.3Confident137 Ų13760 Ų6073%0.73333%0.328SS*.Hα-helixtrans-46.7-33.9-176.4-67.8-30.5000113.8A264D260-A264 WeakPolarHBondContact O-CB 3.42Å; D260-A264 PolarHBondContact O-N 3.03Å
261A66Low77.2Confident17 Ų1761.9 Ų61.914%0.1435%0.346CS..Hα-helixtrans-92.9-32.5-172.300000113.1D259 T263 A264 E265D259-A261 PolarHBondContact O-N 3.22Å; D259-A261 PolarHBondContact OD1-N 3.01Å; D259-A261 VanDerWaalsContact OD1-N 3.12Å; A261-T263 VanDerWaalsContact C-N 3.3Å; A261-A264 PolarHBondContact O-N 3.01Å; A261-E265 PolarHBondContact O-N 3.47Å
262L72.4Confident76.5Confident7 Ų761.9 Ų61.94%0.03736%0.363CS..Hα-helixtrans-60.7-44.7162.6-175.170000110L161 L162 D259 A264 L266L161-L262 HydrophobicContact CB-CD1 3.84Å; L162-L262 HydrophobicContact CD2-CD1 3.89Å; L162-L262 HydrophobicContact CG-CD1 4.02Å; D259-L262 HydrophobicContact CB-CB 3.91Å; D259-L262 PolarHBondContact O-N 3.4Å; D259-L262 PolarHBondContact OD1-N 2.7Å; L262-A264 PolarHBondContact O-N 3.16Å; L262-L266 HydrophobicContact CD1-CD1 3.68Å; L262-L266 HydrophobicContact CG-CD1 4.14Å; L262-L266 WeakPolarHBondContact O-CB 3.24Å; L262-L266 WeakPolarHBondContact O-CD1 3.19Å; L262-L266 PolarHBondContact O-N 3.1Å
263T75.6Confident76.2Confident41 Ų4159 Ų5925%0.25236%0.355SS..Hα-helixtrans-57.8-46.5176.2-63.50000112P220 D259 A261 A267P220-T263 HydrophobicContact CB-CG2 4.24Å; P220-T263 WeakPolarHBondContact CB-OG1 3.49Å; P220-T263 HydrophobicContact CG-CG2 3.88Å; D259-T263 WeakPolarHBondContact O-CB 3.45Å; D259-T263 PolarHBondContact O-N 3.21Å; D259-T263 PolarHBondContact O-OG1 2.9Å; D259-T263 VanDerWaalsContact O-OG1 3.05Å; A261-T263 VanDerWaalsContact C-N 3.3Å; T263-A267 WeakPolarHBondContact O-CB 3.01Å; T263-A267 PolarHBondContact O-N 3.41Å
264A71.3Confident76Confident50 Ų5060.6 Ų60.641%0.41337%0.369SS..Hα-helixtrans-62.7-45-178.800000113.7D260 A261 L262 K268D260-A264 WeakPolarHBondContact O-CB 3.42Å; D260-A264 PolarHBondContact O-N 3.03Å; A261-A264 PolarHBondContact O-N 3.01Å; L262-A264 PolarHBondContact O-N 3.16Å; A264-K268 VanDerWaalsContact O-CB 3.27Å; A264-K268 WeakPolarHBondContact O-CB 3.46Å; A264-K268 PolarHBondContact O-N 2.6Å
265E71.6Confident76.3Confident6 Ų661.3 Ų61.33%0.02837%0.367CS..Hα-helixtrans-77.8-37-178.7-67.1-64.4131.100112.4L148 P158 L161 A261 K268 D269L148-E265 HydrophobicContact CD2-CG 4.43Å; P158-E265 HydrophobicContact CG-CB 4.38Å; L161-E265 HydrophobicContact CD1-CB 4.07Å; L161-E265 HydrophobicContact CD1-CG 4.11Å; A261-E265 PolarHBondContact O-N 3.47Å; E265-K268 PolarHBondContact O-N 3.43Å; E265-K268 IonicContact OE1-NZ 2.85Å; E265-K268 PolarHBondContact OE1-NZ 3.32Å; E265-K268 IonicContact OE2-NZ 3.18Å; E265-K268 PolarHBondContact OE2-NZ 2.85Å; E265-D269 PolarHBondContact O-N 2.86Å
266L75.5Confident76.7Confident6 Ų656.3 Ų56.33%0.03134%0.339CS..Hα-helixtrans-62.6-43.5173.3-94.562.8000112L162 L218 P220 L262 K268 D269 Q270L162-L266 HydrophobicContact CD1-CD1 4.22Å; L162-L266 HydrophobicContact CG-CD1 4.41Å; L218-L266 HydrophobicContact CD2-CD2 3.77Å; P220-L266 HydrophobicContact CB-CD2 4.34Å; L262-L266 HydrophobicContact CD1-CD1 3.68Å; L262-L266 HydrophobicContact CG-CD1 4.14Å; L262-L266 WeakPolarHBondContact O-CB 3.24Å; L262-L266 WeakPolarHBondContact O-CD1 3.19Å; L262-L266 PolarHBondContact O-N 3.1Å; L266-K268 VanDerWaalsContact C-N 3.28Å; L266-K268 PolarHBondContact O-N 3.24Å; L266-D269 PolarHBondContact O-N 2.77Å; L266-Q270 WeakPolarHBondContact O-CG 3.47Å; L266-Q270 PolarHBondContact O-N 2.66Å
267A72.4Confident77.2Confident60 Ų6057 Ų5750%0.49635%0.346SS..Hα-helixtrans-68-26.9-178.800000113.5T263T263-A267 WeakPolarHBondContact O-CB 3.01Å; T263-A267 PolarHBondContact O-N 3.41Å
268K69.4Low78Confident96 Ų9652.3 Ų52.342%0.41732%0.315SS..Hα-helixtrans-76-33.7179.8168.9-172.7171.7-165.50113.2G48 A264 E265 L266G48-K268 VanDerWaalsContact CA-NZ 3.27Å; G48-K268 PolarHBondContact O-NZ 2.92Å; A264-K268 VanDerWaalsContact O-CB 3.27Å; A264-K268 WeakPolarHBondContact O-CB 3.46Å; A264-K268 PolarHBondContact O-N 2.6Å; E265-K268 PolarHBondContact O-N 3.43Å; E265-K268 IonicContact OE1-NZ 2.85Å; E265-K268 PolarHBondContact OE1-NZ 3.32Å; E265-K268 IonicContact OE2-NZ 3.18Å; E265-K268 PolarHBondContact OE2-NZ 2.85Å; L266-K268 VanDerWaalsContact C-N 3.28Å; L266-K268 PolarHBondContact O-N 3.24Å
269D68.8Low79Confident32 Ų3254 Ų5417%0.17132%0.321CS..Hα-helixtrans-85-13.5-179.6-101.91.4000113.3Q43 Y213 L214 E265 L266Q43-D269 PolarHBondContact NE2-OD1 3.01Å; Y213-D269 VanDerWaalsContact CE2-OD2 3.31Å; Y213-D269 WeakPolarHBondContact CE2-OD2 3.21Å; Y213-D269 PolarHBondContact OH-OD2 3.45Å; L214-D269 HydrophobicContact CD2-CB 3.59Å; E265-D269 PolarHBondContact O-N 2.86Å; L266-D269 PolarHBondContact O-N 2.77Å
270Q71.8Confident80.1Confident59 Ų5955.7 Ų55.728%0.27633%0.33SS..SBendtrans-72.4131.8-179.6-80.5-169.9-100113.2L218 H219 L266 A272L218-Q270 PolarHBondContact O-NE2 3.29Å; H219-Q270 PolarHBondContact ND1-NE2 3.46Å; H219-Q270 PolarHBondContact ND1-OE1 3.32Å; L266-Q270 WeakPolarHBondContact O-CG 3.47Å; L266-Q270 PolarHBondContact O-N 2.66Å; Q270-A272 PolarHBondContact O-N 2.97Å
271P71.3Confident81.3Confident84 Ų8451 Ų5155%0.54531%0.314SS..  trans-71.3130.9178.228.9-34.1000111.9V273P271-V273 PolarHBondContact O-N 3.38Å; P271-V273 VanDerWaalsContact O-N 3.17Å
272A76.8Confident82.9Confident99 Ų9950.8 Ų50.882%0.81831%0.31SS*.  trans-66.4113.5178.500000111.8Q270 A274Q270-A272 PolarHBondContact O-N 2.97Å; A272-A274 PolarHBondContact O-N 3.43Å
273V84.6Confident84.1Confident28 Ų2851 Ų5117%0.1731%0.311CS..PPolyproline II helixtrans-69.9119.5179.4-178.30000111.3P271 K307 H332P271-V273 PolarHBondContact O-N 3.38Å; P271-V273 VanDerWaalsContact O-N 3.17Å; V273-K307 HydrophobicContact CB-CD 4.38Å; V273-K307 HydrophobicContact CG1-CB 3.9Å; V273-K307 HydrophobicContact CG1-CD 4.28Å; V273-K307 HydrophobicContact CG1-CG 4.36Å; V273-K307 PolarHBondContact O-NZ 2.77Å; V273-H332 HydrophobicContact CG1-CB 3.49Å; V273-H332 VanDerWaalsContact CG1-CB 3.49Å
274A88.7Confident85.1Confident38 Ų3849 Ų4931%0.31430%0.299SS..PPolyproline II helixtrans-91.9150.7-179.100000113.4A272 R333A272-A274 PolarHBondContact O-N 3.43Å; A274-R333 WeakPolarHBondContact O-CB 3.37Å
275D94Very high86.4Confident87 Ų8746.7 Ų46.747%0.46528%0.279SS..PPolyproline II helixtrans-71.8145.1-172.3-40.7-39.4000112.4E306 R333D275-E306 CarbonylContact C-O 3.51Å; D275-E306 VanDerWaalsContact CA-O 3.26Å; D275-E306 WeakPolarHBondContact CA-O 3.05Å; D275-R333 WeakPolarHBondContact O-CD 3.24Å; D275-R333 PolarHBondContact O-NH1 3.26Å
276H95.1Very high87.6Confident28 Ų2846.4 Ų46.413%0.1328%0.278CS..  trans-115.6171.5-173.26845.2000114.5F278 D305 E306 K307 F309 R333H276-F278 HydrophobicContact CB-CD2 4.03Å; H276-D305 PolarHBondContact CE1-O 2.85Å; H276-E306 PolarHBondContact N-O 2.67Å; H276-K307 PolarHBondContact CD2-O 3.01Å; H276-K307 VanDerWaalsContact CD2-O 3.3Å; H276-F309 AromaticContact CD2-CD1 3.27Å; H276-F309 WeakPolarHBondContact CD2-CD1 3.43Å; H276-F309 AromaticContact CD2-CE1 3.72Å; H276-F309 AromaticContact NE2-CD1 3.48Å; H276-F309 WeakPolarHBondContact NE2-CD1 3.31Å; H276-R333 HydrophobicContact CB-CB 4.1Å
277C95.8Very high88.5Confident44 Ų4446.5 Ų46.530%0.29728%0.279SS..  trans-120.813.5174.354.40000115.7H379 C380C277-H379 PolarHBondContact SG-CD2 3.48Å; C277-C380 HydrophobicContact CB-CB 4.34Å; C277-C380 WeakPolarHBondContact CB-SG 3.38Å; C277-C380 PolarHBondContact O-SG 3.43Å; C277-C380 WeakPolarHBondContact SG-CA 3.27Å; C277-C380 WeakPolarHBondContact SG-CB 3.38Å; C277-C380 CovalentContact SG-SG 2.05Å; C277-C380 PolarHBondContact SG-SG 2.94Å
278F97.2Very high89.4Confident8 Ų844.4 Ų44.44%0.03526%0.259CS..  trans-63.6157.3172.6-66.8-78.4000112.1H276 M282 L284 V300 F309 I338 A376 C380 F381H276-F278 HydrophobicContact CB-CD2 4.03Å; F278-M282 HydrophobicContact CD1-SD 4.48Å; F278-L284 HydrophobicContact CD1-CD2 4.39Å; F278-L284 HydrophobicContact CE1-CD2 3.96Å; F278-V300 HydrophobicContact CB-CG1 4.44Å; F278-V300 HydrophobicContact CB-CG2 4.31Å; F278-V300 HydrophobicContact CD1-CG2 3.98Å; F278-V300 HydrophobicContact CG-CG2 4.41Å; F278-F309 HydrophobicContact CB-CD2 4.27Å; F278-F309 HydrophobicContact CB-CE2 4.4Å; F278-F309 HydrophobicContact CB-CG 4.33Å; F278-F309 HydrophobicContact CD1-CE2 4.32Å; F278-F309 HydrophobicContact CD2-CD1 4.11Å; F278-F309 HydrophobicContact CD2-CD2 4.38Å; F278-F309 AromaticContact CD2-CE1 3.46Å; F278-F309 HydrophobicContact CD2-CE1 3.46Å; F278-F309 VanDerWaalsContact CD2-CE1 3.46Å; F278-F309 AromaticContact CD2-CE2 3.78Å; F278-F309 HydrophobicContact CD2-CE2 3.78Å; F278-F309 AromaticContact CD2-CZ 3.26Å; F278-F309 HydrophobicContact CD2-CZ 3.26Å; F278-F309 AromaticContact CE2-CE1 3.87Å; F278-F309 HydrophobicContact CE2-CE1 3.87Å; F278-F309 HydrophobicContact CE2-CE2 4.1Å; F278-F309 AromaticContact CE2-CZ 3.39Å; F278-F309 HydrophobicContact CE2-CZ 3.39Å; F278-F309 HydrophobicContact CG-CD2 4.28Å; F278-F309 HydrophobicContact CG-CE1 4.26Å; F278-F309 AromaticContact CG-CE2 3.91Å; F278-F309 HydrophobicContact CG-CE2 3.91Å; F278-F309 AromaticContact CG-CZ 3.9Å; F278-F309 HydrophobicContact CG-CZ 3.9Å; F278-F309 HydrophobicContact CZ-CE2 4.49Å; F278-F309 HydrophobicContact CZ-CZ 4.09Å; F278-I338 HydrophobicContact CE2-CD1 4.32Å; F278-I338 HydrophobicContact CZ-CD1 4.11Å; F278-A376 HydrophobicContact CD1-CB 4.1Å; F278-A376 HydrophobicContact CE1-CB 3.8Å; F278-C380 HydrophobicContact CD1-CB 4.26Å; F278-C380 HydrophobicContact CD2-CB 4.22Å; F278-C380 HydrophobicContact CE1-CB 4.03Å; F278-C380 HydrophobicContact CE2-CB 3.95Å; F278-C380 WeakPolarHBondContact CE2-O 3.28Å; F278-C380 HydrophobicContact CG-CB 4.36Å; F278-C380 HydrophobicContact CZ-CB 3.85Å; F278-C380 WeakPolarHBondContact CZ-O 3.49Å; F278-F381 AromaticContact CE1-CE1 3.94Å; F278-F381 HydrophobicContact CE1-CE1 3.94Å; F278-F381 HydrophobicContact CE1-CE2 4.02Å; F278-F381 AromaticContact CE1-CZ 3.61Å; F278-F381 HydrophobicContact CE1-CZ 3.61Å; F278-F381 HydrophobicContact CZ-CD1 4.01Å; F278-F381 HydrophobicContact CZ-CD2 4.45Å; F278-F381 AromaticContact CZ-CE1 3.72Å; F278-F381 HydrophobicContact CZ-CE1 3.72Å; F278-F381 HydrophobicContact CZ-CE2 4.2Å; F278-F381 HydrophobicContact CZ-CG 4.36Å; F278-F381 AromaticContact CZ-CZ 3.83Å; F278-F381 HydrophobicContact CZ-CZ 3.83Å
279K96.9Very high90.2Very high135 Ų13543.4 Ų43.459%0.58726%0.263SS*.  trans-143.7153.4-179.7-56-177.5-170.7170.70110.4G281 M282 V300K279-G281 PolarHBondContact O-N 2.94Å; K279-M282 HydrophobicContact CB-CE 4.05Å; K279-M282 HydrophobicContact CB-CG 4.21Å; K279-M282 HydrophobicContact CB-SD 4.13Å; K279-M282 HydrophobicContact CD-CE 3.97Å; K279-M282 HydrophobicContact CG-CE 3.9Å; K279-M282 HydrophobicContact CG-SD 4.39Å; K279-M282 PolarHBondContact N-SD 2.92Å; K279-M282 VanDerWaalsContact N-SD 3.44Å; K279-M282 WeakPolarHBondContact O-CB 3.38Å; K279-M282 WeakPolarHBondContact O-CG 3.46Å; K279-M282 PolarHBondContact O-N 3.27Å; K279-M282 VanDerWaalsContact O-N 3.15Å; K279-V300 WeakPolarHBondContact O-CB 3.46Å; K279-V300 WeakPolarHBondContact O-CG1 3.33Å
280D96.9Very high91Very high107 Ų10745.2 Ų45.257%0.57228%0.282SS*.THydrogen-bonded Turntrans-49.5134.5172.9-57.3-18.4000111.6M282 K302 V303D280-M282 VanDerWaalsContact C-N 3.3Å; D280-M282 PolarHBondContact O-N 2.82Å; D280-K302 WeakPolarHBondContact OD1-CA 3.25Å; D280-V303 PolarHBondContact OD1-N 2.87Å
281G95.9Very high91.7Very high38 Ų3843.9 Ų43.939%0.39228%0.281SS..THydrogen-bonded Turntrans81.3-5.4179.700000115.6K279 K283 V300K279-G281 PolarHBondContact O-N 2.94Å; G281-K283 PolarHBondContact O-N 3.48Å; G281-V300 PolarHBondContact N-O 2.99Å
282M98Very high92.7Very high14 Ų1440.7 Ų40.77%0.06926%0.26CS..  trans-65.3129.1173.5-76.3-173.816800111.2F278 K279 D280 V300 E374 A376 P377F278-M282 HydrophobicContact CD1-SD 4.48Å; K279-M282 HydrophobicContact CB-CE 4.05Å; K279-M282 HydrophobicContact CB-CG 4.21Å; K279-M282 HydrophobicContact CB-SD 4.13Å; K279-M282 HydrophobicContact CD-CE 3.97Å; K279-M282 HydrophobicContact CG-CE 3.9Å; K279-M282 HydrophobicContact CG-SD 4.39Å; K279-M282 PolarHBondContact N-SD 2.92Å; K279-M282 VanDerWaalsContact N-SD 3.44Å; K279-M282 WeakPolarHBondContact O-CB 3.38Å; K279-M282 WeakPolarHBondContact O-CG 3.46Å; K279-M282 PolarHBondContact O-N 3.27Å; K279-M282 VanDerWaalsContact O-N 3.15Å; D280-M282 VanDerWaalsContact C-N 3.3Å; D280-M282 PolarHBondContact O-N 2.82Å; M282-V300 HydrophobicContact CB-CB 4.35Å; M282-V300 HydrophobicContact CB-CG2 4.24Å; M282-V300 PolarHBondContact O-N 2.88Å; M282-E374 WeakPolarHBondContact CA-O 3.21Å; M282-A376 HydrophobicContact CB-CB 4.25Å; M282-A376 HydrophobicContact SD-CB 4.37Å; M282-P377 HydrophobicContact CE-CG 4.24Å
283K97.8Very high93.5Very high11 Ų1139.3 Ų39.35%0.04824%0.239CC..EExtended strand (participates in β ladder)trans-93.7141.6174.6-71.9-166168.3-64.40112.9G281 A298 T299 D314 W364 Y367 L368 C371 A373 E374 A375 A376G281-K283 PolarHBondContact O-N 3.48Å; K283-A298 WeakPolarHBondContact CA-O 3.42Å; K283-T299 PolarHBondContact NZ-OG1 3.17Å; K283-D314 IonicContact NZ-OD1 3.47Å; K283-D314 PolarHBondContact NZ-OD1 3.37Å; K283-D314 VanDerWaalsContact NZ-OD1 3.08Å; K283-D314 IonicContact NZ-OD2 3.49Å; K283-D314 PolarHBondContact NZ-OD2 3.49Å; K283-W364 HydrophobicContact CB-CH2 4.14Å; K283-W364 HydrophobicContact CB-CZ3 3.84Å; K283-W364 HydrophobicContact CD-CZ3 4.21Å; K283-Y367 HydrophobicContact CD-CD1 4.15Å; K283-Y367 HydrophobicContact CD-CE1 3.7Å; K283-Y367 PolarHBondContact NZ-OH 3.46Å; K283-L368 HydrophobicContact CB-CD2 4Å; K283-L368 HydrophobicContact CD-CD2 4.22Å; K283-L368 HydrophobicContact CG-CD2 4.48Å; K283-C371 HydrophobicContact CD-CB 4.48Å; K283-C371 VanDerWaalsContact CE-SG 3.55Å; K283-A373 HydrophobicContact CD-CB 4.18Å; K283-A373 HydrophobicContact CG-CB 4.19Å; K283-E374 PolarHBondContact N-O 2.71Å; K283-A375 CarbonylContact O-C 3.54Å; K283-A375 WeakPolarHBondContact O-CA 3.35Å; K283-A376 PolarHBondContact O-N 3.39Å
284L97.8Very high93.9Very high0 Ų039 Ų390%024%0.238CC..EExtended strand (participates in β ladder)trans-143.8171.9-178.556.679.8000110.7F278 A286 P297 A298 V300 V311 I338 F339 W364 A376 F381F278-L284 HydrophobicContact CD1-CD2 4.39Å; F278-L284 HydrophobicContact CE1-CD2 3.96Å; L284-A286 HydrophobicContact CD1-CB 3.83Å; L284-P297 WeakPolarHBondContact O-CA 3.22Å; L284-A298 HydrophobicContact CD1-CB 3.95Å; L284-A298 PolarHBondContact N-O 2.82Å; L284-A298 PolarHBondContact O-N 2.72Å; L284-V300 HydrophobicContact CD2-CG2 3.77Å; L284-V311 HydrophobicContact CD1-CG1 4.04Å; L284-V311 HydrophobicContact CD2-CG2 4.25Å; L284-I338 HydrophobicContact CD1-CB 4.38Å; L284-I338 HydrophobicContact CD1-CG2 4.29Å; L284-F339 WeakPolarHBondContact CB-O 3.39Å; L284-W364 WeakPolarHBondContact O-CH2 3.32Å; L284-A376 HydrophobicContact CB-CB 4.11Å; L284-F381 HydrophobicContact CB-CZ 3.98Å; L284-F381 HydrophobicContact CD2-CZ 4.35Å
285E97.4Very high94.2Very high0 Ų037.3 Ų37.30%022%0.223CC..EExtended strand (participates in β ladder)trans-94.4139.3167.1-74.2177.6-159.100108.6I295 F339 Q342 W343 S344 L351 W364E285-I295 HydrophobicContact CB-CG2 3.89Å; E285-I295 HydrophobicContact CG-CG2 4.47Å; E285-F339 HydrophobicContact CB-CB 4.06Å; E285-F339 PolarHBondContact N-O 2.9Å; E285-F339 PolarHBondContact O-N 2.98Å; E285-Q342 WeakPolarHBondContact OE1-CA 3.42Å; E285-Q342 PolarHBondContact OE1-N 3.01Å; E285-W343 PolarHBondContact OE1-N 2.87Å; E285-W343 PolarHBondContact OE2-N 3Å; E285-S344 PolarHBondContact OE1-OG 3.39Å; E285-S344 WeakPolarHBondContact OE2-CB 3.45Å; E285-S344 PolarHBondContact OE2-N 3.48Å; E285-S344 PolarHBondContact OE2-OG 3.12Å; E285-L351 HydrophobicContact CG-CD1 3.9Å; E285-L351 HydrophobicContact CG-CD2 4.29Å; E285-W364 HydrophobicContact CG-CZ2 3.56Å; E285-W364 PolarHBondContact OE1-NE1 3.38Å
286A97Very high94.2Very high0 Ų034.6 Ų34.60%021%0.207CC..EExtended strand (participates in β ladder)trans-142.2155178.100000113.3L284 I295 R296 A298 V311 M313 F329 G337 I338L284-A286 HydrophobicContact CD1-CB 3.83Å; A286-I295 CarbonylContact O-C 3.54Å; A286-I295 WeakPolarHBondContact O-CA 3.15Å; A286-R296 PolarHBondContact N-O 2.91Å; A286-R296 PolarHBondContact O-N 3.26Å; A286-A298 HydrophobicContact CB-CB 3.77Å; A286-V311 HydrophobicContact CB-CG1 4.41Å; A286-M313 HydrophobicContact CB-CE 4.17Å; A286-M313 HydrophobicContact CB-SD 3.9Å; A286-F329 HydrophobicContact CB-CZ 4.13Å; A286-G337 CarbonylContact C-O 3.58Å; A286-G337 WeakPolarHBondContact CA-O 3.19Å; A286-I338 HydrophobicContact CB-CG2 4.43Å
287V94.9Very high94.3Very high9 Ų933.3 Ų33.36%0.05520%0.2CC..EExtended strand (participates in β ladder)trans-99.4132.3161.9172.60000107.6P289 P292 I295 G337 F339 I435V287-P289 WeakPolarHBondContact O-CD 3.19Å; V287-P292 HydrophobicContact CG1-CB 3.53Å; V287-I295 HydrophobicContact CG2-CG1 3.87Å; V287-G337 PolarHBondContact N-O 2.97Å; V287-F339 HydrophobicContact CG2-CE2 3.96Å; V287-F339 HydrophobicContact CG2-CZ 4.46Å; V287-I435 HydrophobicContact CG1-CB 4.32Å; V287-I435 HydrophobicContact CG2-CB 4.13Å; V287-I435 HydrophobicContact CG2-CD1 4.14Å; V287-I435 HydrophobicContact CG2-CG2 3.94Å
288D90.4Very high94.3Very high15 Ų1531.2 Ų31.28%0.0819%0.186CC..  trans-76.1117.2180-178.5-34.1000110A290 A291 P292 R296 M313D288-A290 VanDerWaalsContact C-N 3.26Å; D288-A290 PolarHBondContact O-N 2.92Å; D288-A290 PolarHBondContact OD1-N 3.3Å; D288-A290 VanDerWaalsContact OD1-N 3.08Å; D288-A291 CarbonylContact O-C 3.59Å; D288-A291 PolarHBondContact O-N 2.77Å; D288-A291 VanDerWaalsContact O-N 3.11Å; D288-A291 PolarHBondContact OD1-N 3.12Å; D288-P292 WeakPolarHBondContact O-CA 3.09Å; D288-P292 WeakPolarHBondContact O-CB 2.71Å; D288-P292 WeakPolarHBondContact O-CD 3.44Å; D288-R296 IonicContact OD2-CZ 3.98Å; D288-R296 IonicContact OD2-NH2 3.03Å; D288-R296 PolarHBondContact OD2-NH2 3.33Å; D288-M313 HydrophobicContact CB-CE 4.33Å; D288-M313 HydrophobicContact CB-CG 4.16Å; D288-M313 HydrophobicContact CB-SD 4.25Å
289P87.9Confident94.3Very high76 Ų7631.9 Ų31.949%0.49419%0.191SC..THydrogen-bonded Turntrans-64-27.4-174.9-24.835.6000114.4V287 F329V287-P289 WeakPolarHBondContact O-CD 3.19Å; P289-F329 VanDerWaalsContact CD-CD1 3.5Å; P289-F329 HydrophobicContact CG-CB 4.19Å; P289-F329 HydrophobicContact CG-CD1 4.08Å; P289-F329 HydrophobicContact CG-CD2 3.69Å; P289-F329 HydrophobicContact CG-CE1 4.41Å; P289-F329 HydrophobicContact CG-CE2 4.03Å; P289-F329 HydrophobicContact CG-CG 3.72Å; P289-F329 HydrophobicContact CG-CZ 4.38Å
290A84Confident94.3Very high69 Ų6925.4 Ų25.457%0.5716%0.163SC*.THydrogen-bonded Turntrans-82.3-23.2176.900000112.4D288D288-A290 VanDerWaalsContact C-N 3.26Å; D288-A290 PolarHBondContact O-N 2.92Å; D288-A290 PolarHBondContact OD1-N 3.3Å; D288-A290 VanDerWaalsContact OD1-N 3.08Å
291A87.2Confident94.2Very high32 Ų3223.5 Ų23.526%0.26416%0.155SC..SBendtrans-138.470.2175.800000111.9D288 I293D288-A291 CarbonylContact O-C 3.59Å; D288-A291 PolarHBondContact O-N 2.77Å; D288-A291 VanDerWaalsContact O-N 3.11Å; D288-A291 PolarHBondContact OD1-N 3.12Å; A291-I293 WeakPolarHBondContact O-CG1 3.35Å; A291-I293 PolarHBondContact O-N 2.9Å
292P92.8Very high94.2Very high16 Ų1626 Ų2610%0.10416%0.155CC..THydrogen-bonded Turntrans-80.455.9-169.831-34.5000112.6V287 D288 P401 L434 I435V287-P292 HydrophobicContact CG1-CB 3.53Å; D288-P292 WeakPolarHBondContact O-CA 3.09Å; D288-P292 WeakPolarHBondContact O-CB 2.71Å; D288-P292 WeakPolarHBondContact O-CD 3.44Å; P292-P401 HydrophobicContact CG-CB 4.28Å; P292-P401 HydrophobicContact CG-CG 3.99Å; P292-L434 HydrophobicContact CG-CD2 4.29Å; P292-L434 CarbonylContact O-C 3.54Å; P292-L434 WeakPolarHBondContact O-CA 3.48Å; P292-I435 PolarHBondContact O-N 3.23Å
293I92.4Very high94.2Very high71 Ų7127.5 Ų27.536%0.36417%0.165SC..THydrogen-bonded Turntrans-113.5-6.7-175.554.1162.2000113.7A291 P432 L434A291-I293 WeakPolarHBondContact O-CG1 3.35Å; A291-I293 PolarHBondContact O-N 2.9Å; I293-P432 HydrophobicContact CB-CB 3.92Å; I293-P432 HydrophobicContact CB-CG 4.25Å; I293-P432 HydrophobicContact CD1-CG 4.1Å; I293-P432 HydrophobicContact CG2-CB 3.91Å; I293-P432 HydrophobicContact CG2-CG 4.16Å; I293-L434 HydrophobicContact CG2-CD2 3.88Å
294S92.8Very high94Very high22 Ų2228.1 Ų28.115%0.15417%0.168CC..  trans-156.5143.4-177.560.50000111.7
295I95.5Very high93.8Very high2 Ų231 Ų311%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-83133.1163.7-47.3178.9000107.2E285 A286 V287 W343 L349 L351 S352 W421 I435E285-I295 HydrophobicContact CB-CG2 3.89Å; E285-I295 HydrophobicContact CG-CG2 4.47Å; A286-I295 CarbonylContact O-C 3.54Å; A286-I295 WeakPolarHBondContact O-CA 3.15Å; V287-I295 HydrophobicContact CG2-CG1 3.87Å; I295-W343 HydrophobicContact CD1-CE3 4.19Å; I295-W343 HydrophobicContact CD1-CZ3 3.79Å; I295-L349 HydrophobicContact CD1-CD1 4.01Å; I295-L351 HydrophobicContact CB-CD1 4.16Å; I295-L351 HydrophobicContact CG2-CD1 3.72Å; I295-S352 PolarHBondContact O-N 2.59Å; I295-W421 HydrophobicContact CD1-CZ2 4.41Å; I295-I435 HydrophobicContact CG1-CD1 3.89Å
296R94.9Very high93.6Very high30 Ų3038 Ų3811%0.11322%0.216CC..EExtended strand (participates in β ladder)trans-137.6160.4176-75.1177.9-78.8153.4-4.8110.1A286 D288 M313A286-R296 PolarHBondContact N-O 2.91Å; A286-R296 PolarHBondContact O-N 3.26Å; D288-R296 IonicContact OD2-CZ 3.98Å; D288-R296 IonicContact OD2-NH2 3.03Å; D288-R296 PolarHBondContact OD2-NH2 3.33Å; R296-M313 HydrophobicContact CB-CE 3.61Å
297P96.1Very high93.4Very high0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-58143.8162.7-26.237.7000112.2L284 D314 L351 S352 F362 W364 Y367L284-P297 WeakPolarHBondContact O-CA 3.22Å; P297-D314 HydrophobicContact CB-CB 4.31Å; P297-D314 WeakPolarHBondContact CB-OD2 3.42Å; P297-D314 WeakPolarHBondContact O-CB 3.44Å; P297-D314 PolarHBondContact O-N 3.04Å; P297-D314 VanDerWaalsContact O-N 3.07Å; P297-L351 HydrophobicContact CG-CD2 4.47Å; P297-S352 WeakPolarHBondContact CD-O 3.37Å; P297-F362 HydrophobicContact CB-CZ 4.32Å; P297-F362 HydrophobicContact CG-CE1 3.97Å; P297-F362 HydrophobicContact CG-CE2 3.71Å; P297-F362 HydrophobicContact CG-CZ 3.34Å; P297-W364 HydrophobicContact CB-CH2 3.79Å; P297-W364 HydrophobicContact CB-CZ2 4.03Å; P297-W364 HydrophobicContact CG-CH2 4.24Å; P297-W364 HydrophobicContact CG-CZ2 4.05Å; P297-Y367 HydrophobicContact CB-CE1 3.95Å; P297-Y367 HydrophobicContact CG-CE1 4.48Å
298A96.7Very high93.4Very high0 Ų043.6 Ų43.60%024%0.239CC..EExtended strand (participates in β ladder)trans-146.8161.3174.700000110K283 L284 A286 V311 T312 M313 D314K283-A298 WeakPolarHBondContact CA-O 3.42Å; L284-A298 HydrophobicContact CD1-CB 3.95Å; L284-A298 PolarHBondContact N-O 2.82Å; L284-A298 PolarHBondContact O-N 2.72Å; A286-A298 HydrophobicContact CB-CB 3.77Å; A298-V311 HydrophobicContact CB-CG1 3.68Å; A298-T312 WeakPolarHBondContact CA-O 3.47Å; A298-T312 WeakPolarHBondContact CB-O 3.37Å; A298-M313 HydrophobicContact CB-CE 4.39Å; A298-M313 HydrophobicContact CB-SD 3.95Å; A298-D314 PolarHBondContact N-OD2 2.94Å
299T96.7Very high93.7Very high22 Ų2242.9 Ų42.914%0.13524%0.235CC..EExtended strand (participates in β ladder)trans-121.1139.2-178.7-56.80000110.6K283 T301 V311 T312 D314K283-T299 PolarHBondContact NZ-OG1 3.17Å; T299-T301 HydrophobicContact CG2-CG2 4.37Å; T299-T301 PolarHBondContact O-N 3.42Å; T299-T301 VanDerWaalsContact O-N 3.12Å; T299-V311 WeakPolarHBondContact O-CA 3.25Å; T299-T312 PolarHBondContact N-O 3.16Å; T299-T312 PolarHBondContact O-N 2.59Å; T299-D314 PolarHBondContact N-OD1 3.46Å; T299-D314 PolarHBondContact OG1-OD1 2.95Å
300V97.6Very high94.1Very high0 Ų040 Ų400%022%0.215CC..EExtended strand (participates in β ladder)trans-70.399.6163.1178.50000107.6F278 K279 G281 M282 L284 V303 F309 L310 V311F278-V300 HydrophobicContact CB-CG1 4.44Å; F278-V300 HydrophobicContact CB-CG2 4.31Å; F278-V300 HydrophobicContact CD1-CG2 3.98Å; F278-V300 HydrophobicContact CG-CG2 4.41Å; K279-V300 WeakPolarHBondContact O-CB 3.46Å; K279-V300 WeakPolarHBondContact O-CG1 3.33Å; G281-V300 PolarHBondContact N-O 2.99Å; M282-V300 HydrophobicContact CB-CB 4.35Å; M282-V300 HydrophobicContact CB-CG2 4.24Å; M282-V300 PolarHBondContact O-N 2.88Å; L284-V300 HydrophobicContact CD2-CG2 3.77Å; V300-V303 HydrophobicContact CG1-CG2 4.13Å; V300-F309 HydrophobicContact CG1-CB 4.19Å; V300-F309 HydrophobicContact CG1-CD2 3.98Å; V300-F309 HydrophobicContact CG1-CG 4.49Å; V300-F309 HydrophobicContact CG2-CD2 3.96Å; V300-F309 HydrophobicContact CG2-CE2 4.2Å; V300-L310 CarbonylContact C-O 3.48Å; V300-L310 WeakPolarHBondContact CA-O 3.3Å; V300-V311 HydrophobicContact CG2-CG2 4.47Å
301T95.3Very high94.7Very high66 Ų6636.8 Ų36.841%0.40519%0.188SC..EExtended strand (participates in β ladder)trans-87-21-172.344.50000113.4T299 L310 T312T299-T301 HydrophobicContact CG2-CG2 4.37Å; T299-T301 PolarHBondContact O-N 3.42Å; T299-T301 VanDerWaalsContact O-N 3.12Å; T301-L310 PolarHBondContact N-O 3.47Å; T301-T312 HydrophobicContact CG2-CG2 4.48Å; T301-T312 VanDerWaalsContact CG2-OG1 3.31Å; T301-T312 WeakPolarHBondContact CG2-OG1 3.14Å; T301-T312 PolarHBondContact OG1-OG1 3.03Å
302K95.6Very high95.1Very high92 Ų9236.3 Ų36.340%0.418%0.182SC..EExtended strand (participates in β ladder)trans-162.4126.1-179.9179.5-177.7176.5-170.30112D280 F304 F309 L310D280-K302 WeakPolarHBondContact OD1-CA 3.25Å; K302-F304 HydrophobicContact CD-CD1 4.38Å; K302-F304 HydrophobicContact CD-CE1 3.9Å; K302-F304 HydrophobicContact CD-CE2 4.15Å; K302-F304 HydrophobicContact CD-CZ 3.76Å; K302-F304 HydrophobicContact CG-CE2 4.39Å; K302-F304 HydrophobicContact CG-CZ 4.46Å; K302-F309 CarbonylContact O-C 3.52Å; K302-F309 WeakPolarHBondContact O-CA 3.46Å; K302-L310 HydrophobicContact CB-CB 4.17Å; K302-L310 PolarHBondContact O-N 2.87Å
303V96.9Very high95.1Very high44 Ų4435.7 Ų35.727%0.26718%0.178SC..EExtended strand (participates in β ladder)trans-90133.9163.7176.40000109.6D280 V300 D305 F309D280-V303 PolarHBondContact OD1-N 2.87Å; V300-V303 HydrophobicContact CG1-CG2 4.13Å; V303-D305 WeakPolarHBondContact CG1-O 3.23Å; V303-F309 HydrophobicContact CG2-CB 4.1Å
304F94.5Very high95.2Very high24 Ų2433 Ų3311%0.10516%0.164CC..  trans-98.1-34.7-179.3-69.9-95000113.3V174 D175 P176 R177 K302 Y308 L310 L330V174-F304 VanDerWaalsContact O-CZ 3.25Å; V174-F304 WeakPolarHBondContact O-CZ 3.12Å; D175-F304 WeakPolarHBondContact OD1-CE1 3.42Å; P176-F304 HydrophobicContact CG-CB 3.91Å; P176-F304 HydrophobicContact CG-CD1 3.69Å; P176-F304 HydrophobicContact CG-CD2 3.84Å; P176-F304 HydrophobicContact CG-CE1 4.04Å; P176-F304 HydrophobicContact CG-CE2 4.19Å; P176-F304 HydrophobicContact CG-CG 3.57Å; P176-F304 HydrophobicContact CG-CZ 4.29Å; R177-F304 PolarHBondContact NH2-O 2.77Å; K302-F304 HydrophobicContact CD-CD1 4.38Å; K302-F304 HydrophobicContact CD-CE1 3.9Å; K302-F304 HydrophobicContact CD-CE2 4.15Å; K302-F304 HydrophobicContact CD-CZ 3.76Å; K302-F304 HydrophobicContact CG-CE2 4.39Å; K302-F304 HydrophobicContact CG-CZ 4.46Å; F304-Y308 PolarHBondContact N-O 3.4Å; F304-L310 HydrophobicContact CE2-CB 4.03Å; F304-L330 HydrophobicContact CD2-CD1 4.39Å; F304-L330 HydrophobicContact CE2-CD1 4.18Å
305D92.9Very high95Very high60 Ų6034 Ų3432%0.32117%0.168SC..SBendtrans-167.1-157.6-178.248.760.2000109.2H276 V303 K307 Y308H276-D305 PolarHBondContact CE1-O 2.85Å; V303-D305 WeakPolarHBondContact CG1-O 3.23Å; D305-K307 VanDerWaalsContact C-N 3.29Å; D305-K307 WeakPolarHBondContact OD1-CA 3.35Å; D305-K307 WeakPolarHBondContact OD1-CB 3.39Å; D305-K307 PolarHBondContact OD1-N 2.97Å; D305-Y308 PolarHBondContact OD1-N 3.23Å
306E93.6Very high94.4Very high147 Ų14736.9 Ų36.969%0.68718%0.183SC*.SBendtrans-80.1-10.3-179-62.5178.2145.700113.1D275 H276D275-E306 CarbonylContact C-O 3.51Å; D275-E306 VanDerWaalsContact CA-O 3.26Å; D275-E306 WeakPolarHBondContact CA-O 3.05Å; H276-E306 PolarHBondContact N-O 2.67Å
307K92.6Very high93.7Very high84 Ų8439.2 Ų39.237%0.36520%0.203SC..SBendtrans-114.5-35.1-173.5-64-170.8177.6-148.70113.8V273 H276 D305 H332V273-K307 HydrophobicContact CB-CD 4.38Å; V273-K307 HydrophobicContact CG1-CB 3.9Å; V273-K307 HydrophobicContact CG1-CD 4.28Å; V273-K307 HydrophobicContact CG1-CG 4.36Å; V273-K307 PolarHBondContact O-NZ 2.77Å; H276-K307 PolarHBondContact CD2-O 3.01Å; H276-K307 VanDerWaalsContact CD2-O 3.3Å; D305-K307 VanDerWaalsContact C-N 3.29Å; D305-K307 WeakPolarHBondContact OD1-CA 3.35Å; D305-K307 WeakPolarHBondContact OD1-CB 3.39Å; D305-K307 PolarHBondContact OD1-N 2.97Å; K307-H332 VanDerWaalsContact O-CA 3.31Å; K307-H332 WeakPolarHBondContact O-CA 3.49Å; K307-H332 VanDerWaalsContact O-CB 3.3Å; K307-H332 WeakPolarHBondContact O-CB 3.42Å
308Y94.9Very high92Very high44 Ų4442.8 Ų42.817%0.17324%0.24CC..  trans-119.2135.2-170.8-66.7-69.8000114.1P176 F304 D305 L330 C331 H332P176-Y308 HydrophobicContact CB-CD1 4.34Å; P176-Y308 HydrophobicContact CB-CD2 3.97Å; P176-Y308 HydrophobicContact CB-CE2 4.46Å; P176-Y308 HydrophobicContact CB-CG 3.9Å; P176-Y308 HydrophobicContact CG-CD2 4.5Å; P176-Y308 HydrophobicContact CG-CG 4.26Å; F304-Y308 PolarHBondContact N-O 3.4Å; D305-Y308 PolarHBondContact OD1-N 3.23Å; Y308-L330 HydrophobicContact CD1-CD1 4.06Å; Y308-L330 HydrophobicContact CD1-CD2 4.29Å; Y308-L330 HydrophobicContact CD1-CG 4.16Å; Y308-L330 HydrophobicContact CG-CD1 4.39Å; Y308-C331 WeakPolarHBondContact CA-O 2.99Å; Y308-H332 HydrophobicContact CD1-CB 4.33Å; Y308-H332 HydrophobicContact CE1-CB 4.4Å
309F96.6Very high90.2Very high0 Ų045.6 Ų45.60%025%0.254CS..EExtended strand (participates in β ladder)trans-143.2151.6175.562.6-76.4000111.3H276 F278 V300 K302 V303 V311 C331 I338H276-F309 AromaticContact CD2-CD1 3.27Å; H276-F309 WeakPolarHBondContact CD2-CD1 3.43Å; H276-F309 AromaticContact CD2-CE1 3.72Å; H276-F309 AromaticContact NE2-CD1 3.48Å; H276-F309 WeakPolarHBondContact NE2-CD1 3.31Å; F278-F309 HydrophobicContact CB-CD2 4.27Å; F278-F309 HydrophobicContact CB-CE2 4.4Å; F278-F309 HydrophobicContact CB-CG 4.33Å; F278-F309 HydrophobicContact CD1-CE2 4.32Å; F278-F309 HydrophobicContact CD2-CD1 4.11Å; F278-F309 HydrophobicContact CD2-CD2 4.38Å; F278-F309 AromaticContact CD2-CE1 3.46Å; F278-F309 HydrophobicContact CD2-CE1 3.46Å; F278-F309 VanDerWaalsContact CD2-CE1 3.46Å; F278-F309 AromaticContact CD2-CE2 3.78Å; F278-F309 HydrophobicContact CD2-CE2 3.78Å; F278-F309 AromaticContact CD2-CZ 3.26Å; F278-F309 HydrophobicContact CD2-CZ 3.26Å; F278-F309 AromaticContact CE2-CE1 3.87Å; F278-F309 HydrophobicContact CE2-CE1 3.87Å; F278-F309 HydrophobicContact CE2-CE2 4.1Å; F278-F309 AromaticContact CE2-CZ 3.39Å; F278-F309 HydrophobicContact CE2-CZ 3.39Å; F278-F309 HydrophobicContact CG-CD2 4.28Å; F278-F309 HydrophobicContact CG-CE1 4.26Å; F278-F309 AromaticContact CG-CE2 3.91Å; F278-F309 HydrophobicContact CG-CE2 3.91Å; F278-F309 AromaticContact CG-CZ 3.9Å; F278-F309 HydrophobicContact CG-CZ 3.9Å; F278-F309 HydrophobicContact CZ-CE2 4.49Å; F278-F309 HydrophobicContact CZ-CZ 4.09Å; V300-F309 HydrophobicContact CG1-CB 4.19Å; V300-F309 HydrophobicContact CG1-CD2 3.98Å; V300-F309 HydrophobicContact CG1-CG 4.49Å; V300-F309 HydrophobicContact CG2-CD2 3.96Å; V300-F309 HydrophobicContact CG2-CE2 4.2Å; K302-F309 CarbonylContact O-C 3.52Å; K302-F309 WeakPolarHBondContact O-CA 3.46Å; V303-F309 HydrophobicContact CG2-CB 4.1Å; F309-V311 HydrophobicContact CD2-CG2 3.81Å; F309-V311 HydrophobicContact CE2-CG2 3.57Å; F309-C331 HydrophobicContact CD1-CB 4.2Å; F309-C331 WeakPolarHBondContact CD1-O 3.31Å; F309-C331 HydrophobicContact CD2-CB 3.97Å; F309-C331 HydrophobicContact CE1-CB 3.84Å; F309-C331 HydrophobicContact CE2-CB 3.58Å; F309-C331 HydrophobicContact CG-CB 4.28Å; F309-C331 HydrophobicContact CZ-CB 3.51Å; F309-C331 PolarHBondContact N-O 2.91Å; F309-C331 WeakPolarHBondContact O-CA 3.44Å; F309-C331 PolarHBondContact O-N 2.78Å; F309-C331 VanDerWaalsContact O-O 3.13Å; F309-I338 HydrophobicContact CE2-CD1 4.22Å; F309-I338 HydrophobicContact CZ-CD1 3.69Å
310L96.4Very high88.4Confident16 Ų1652.3 Ų52.38%0.08428%0.284CS..EExtended strand (participates in β ladder)trans-93.3130.1176.2-165.963.3000110.2V174 V300 T301 K302 F304V174-L310 HydrophobicContact CB-CD1 4.43Å; V174-L310 HydrophobicContact CG1-CD1 3.87Å; V174-L310 HydrophobicContact CG1-CD2 4.05Å; V300-L310 CarbonylContact C-O 3.48Å; V300-L310 WeakPolarHBondContact CA-O 3.3Å; T301-L310 PolarHBondContact N-O 3.47Å; K302-L310 HydrophobicContact CB-CB 4.17Å; K302-L310 PolarHBondContact O-N 2.87Å; F304-L310 HydrophobicContact CE2-CB 4.03Å
311V96.9Very high86.3Confident0 Ų061 Ų610%033%0.325CS..EExtended strand (participates in β ladder)trans-106.6131.6167.3175.50000108.6L284 A286 A298 T299 V300 F309 S328 F329 C331 I338L284-V311 HydrophobicContact CD1-CG1 4.04Å; L284-V311 HydrophobicContact CD2-CG2 4.25Å; A286-V311 HydrophobicContact CB-CG1 4.41Å; A298-V311 HydrophobicContact CB-CG1 3.68Å; T299-V311 WeakPolarHBondContact O-CA 3.25Å; V300-V311 HydrophobicContact CG2-CG2 4.47Å; F309-V311 HydrophobicContact CD2-CG2 3.81Å; F309-V311 HydrophobicContact CE2-CG2 3.57Å; V311-S328 CarbonylContact O-C 3.55Å; V311-S328 VanDerWaalsContact O-CA 3.26Å; V311-S328 WeakPolarHBondContact O-CA 3.41Å; V311-F329 HydrophobicContact CB-CD2 4.47Å; V311-F329 HydrophobicContact CB-CE1 4.41Å; V311-F329 HydrophobicContact CB-CE2 4Å; V311-F329 HydrophobicContact CB-CZ 3.96Å; V311-F329 HydrophobicContact CG1-CE1 4.09Å; V311-F329 HydrophobicContact CG1-CE2 4.12Å; V311-F329 HydrophobicContact CG1-CZ 3.62Å; V311-F329 PolarHBondContact N-O 3.08Å; V311-F329 VanDerWaalsContact N-O 3.09Å; V311-F329 PolarHBondContact O-N 2.86Å; V311-C331 HydrophobicContact CG2-CB 4.19Å; V311-C331 VanDerWaalsContact CG2-SG 3.58Å; V311-I338 HydrophobicContact CG2-CG2 4.35Å
312T95.1Very high84Confident22 Ų2263 Ų6314%0.13534%0.341CS..EExtended strand (participates in β ladder)trans-119.6131.2175-550000109.6A298 T299 T301 D314 S328A298-T312 WeakPolarHBondContact CA-O 3.47Å; A298-T312 WeakPolarHBondContact CB-O 3.37Å; T299-T312 PolarHBondContact N-O 3.16Å; T299-T312 PolarHBondContact O-N 2.59Å; T301-T312 HydrophobicContact CG2-CG2 4.48Å; T301-T312 VanDerWaalsContact CG2-OG1 3.31Å; T301-T312 WeakPolarHBondContact CG2-OG1 3.14Å; T301-T312 PolarHBondContact OG1-OG1 3.03Å; T312-D314 PolarHBondContact O-N 3.14Å; T312-S328 WeakPolarHBondContact CB-OG 3.29Å; T312-S328 VanDerWaalsContact CG2-OG 3.29Å; T312-S328 WeakPolarHBondContact CG2-OG 3.26Å; T312-S328 PolarHBondContact OG1-OG 2.98Å
313M94.1Very high81.8Confident4 Ų464.6 Ų64.62%0.0235%0.35CS..EExtended strand (participates in β ladder)trans-66.1129176.6-57.5-53.8-63.500110.8A286 D288 R296 A298 R327 F329A286-M313 HydrophobicContact CB-CE 4.17Å; A286-M313 HydrophobicContact CB-SD 3.9Å; D288-M313 HydrophobicContact CB-CE 4.33Å; D288-M313 HydrophobicContact CB-CG 4.16Å; D288-M313 HydrophobicContact CB-SD 4.25Å; R296-M313 HydrophobicContact CB-CE 3.61Å; A298-M313 HydrophobicContact CB-CE 4.39Å; A298-M313 HydrophobicContact CB-SD 3.95Å; M313-R327 HydrophobicContact CB-CB 4.43Å; M313-R327 PolarHBondContact N-O 3.03Å; M313-F329 HydrophobicContact CG-CE1 4.13Å; M313-F329 HydrophobicContact SD-CE1 3.63Å; M313-F329 HydrophobicContact SD-CZ 4.08Å
314D92.8Very high79.7Confident15 Ų1564.2 Ų64.28%0.0835%0.352CS..  trans-67.7135.1-174.2-73.1-24.8000111.9K283 P297 A298 T299 T312 P354 P355 Y367K283-D314 IonicContact NZ-OD1 3.47Å; K283-D314 PolarHBondContact NZ-OD1 3.37Å; K283-D314 VanDerWaalsContact NZ-OD1 3.08Å; K283-D314 IonicContact NZ-OD2 3.49Å; K283-D314 PolarHBondContact NZ-OD2 3.49Å; P297-D314 HydrophobicContact CB-CB 4.31Å; P297-D314 WeakPolarHBondContact CB-OD2 3.42Å; P297-D314 WeakPolarHBondContact O-CB 3.44Å; P297-D314 PolarHBondContact O-N 3.04Å; P297-D314 VanDerWaalsContact O-N 3.07Å; A298-D314 PolarHBondContact N-OD2 2.94Å; T299-D314 PolarHBondContact N-OD1 3.46Å; T299-D314 PolarHBondContact OG1-OD1 2.95Å; T312-D314 PolarHBondContact O-N 3.14Å; D314-P354 HydrophobicContact CB-CB 3.81Å; D314-P354 WeakPolarHBondContact O-CB 3.34Å; D314-P355 WeakPolarHBondContact O-CD 3.5Å; D314-Y367 PolarHBondContact OD2-OH 2.87Å; D314-Y367 VanDerWaalsContact OD2-OH 3.09Å
315D88.3Confident77.7Confident41 Ų4165.3 Ų65.322%0.21937%0.365CS..  trans-141.3137.5171.1-163-47.9000110.1C317 I319 R327 P355D315-C317 WeakPolarHBondContact OD1-CB 3.29Å; D315-C317 PolarHBondContact OD1-N 3.25Å; D315-C317 PolarHBondContact OD1-SG 3.15Å; D315-I319 HydrophobicContact CB-CD1 4.21Å; D315-I319 VanDerWaalsContact CG-CD1 3.5Å; D315-I319 VanDerWaalsContact OD2-CD1 3.29Å; D315-I319 WeakPolarHBondContact OD2-CD1 3.26Å; D315-R327 IonicContact OD2-CZ 2.68Å; D315-R327 IonicContact OD2-NH1 3.26Å; D315-R327 PolarHBondContact OD2-NH1 2.96Å; D315-R327 IonicContact OD2-NH2 3.2Å; D315-P355 WeakPolarHBondContact OD2-CB 3.48Å; D315-P355 WeakPolarHBondContact OD2-CG 3.42Å
316L84.3Confident76.4Confident64 Ų6465.7 Ų65.734%0.33538%0.383SS..  trans-108.63.9-176.6-55.1175.2000113G318 P354 P355 F357 Y367L316-G318 PolarHBondContact O-N 3.1Å; L316-P354 HydrophobicContact CD1-CG 3.96Å; L316-P354 HydrophobicContact CG-CB 4.46Å; L316-P354 HydrophobicContact CG-CG 4.23Å; L316-P355 WeakPolarHBondContact CB-O 3.4Å; L316-P355 PolarHBondContact N-O 2.98Å; L316-F357 HydrophobicContact CD1-CB 4.12Å; L316-F357 HydrophobicContact CD1-CD2 4.02Å; L316-Y367 HydrophobicContact CD1-CE2 4.19Å; L316-Y367 HydrophobicContact CD2-CE2 4.39Å
317C78.8Confident75.8Confident79 Ų7961.9 Ų61.953%0.53436%0.362SS..SBendtrans-75-5.2-177.1-58.40000114.5D315 I319 G356D315-C317 WeakPolarHBondContact OD1-CB 3.29Å; D315-C317 PolarHBondContact OD1-N 3.25Å; D315-C317 PolarHBondContact OD1-SG 3.15Å; C317-I319 HydrophobicContact CB-CD1 4.45Å; C317-I319 HydrophobicContact CB-CG1 4.1Å; C317-G356 PolarHBondContact SG-N 2.9Å
318G61.6Low75.7Confident75 Ų7558.7 Ų58.777%0.77335%0.351SS*.  trans74.149.3-178.900000113.2L316L316-G318 PolarHBondContact O-N 3.1Å
319I59.8Low75.7Confident59 Ų5957.8 Ų57.830%0.30335%0.348SS..  trans-77.4146.7-174.7-62-174.9000111.4D315 C317 E323 R327D315-I319 HydrophobicContact CB-CD1 4.21Å; D315-I319 VanDerWaalsContact CG-CD1 3.5Å; D315-I319 VanDerWaalsContact OD2-CD1 3.29Å; D315-I319 WeakPolarHBondContact OD2-CD1 3.26Å; C317-I319 HydrophobicContact CB-CD1 4.45Å; C317-I319 HydrophobicContact CB-CG1 4.1Å; I319-E323 HydrophobicContact CG2-CB 3.37Å; I319-E323 HydrophobicContact CG2-CG 4.38Å; I319-R327 VanDerWaalsContact CD1-NH2 3.27Å
320E57Low75.5Confident162 Ų16259.2 Ų59.276%0.75736%0.355SS*.  trans-68.8145.5175.3-62.8-172.3178.700111.8S322 E323E320-S322 PolarHBondContact O-N 3.08Å; E320-E323 PolarHBondContact O-N 2.66Å
321E53.4Low75.4Confident183 Ų18358.5 Ų58.586%0.85535%0.352SS*.Hα-helixtrans-53.8-29.6-172.9-62.6178.416100113.7E323 A324E321-E323 VanDerWaalsContact C-N 3.35Å; E321-E323 PolarHBondContact O-N 2.81Å; E321-A324 PolarHBondContact O-N 3.48Å
322S47.2Very low75.3Confident107 Ų10760 Ų6075%0.74836%0.359SS*.Hα-helixtrans-68.6-25.8178-165.80000114.5E320E320-S322 PolarHBondContact O-N 3.08Å
323E50.8Low75.1Confident126 Ų12663 Ų6359%0.58937%0.368SS*.Hα-helixtrans-89-18.3175.5-83.1-172.1-165.600112.3I319 E320 E321 A325I319-E323 HydrophobicContact CG2-CB 3.37Å; I319-E323 HydrophobicContact CG2-CG 4.38Å; E320-E323 PolarHBondContact O-N 2.66Å; E321-E323 VanDerWaalsContact C-N 3.35Å; E321-E323 PolarHBondContact O-N 2.81Å; E323-A325 VanDerWaalsContact C-N 3.33Å
324A52Low74.8Confident37 Ų3766.2 Ų66.231%0.30639%0.385SS..Hα-helixtrans-73.1-25.7174.400000112.8E321 R327 S328E321-A324 PolarHBondContact O-N 3.48Å; A324-R327 PolarHBondContact O-N 2.9Å; A324-S328 PolarHBondContact O-N 2.7Å; A324-S328 PolarHBondContact O-OG 3.33Å
325A53Low74.7Confident46 Ų4666.2 Ų66.238%0.3839%0.386SS..G310 helixtrans-57.5-48.117500000111.9E323 R327 S328E323-A325 VanDerWaalsContact C-N 3.33Å; A325-R327 PolarHBondContact O-N 3.36Å; A325-S328 PolarHBondContact O-N 3.49Å; A325-S328 VanDerWaalsContact O-N 3.1Å
326G65.1Low74.9Confident68 Ų6867.8 Ų67.870%0.70140%0.399SS*.G310 helixtrans-69.913.6178.200000115.7
327R81Confident75.3Confident67 Ų6765.2 Ų65.225%0.25339%0.387SS..G310 helixtrans-136.913.5176.3-51.5-174.7-169.9-172.27112.5M313 D315 I319 A324 A325M313-R327 HydrophobicContact CB-CB 4.43Å; M313-R327 PolarHBondContact N-O 3.03Å; D315-R327 IonicContact OD2-CZ 2.68Å; D315-R327 IonicContact OD2-NH1 3.26Å; D315-R327 PolarHBondContact OD2-NH1 2.96Å; D315-R327 IonicContact OD2-NH2 3.2Å; I319-R327 VanDerWaalsContact CD1-NH2 3.27Å; A324-R327 PolarHBondContact O-N 2.9Å; A325-R327 PolarHBondContact O-N 3.36Å
328S91.4Very high76.1Confident18 Ų1861.8 Ų61.813%0.12636%0.363CS..EExtended strand (participates in β ladder)trans-113.2139.3178.3-570000108.8V311 T312 A324 A325V311-S328 CarbonylContact O-C 3.55Å; V311-S328 VanDerWaalsContact O-CA 3.26Å; V311-S328 WeakPolarHBondContact O-CA 3.41Å; T312-S328 WeakPolarHBondContact CB-OG 3.29Å; T312-S328 VanDerWaalsContact CG2-OG 3.29Å; T312-S328 WeakPolarHBondContact CG2-OG 3.26Å; T312-S328 PolarHBondContact OG1-OG 2.98Å; A324-S328 PolarHBondContact O-N 2.7Å; A324-S328 PolarHBondContact O-OG 3.33Å; A325-S328 PolarHBondContact O-N 3.49Å; A325-S328 VanDerWaalsContact O-N 3.1Å
329F93.2Very high77.7Confident25 Ų2558.4 Ų58.411%0.1133%0.328CS..EExtended strand (participates in β ladder)trans-142.6136.2-17952.9-82.8000111.2A286 P289 V311 M313 C331 I338A286-F329 HydrophobicContact CB-CZ 4.13Å; P289-F329 VanDerWaalsContact CD-CD1 3.5Å; P289-F329 HydrophobicContact CG-CB 4.19Å; P289-F329 HydrophobicContact CG-CD1 4.08Å; P289-F329 HydrophobicContact CG-CD2 3.69Å; P289-F329 HydrophobicContact CG-CE1 4.41Å; P289-F329 HydrophobicContact CG-CE2 4.03Å; P289-F329 HydrophobicContact CG-CG 3.72Å; P289-F329 HydrophobicContact CG-CZ 4.38Å; V311-F329 HydrophobicContact CB-CD2 4.47Å; V311-F329 HydrophobicContact CB-CE1 4.41Å; V311-F329 HydrophobicContact CB-CE2 4Å; V311-F329 HydrophobicContact CB-CZ 3.96Å; V311-F329 HydrophobicContact CG1-CE1 4.09Å; V311-F329 HydrophobicContact CG1-CE2 4.12Å; V311-F329 HydrophobicContact CG1-CZ 3.62Å; V311-F329 PolarHBondContact N-O 3.08Å; V311-F329 VanDerWaalsContact N-O 3.09Å; V311-F329 PolarHBondContact O-N 2.86Å; M313-F329 HydrophobicContact CG-CE1 4.13Å; M313-F329 HydrophobicContact SD-CE1 3.63Å; M313-F329 HydrophobicContact SD-CZ 4.08Å; F329-C331 VanDerWaalsContact CD2-SG 3.5Å; F329-C331 VanDerWaalsContact CE2-SG 3.53Å; F329-C331 PolarHBondContact O-N 3.46Å; F329-I338 HydrophobicContact CE2-CG2 4.28Å
330L93.9Very high79.4Confident29 Ų2956 Ų5615%0.15232%0.316CS..EExtended strand (participates in β ladder)trans-65.5128.3178.5-177.261.2000110.5G173 P176 F304 Y308G173-L330 WeakPolarHBondContact O-CB 3.07Å; G173-L330 PolarHBondContact O-N 2.8Å; P176-L330 HydrophobicContact CB-CD1 4.07Å; P176-L330 HydrophobicContact CB-CD2 3.77Å; P176-L330 HydrophobicContact CG-CD1 3.98Å; F304-L330 HydrophobicContact CD2-CD1 4.39Å; F304-L330 HydrophobicContact CE2-CD1 4.18Å; Y308-L330 HydrophobicContact CD1-CD1 4.06Å; Y308-L330 HydrophobicContact CD1-CD2 4.29Å; Y308-L330 HydrophobicContact CD1-CG 4.16Å; Y308-L330 HydrophobicContact CG-CD1 4.39Å
331C94.6Very high81.3Confident2 Ų249 Ų491%0.01429%0.285CS..EExtended strand (participates in β ladder)trans-122.8154.1178.6-66.30000111Y308 F309 V311 F329Y308-C331 WeakPolarHBondContact CA-O 2.99Å; F309-C331 HydrophobicContact CD1-CB 4.2Å; F309-C331 WeakPolarHBondContact CD1-O 3.31Å; F309-C331 HydrophobicContact CD2-CB 3.97Å; F309-C331 HydrophobicContact CE1-CB 3.84Å; F309-C331 HydrophobicContact CE2-CB 3.58Å; F309-C331 HydrophobicContact CG-CB 4.28Å; F309-C331 HydrophobicContact CZ-CB 3.51Å; F309-C331 PolarHBondContact N-O 2.91Å; F309-C331 WeakPolarHBondContact O-CA 3.44Å; F309-C331 PolarHBondContact O-N 2.78Å; F309-C331 VanDerWaalsContact O-O 3.13Å; V311-C331 HydrophobicContact CG2-CB 4.19Å; V311-C331 VanDerWaalsContact CG2-SG 3.58Å; F329-C331 VanDerWaalsContact CD2-SG 3.5Å; F329-C331 VanDerWaalsContact CE2-SG 3.53Å; F329-C331 PolarHBondContact O-N 3.46Å
332H93.2Very high83.2Confident32 Ų3244 Ų4415%0.14826%0.262CS..  trans-125.7176.3161.862.291.5000109.2V273 K307 Y308 D334 S335V273-H332 HydrophobicContact CG1-CB 3.49Å; V273-H332 VanDerWaalsContact CG1-CB 3.49Å; K307-H332 VanDerWaalsContact O-CA 3.31Å; K307-H332 WeakPolarHBondContact O-CA 3.49Å; K307-H332 VanDerWaalsContact O-CB 3.3Å; K307-H332 WeakPolarHBondContact O-CB 3.42Å; Y308-H332 HydrophobicContact CD1-CB 4.33Å; Y308-H332 HydrophobicContact CE1-CB 4.4Å; H332-D334 VanDerWaalsContact C-N 3.27Å; H332-D334 PolarHBondContact ND1-N 3.23Å; H332-D334 PolarHBondContact O-N 2.95Å; H332-D334 VanDerWaalsContact O-N 3.14Å; H332-S335 PolarHBondContact CD2-OG 2.87Å; H332-S335 PolarHBondContact CE1-N 2.84Å; H332-S335 PolarHBondContact N-OG 2.86Å; H332-S335 PolarHBondContact NE2-OG 3.24Å; H332-S335 VanDerWaalsContact NE2-OG 3.08Å; H332-S335 WeakPolarHBondContact O-CB 3.19Å; H332-S335 PolarHBondContact O-N 3.03Å; H332-S335 VanDerWaalsContact O-N 3.12Å; H332-S335 PolarHBondContact O-OG 3.23Å
333R91.4Very high85.5Confident84 Ų8439.5 Ų39.532%0.31723%0.229SC..THydrogen-bonded Turntrans-45.5-48.6-174.6-176.9-166.1-177.6111.83.7113.9A274 D275 H276A274-R333 WeakPolarHBondContact O-CB 3.37Å; D275-R333 WeakPolarHBondContact O-CD 3.24Å; D275-R333 PolarHBondContact O-NH1 3.26Å; H276-R333 HydrophobicContact CB-CB 4.1Å
334D88.6Confident87.6Confident72 Ų7233.6 Ų33.639%0.38520%0.201SC..THydrogen-bonded Turntrans-102.418.2-171.4-45.6-77000112.7H332H332-D334 VanDerWaalsContact C-N 3.27Å; H332-D334 PolarHBondContact ND1-N 3.23Å; H332-D334 PolarHBondContact O-N 2.95Å; H332-D334 VanDerWaalsContact O-N 3.14Å
335S90.8Very high89.5Confident14 Ų1437.9 Ų37.910%0.09822%0.218CC..  trans-62.9133.5175.1-67.40000111.2H332H332-S335 PolarHBondContact CD2-OG 2.87Å; H332-S335 PolarHBondContact CE1-N 2.84Å; H332-S335 PolarHBondContact N-OG 2.86Å; H332-S335 PolarHBondContact NE2-OG 3.24Å; H332-S335 VanDerWaalsContact NE2-OG 3.08Å; H332-S335 WeakPolarHBondContact O-CB 3.19Å; H332-S335 PolarHBondContact O-N 3.03Å; H332-S335 VanDerWaalsContact O-N 3.12Å; H332-S335 PolarHBondContact O-OG 3.23Å
336P91.1Very high91.4Very high75 Ų7541.6 Ų41.649%0.48723%0.226SC..THydrogen-bonded Turntrans-70154.2174.829.8-34.6000111.3H437P336-H437 HydrophobicContact CB-CB 3.58Å
337G92.8Very high92.7Very high9 Ų940 Ų409%0.09320%0.201CC..THydrogen-bonded Turntrans90.20.9173.100000115.5A286 V287 F339 Y419A286-G337 CarbonylContact C-O 3.58Å; A286-G337 WeakPolarHBondContact CA-O 3.19Å; V287-G337 PolarHBondContact N-O 2.97Å; G337-F339 VanDerWaalsContact C-CE2 3.49Å; G337-F339 VanDerWaalsContact O-CE2 3.23Å; G337-F339 WeakPolarHBondContact O-CE2 3.48Å; G337-Y419 PolarHBondContact N-OH 3.35Å
338I95.7Very high93.2Very high7 Ų739.6 Ų39.64%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-107.8141.8170.662.5172.8000111.5F278 L284 A286 F309 V311 F329 F381F278-I338 HydrophobicContact CE2-CD1 4.32Å; F278-I338 HydrophobicContact CZ-CD1 4.11Å; L284-I338 HydrophobicContact CD1-CB 4.38Å; L284-I338 HydrophobicContact CD1-CG2 4.29Å; A286-I338 HydrophobicContact CB-CG2 4.43Å; F309-I338 HydrophobicContact CE2-CD1 4.22Å; F309-I338 HydrophobicContact CZ-CD1 3.69Å; V311-I338 HydrophobicContact CG2-CG2 4.35Å; F329-I338 HydrophobicContact CE2-CG2 4.28Å; I338-F381 HydrophobicContact CB-CE1 4.26Å; I338-F381 HydrophobicContact CD1-CE1 4.41Å; I338-F381 HydrophobicContact CG1-CD1 4.32Å; I338-F381 HydrophobicContact CG1-CE1 4.23Å
339F95.6Very high93.3Very high5 Ų539.3 Ų39.32%0.02222%0.215CC..EExtended strand (participates in β ladder)trans-144149.9-172-46.3-97.4000111.6L284 E285 V287 G337 W343 F381 Y419L284-F339 WeakPolarHBondContact CB-O 3.39Å; E285-F339 HydrophobicContact CB-CB 4.06Å; E285-F339 PolarHBondContact N-O 2.9Å; E285-F339 PolarHBondContact O-N 2.98Å; V287-F339 HydrophobicContact CG2-CE2 3.96Å; V287-F339 HydrophobicContact CG2-CZ 4.46Å; G337-F339 VanDerWaalsContact C-CE2 3.49Å; G337-F339 VanDerWaalsContact O-CE2 3.23Å; G337-F339 WeakPolarHBondContact O-CE2 3.48Å; F339-W343 HydrophobicContact CB-CB 3.74Å; F339-W343 HydrophobicContact CB-CD2 4.14Å; F339-W343 HydrophobicContact CB-CE3 4.34Å; F339-W343 HydrophobicContact CB-CG 3.88Å; F339-W343 AromaticContact CD1-CD2 3.33Å; F339-W343 HydrophobicContact CD1-CD2 3.33Å; F339-W343 AromaticContact CD1-CE2 3.58Å; F339-W343 AromaticContact CD1-CE3 3.4Å; F339-W343 HydrophobicContact CD1-CE3 3.4Å; F339-W343 AromaticContact CD1-CG 3.88Å; F339-W343 HydrophobicContact CD1-CG 3.88Å; F339-W343 AromaticContact CD1-CH2 4Å; F339-W343 HydrophobicContact CD1-CH2 4Å; F339-W343 AromaticContact CD1-CZ2 3.93Å; F339-W343 HydrophobicContact CD1-CZ2 3.93Å; F339-W343 AromaticContact CD1-CZ3 3.73Å; F339-W343 HydrophobicContact CD1-CZ3 3.73Å; F339-W343 AromaticContact CE1-CD2 3.93Å; F339-W343 HydrophobicContact CE1-CD2 3.93Å; F339-W343 AromaticContact CE1-CE2 3.93Å; F339-W343 AromaticContact CE1-CE3 3.68Å; F339-W343 HydrophobicContact CE1-CE3 3.68Å; F339-W343 AromaticContact CE1-CH2 3.52Å; F339-W343 HydrophobicContact CE1-CH2 3.52Å; F339-W343 AromaticContact CE1-CZ2 3.76Å; F339-W343 HydrophobicContact CE1-CZ2 3.76Å; F339-W343 AromaticContact CE1-CZ3 3.46Å; F339-W343 HydrophobicContact CE1-CZ3 3.46Å; F339-W343 VanDerWaalsContact CE1-CZ3 3.46Å; F339-W343 AromaticContact CG-CD2 3.98Å; F339-W343 HydrophobicContact CG-CD2 3.98Å; F339-W343 AromaticContact CG-CE3 3.89Å; F339-W343 HydrophobicContact CG-CE3 3.89Å; F339-W343 HydrophobicContact CG-CG 4.25Å; F339-W343 HydrophobicContact CG-CZ3 4.46Å; F339-W343 HydrophobicContact CZ-CE3 4.42Å; F339-W343 HydrophobicContact CZ-CH2 4.33Å; F339-W343 HydrophobicContact CZ-CZ3 4.05Å; F339-F381 WeakPolarHBondContact O-CZ 3.4Å; F339-Y419 HydrophobicContact CD1-CE2 4.28Å; F339-Y419 HydrophobicContact CE1-CD1 4.24Å; F339-Y419 AromaticContact CE1-CD2 3.63Å; F339-Y419 HydrophobicContact CE1-CD2 3.63Å; F339-Y419 AromaticContact CE1-CE1 3.98Å; F339-Y419 HydrophobicContact CE1-CE1 3.98Å; F339-Y419 AromaticContact CE1-CE2 3.35Å; F339-Y419 HydrophobicContact CE1-CE2 3.35Å; F339-Y419 HydrophobicContact CE1-CG 4.07Å; F339-Y419 AromaticContact CE1-CZ 3.53Å; F339-Y419 AromaticContact CZ-CD1 3.88Å; F339-Y419 HydrophobicContact CZ-CD1 3.88Å; F339-Y419 HydrophobicContact CZ-CD2 4.13Å; F339-Y419 AromaticContact CZ-CE1 3.6Å; F339-Y419 HydrophobicContact CZ-CE1 3.6Å; F339-Y419 AromaticContact CZ-CE2 3.89Å; F339-Y419 HydrophobicContact CZ-CE2 3.89Å; F339-Y419 HydrophobicContact CZ-CG 4.12Å; F339-Y419 AromaticContact CZ-CZ 3.61Å
340P95.9Very high93.2Very high8 Ų842.9 Ų42.95%0.05224%0.24CC..  trans-64.715317327.9-34.6000111Q342 W343 F381P340-Q342 PolarHBondContact O-N 3.34Å; P340-W343 HydrophobicContact CG-CB 4.21Å; P340-W343 WeakPolarHBondContact O-CB 3.26Å; P340-W343 PolarHBondContact O-N 2.86Å; P340-F381 VanDerWaalsContact CA-CE2 3.46Å; P340-F381 HydrophobicContact CB-CD2 3.77Å; P340-F381 HydrophobicContact CB-CE2 3.6Å; P340-F381 HydrophobicContact CB-CZ 4.21Å; P340-F381 HydrophobicContact CG-CD2 4.19Å; P340-F381 HydrophobicContact CG-CE2 4.41Å
341A96.1Very high93.2Very high15 Ų1543.1 Ų43.112%0.12424%0.242CC..THydrogen-bonded Turntrans-53141.5174.600000111.7W343 K346 W364 A375A341-W343 VanDerWaalsContact C-N 3.29Å; A341-W343 PolarHBondContact O-N 3.1Å; A341-K346 PolarHBondContact O-NZ 3.34Å; A341-W364 HydrophobicContact CB-CD2 3.88Å; A341-W364 HydrophobicContact CB-CE3 4.18Å; A341-W364 HydrophobicContact CB-CG 4.29Å; A341-W364 HydrophobicContact CB-CZ2 4.23Å; A341-W364 HydrophobicContact CB-CZ3 4.47Å; A341-A375 HydrophobicContact CB-CB 3.84Å
342Q94.6Very high93Very high77 Ų7745.3 Ų45.336%0.3626%0.257SS..THydrogen-bonded Turntrans67.412.5-173.4-49171.7-20.600115.3E285 P340 L345 K346 W364E285-Q342 WeakPolarHBondContact OE1-CA 3.42Å; E285-Q342 PolarHBondContact OE1-N 3.01Å; P340-Q342 PolarHBondContact O-N 3.34Å; Q342-L345 HydrophobicContact CB-CB 4.46Å; Q342-L345 PolarHBondContact O-N 2.84Å; Q342-K346 WeakPolarHBondContact O-CB 3.42Å; Q342-K346 WeakPolarHBondContact O-CD 3.39Å; Q342-K346 WeakPolarHBondContact O-CG 3.27Å; Q342-K346 PolarHBondContact O-N 2.63Å; Q342-W364 HydrophobicContact CG-CB 4.08Å; Q342-W364 HydrophobicContact CG-CG 4.08Å
343W94.7Very high93Very high14 Ų1446.9 Ų46.95%0.05327%0.27CS..Hα-helixtrans-63-44.5177.7-178.292.3000112.5E285 I295 F339 P340 A341 K346 N347 L349 E384 K416 Y419 W421E285-W343 PolarHBondContact OE1-N 2.87Å; E285-W343 PolarHBondContact OE2-N 3Å; I295-W343 HydrophobicContact CD1-CE3 4.19Å; I295-W343 HydrophobicContact CD1-CZ3 3.79Å; F339-W343 HydrophobicContact CB-CB 3.74Å; F339-W343 HydrophobicContact CB-CD2 4.14Å; F339-W343 HydrophobicContact CB-CE3 4.34Å; F339-W343 HydrophobicContact CB-CG 3.88Å; F339-W343 AromaticContact CD1-CD2 3.33Å; F339-W343 HydrophobicContact CD1-CD2 3.33Å; F339-W343 AromaticContact CD1-CE2 3.58Å; F339-W343 AromaticContact CD1-CE3 3.4Å; F339-W343 HydrophobicContact CD1-CE3 3.4Å; F339-W343 AromaticContact CD1-CG 3.88Å; F339-W343 HydrophobicContact CD1-CG 3.88Å; F339-W343 AromaticContact CD1-CH2 4Å; F339-W343 HydrophobicContact CD1-CH2 4Å; F339-W343 AromaticContact CD1-CZ2 3.93Å; F339-W343 HydrophobicContact CD1-CZ2 3.93Å; F339-W343 AromaticContact CD1-CZ3 3.73Å; F339-W343 HydrophobicContact CD1-CZ3 3.73Å; F339-W343 AromaticContact CE1-CD2 3.93Å; F339-W343 HydrophobicContact CE1-CD2 3.93Å; F339-W343 AromaticContact CE1-CE2 3.93Å; F339-W343 AromaticContact CE1-CE3 3.68Å; F339-W343 HydrophobicContact CE1-CE3 3.68Å; F339-W343 AromaticContact CE1-CH2 3.52Å; F339-W343 HydrophobicContact CE1-CH2 3.52Å; F339-W343 AromaticContact CE1-CZ2 3.76Å; F339-W343 HydrophobicContact CE1-CZ2 3.76Å; F339-W343 AromaticContact CE1-CZ3 3.46Å; F339-W343 HydrophobicContact CE1-CZ3 3.46Å; F339-W343 VanDerWaalsContact CE1-CZ3 3.46Å; F339-W343 AromaticContact CG-CD2 3.98Å; F339-W343 HydrophobicContact CG-CD2 3.98Å; F339-W343 AromaticContact CG-CE3 3.89Å; F339-W343 HydrophobicContact CG-CE3 3.89Å; F339-W343 HydrophobicContact CG-CG 4.25Å; F339-W343 HydrophobicContact CG-CZ3 4.46Å; F339-W343 HydrophobicContact CZ-CE3 4.42Å; F339-W343 HydrophobicContact CZ-CH2 4.33Å; F339-W343 HydrophobicContact CZ-CZ3 4.05Å; P340-W343 HydrophobicContact CG-CB 4.21Å; P340-W343 WeakPolarHBondContact O-CB 3.26Å; P340-W343 PolarHBondContact O-N 2.86Å; A341-W343 VanDerWaalsContact C-N 3.29Å; A341-W343 PolarHBondContact O-N 3.1Å; W343-K346 PolarHBondContact O-N 2.7Å; W343-N347 PolarHBondContact NE1-ND2 2.74Å; W343-N347 WeakPolarHBondContact O-CB 3.38Å; W343-N347 PolarHBondContact O-N 2.9Å; W343-N347 PolarHBondContact O-ND2 2.81Å; W343-L349 HydrophobicContact CE3-CD1 4.22Å; W343-L349 HydrophobicContact CH2-CD1 3.84Å; W343-L349 HydrophobicContact CZ3-CD1 3.38Å; W343-E384 PolarHBondContact NE1-OE1 2.82Å; W343-K416 HydrophobicContact CH2-CB 4.35Å; W343-Y419 HydrophobicContact CH2-CD2 4.3Å; W343-Y419 HydrophobicContact CZ2-CD2 4.34Å; W343-W421 HydrophobicContact CH2-CH2 4.46Å
344S94.2Very high92.9Very high1 Ų143 Ų431%0.00726%0.255CS..Hα-helixtrans-56.4-49.6173.751.70000112E285 K346 N347 G348 L349E285-S344 PolarHBondContact OE1-OG 3.39Å; E285-S344 WeakPolarHBondContact OE2-CB 3.45Å; E285-S344 PolarHBondContact OE2-N 3.48Å; E285-S344 PolarHBondContact OE2-OG 3.12Å; S344-K346 PolarHBondContact O-N 3.09Å; S344-N347 CarbonylContact O-C 3.54Å; S344-N347 PolarHBondContact O-N 3.21Å; S344-N347 VanDerWaalsContact O-N 3.1Å; S344-G348 PolarHBondContact O-N 3.15Å; S344-G348 VanDerWaalsContact O-N 3.08Å; S344-L349 PolarHBondContact O-N 3.03Å
345L93.1Very high92.9Very high127 Ų12741.9 Ų41.967%0.66525%0.252SS*.Hα-helixtrans-58.9-46.6177.8-179.462.2000112Q342 N347 G348Q342-L345 HydrophobicContact CB-CB 4.46Å; Q342-L345 PolarHBondContact O-N 2.84Å; L345-N347 PolarHBondContact O-N 3.44Å; L345-G348 PolarHBondContact O-N 2.72Å
346K92.6Very high92.6Very high125 Ų12542.7 Ų42.754%0.54326%0.263SS..Hα-helixtrans-58.8-34.2175.6-70159.8-171.9159.20112.2A341 Q342 W343 S344A341-K346 PolarHBondContact O-NZ 3.34Å; Q342-K346 WeakPolarHBondContact O-CB 3.42Å; Q342-K346 WeakPolarHBondContact O-CD 3.39Å; Q342-K346 WeakPolarHBondContact O-CG 3.27Å; Q342-K346 PolarHBondContact O-N 2.63Å; W343-K346 PolarHBondContact O-N 2.7Å; S344-K346 PolarHBondContact O-N 3.09Å
347N91.9Very high92.4Very high35 Ų3541.3 Ų41.319%0.18725%0.249CC..Hα-helixtrans-87.5-8.2-178.2-84.6-80.7000115.1W343 S344 L345 L349 K416W343-N347 PolarHBondContact NE1-ND2 2.74Å; W343-N347 WeakPolarHBondContact O-CB 3.38Å; W343-N347 PolarHBondContact O-N 2.9Å; W343-N347 PolarHBondContact O-ND2 2.81Å; S344-N347 CarbonylContact O-C 3.54Å; S344-N347 PolarHBondContact O-N 3.21Å; S344-N347 VanDerWaalsContact O-N 3.1Å; L345-N347 PolarHBondContact O-N 3.44Å; N347-L349 HydrophobicContact CB-CD1 3.81Å; N347-L349 HydrophobicContact CB-CG 4.02Å; N347-K416 HydrophobicContact CB-CD 4.3Å; N347-K416 VanDerWaalsContact O-CE 3.32Å; N347-K416 WeakPolarHBondContact O-CE 3.44Å; N347-K416 PolarHBondContact O-NZ 3.44Å
348G92.7Very high91.8Very high57 Ų5749.4 Ų49.459%0.58829%0.285SS*.THydrogen-bonded Turntrans7339-172.400000112.7S344 L345S344-G348 PolarHBondContact O-N 3.15Å; S344-G348 VanDerWaalsContact O-N 3.08Å; L345-G348 PolarHBondContact O-N 2.72Å
349L92.9Very high90.8Very high13 Ų1351 Ų517%0.06830%0.303CS..  trans-110.6144.4178.3-65.2169.1000110.5I295 W343 S344 N347 K416 W421I295-L349 HydrophobicContact CD1-CD1 4.01Å; W343-L349 HydrophobicContact CE3-CD1 4.22Å; W343-L349 HydrophobicContact CH2-CD1 3.84Å; W343-L349 HydrophobicContact CZ3-CD1 3.38Å; S344-L349 PolarHBondContact O-N 3.03Å; N347-L349 HydrophobicContact CB-CD1 3.81Å; N347-L349 HydrophobicContact CB-CG 4.02Å; L349-K416 HydrophobicContact CD1-CB 4.34Å; L349-K416 HydrophobicContact CD1-CG 4.22Å; L349-K416 HydrophobicContact CD2-CG 4.19Å; L349-K416 HydrophobicContact CG-CG 4.36Å; L349-W421 HydrophobicContact CD1-CH2 3.47Å; L349-W421 VanDerWaalsContact CD1-CH2 3.47Å; L349-W421 HydrophobicContact CD1-CZ2 3.71Å; L349-W421 HydrophobicContact CD1-CZ3 4.44Å; L349-W421 HydrophobicContact CD2-CH2 3.89Å; L349-W421 HydrophobicContact CD2-CZ2 3.56Å; L349-W421 HydrophobicContact CG-CH2 4.35Å; L349-W421 HydrophobicContact CG-CZ2 4.25Å
350P90.8Very high89.8Confident99 Ų9956.4 Ų56.464%0.64334%0.341SS*.PPolyproline II helixtrans-72.1130.2172.130.7-32.9000110.3
351L93.3Very high89.3Confident35 Ų3562.1 Ų62.118%0.18337%0.372CS..PPolyproline II helixtrans-94.6126.3167.6-173.761.5000108.5E285 I295 P297 F362E285-L351 HydrophobicContact CG-CD1 3.9Å; E285-L351 HydrophobicContact CG-CD2 4.29Å; I295-L351 HydrophobicContact CB-CD1 4.16Å; I295-L351 HydrophobicContact CG2-CD1 3.72Å; P297-L351 HydrophobicContact CG-CD2 4.47Å; L351-F362 HydrophobicContact CD2-CD1 3.67Å; L351-F362 HydrophobicContact CD2-CE1 3.54Å; L351-F362 HydrophobicContact CG-CD1 4.47Å
352S92.1Very high89Confident48 Ų4863.4 Ų63.434%0.33637%0.374SS..PPolyproline II helixtrans-82131.1173.5-720000109.6I295 P297I295-S352 PolarHBondContact O-N 2.59Å; P297-S352 WeakPolarHBondContact CD-O 3.37Å
353P91.6Very high88.9Confident64 Ų6463.3 Ų63.342%0.41638%0.376SS..PPolyproline II helixtrans-65.1156.9174.727.4-34.1000111.3F357 F362P353-F357 HydrophobicContact CB-CB 4.05Å; P353-F357 HydrophobicContact CB-CD1 3.9Å; P353-F357 HydrophobicContact CB-CG 4.15Å; P353-F362 HydrophobicContact CB-CB 4.3Å; P353-F362 HydrophobicContact CB-CD2 4.18Å
354P90.5Very high88.9Confident2 Ų263.1 Ų63.11%0.01338%0.375CS..PPolyproline II helixtrans-64.5146.1172.128.6-33.2000109.9D314 L316 F357 Y367D314-P354 HydrophobicContact CB-CB 3.81Å; D314-P354 WeakPolarHBondContact O-CB 3.34Å; L316-P354 HydrophobicContact CD1-CG 3.96Å; L316-P354 HydrophobicContact CG-CB 4.46Å; L316-P354 HydrophobicContact CG-CG 4.23Å; P354-F357 HydrophobicContact CG-CB 4.27Å; P354-F357 VanDerWaalsContact O-CB 3.24Å; P354-F357 WeakPolarHBondContact O-CB 3.5Å; P354-F357 PolarHBondContact O-N 2.87Å; P354-Y367 HydrophobicContact CG-CE2 4.19Å
355P88.6Confident88.8Confident49 Ų4965.9 Ų65.932%0.31840%0.399SS..THydrogen-bonded Turntrans-57.4145.6177.5-21.132.1000111.3D314 D315 L316 F357D314-P355 WeakPolarHBondContact O-CD 3.5Å; D315-P355 WeakPolarHBondContact OD2-CB 3.48Å; D315-P355 WeakPolarHBondContact OD2-CG 3.42Å; L316-P355 WeakPolarHBondContact CB-O 3.4Å; L316-P355 PolarHBondContact N-O 2.98Å; P355-F357 VanDerWaalsContact C-N 3.29Å; P355-F357 PolarHBondContact O-N 3.49Å
356G84.3Confident88.7Confident32 Ų3264.6 Ų64.633%0.3339%0.392SS..THydrogen-bonded Turntrans82.2-8-175.700000115.5C317 Q358C317-G356 PolarHBondContact SG-N 2.9Å; G356-Q358 PolarHBondContact O-NE2 3.3Å
357F86.6Confident88.8Confident46 Ų4658.9 Ų58.920%0.20237%0.367CS..  trans-58.5136.2173.5-171.4-105.7000112L316 P353 P354 P355 G359 F362 Y367L316-F357 HydrophobicContact CD1-CB 4.12Å; L316-F357 HydrophobicContact CD1-CD2 4.02Å; P353-F357 HydrophobicContact CB-CB 4.05Å; P353-F357 HydrophobicContact CB-CD1 3.9Å; P353-F357 HydrophobicContact CB-CG 4.15Å; P354-F357 HydrophobicContact CG-CB 4.27Å; P354-F357 VanDerWaalsContact O-CB 3.24Å; P354-F357 WeakPolarHBondContact O-CB 3.5Å; P354-F357 PolarHBondContact O-N 2.87Å; P355-F357 VanDerWaalsContact C-N 3.29Å; P355-F357 PolarHBondContact O-N 3.49Å; F357-G359 VanDerWaalsContact CE1-CA 3.48Å; F357-F362 HydrophobicContact CD2-CD2 4.48Å; F357-F362 HydrophobicContact CE1-CB 4.33Å; F357-F362 HydrophobicContact CE1-CD2 4.25Å; F357-F362 HydrophobicContact CE2-CD2 4.17Å; F357-F362 HydrophobicContact CZ-CD2 4.05Å; F357-Y367 HydrophobicContact CE2-CD2 4.3Å
358Q80.8Confident88.9Confident179 Ų17958.8 Ų58.884%0.83637%0.367SS*.  trans-105.6-6.8-171.4-59.4-65-54.100114.2G356G356-Q358 PolarHBondContact O-NE2 3.3Å
359G75.1Confident88.9Confident41 Ų4163.2 Ų63.242%0.42337%0.37SS..  trans-76.6151.3176.800000112.2F357 D361F357-G359 VanDerWaalsContact CE1-CA 3.48Å; G359-D361 VanDerWaalsContact C-N 3.3Å
360S73.9Confident88.8Confident117 Ų11768.6 Ų68.682%0.81840%0.395SS*.SBendtrans-68.7-32.8173.452.60000112.8
361D84.7Confident88.8Confident129 Ų12966.1 Ų66.169%0.6938%0.379SS*.SBendtrans-134.6139.9-175.3-53.5-93.9000107.2G359G359-D361 VanDerWaalsContact C-N 3.3Å
362F90.8Very high88.8Confident42 Ų4273.6 Ų73.618%0.18441%0.413CS..  trans-89.9123.3178.4179.9-87.6000110.2P297 L351 P353 F357 W364 Y367P297-F362 HydrophobicContact CB-CZ 4.32Å; P297-F362 HydrophobicContact CG-CE1 3.97Å; P297-F362 HydrophobicContact CG-CE2 3.71Å; P297-F362 HydrophobicContact CG-CZ 3.34Å; L351-F362 HydrophobicContact CD2-CD1 3.67Å; L351-F362 HydrophobicContact CD2-CE1 3.54Å; L351-F362 HydrophobicContact CG-CD1 4.47Å; P353-F362 HydrophobicContact CB-CB 4.3Å; P353-F362 HydrophobicContact CB-CD2 4.18Å; F357-F362 HydrophobicContact CD2-CD2 4.48Å; F357-F362 HydrophobicContact CE1-CB 4.33Å; F357-F362 HydrophobicContact CE1-CD2 4.25Å; F357-F362 HydrophobicContact CE2-CD2 4.17Å; F357-F362 HydrophobicContact CZ-CD2 4.05Å; F362-W364 AromaticContact CE1-CD1 3.9Å; F362-W364 AromaticContact CE1-CD2 3.91Å; F362-W364 HydrophobicContact CE1-CD2 3.91Å; F362-W364 AromaticContact CE1-CE2 3.91Å; F362-W364 AromaticContact CE1-CG 3.92Å; F362-W364 HydrophobicContact CE1-CG 3.92Å; F362-W364 AromaticContact CE1-NE1 3.92Å; F362-W364 HydrophobicContact CZ-CD2 4.16Å; F362-W364 HydrophobicContact CZ-CE3 4.35Å; F362-Y367 AromaticContact CE2-CD1 3.68Å; F362-Y367 HydrophobicContact CE2-CD1 3.68Å; F362-Y367 HydrophobicContact CE2-CD2 4.02Å; F362-Y367 HydrophobicContact CE2-CE1 4.28Å; F362-Y367 AromaticContact CE2-CG 3.54Å; F362-Y367 HydrophobicContact CE2-CG 3.54Å; F362-Y367 AromaticContact CZ-CD1 3.52Å; F362-Y367 HydrophobicContact CZ-CD1 3.52Å; F362-Y367 HydrophobicContact CZ-CE1 4.29Å; F362-Y367 AromaticContact CZ-CG 3.73Å; F362-Y367 HydrophobicContact CZ-CG 3.73Å
363D91.3Very high88.9Confident74 Ų7472.6 Ų72.640%0.39641%0.408SS..  trans-118.5136.6169.4176.3-103000111.1A365 D366 Y367D363-A365 WeakPolarHBondContact OD1-CA 3.47Å; D363-A365 WeakPolarHBondContact OD1-CB 3.44Å; D363-A365 PolarHBondContact OD1-N 3.16Å; D363-D366 PolarHBondContact OD1-N 2.6Å; D363-Y367 VanDerWaalsContact O-CB 3.22Å; D363-Y367 WeakPolarHBondContact O-CB 3.44Å; D363-Y367 PolarHBondContact O-N 3.26Å
364W94.5Very high89.1Confident10 Ų1076.7 Ų76.74%0.03842%0.421CS..Hα-helixtrans-69.7-34.7-177.8-98.4115.7000113.3K283 L284 E285 P297 A341 Q342 F362 Y367 L368K283-W364 HydrophobicContact CB-CH2 4.14Å; K283-W364 HydrophobicContact CB-CZ3 3.84Å; K283-W364 HydrophobicContact CD-CZ3 4.21Å; L284-W364 WeakPolarHBondContact O-CH2 3.32Å; E285-W364 HydrophobicContact CG-CZ2 3.56Å; E285-W364 PolarHBondContact OE1-NE1 3.38Å; P297-W364 HydrophobicContact CB-CH2 3.79Å; P297-W364 HydrophobicContact CB-CZ2 4.03Å; P297-W364 HydrophobicContact CG-CH2 4.24Å; P297-W364 HydrophobicContact CG-CZ2 4.05Å; A341-W364 HydrophobicContact CB-CD2 3.88Å; A341-W364 HydrophobicContact CB-CE3 4.18Å; A341-W364 HydrophobicContact CB-CG 4.29Å; A341-W364 HydrophobicContact CB-CZ2 4.23Å; A341-W364 HydrophobicContact CB-CZ3 4.47Å; Q342-W364 HydrophobicContact CG-CB 4.08Å; Q342-W364 HydrophobicContact CG-CG 4.08Å; F362-W364 AromaticContact CE1-CD1 3.9Å; F362-W364 AromaticContact CE1-CD2 3.91Å; F362-W364 HydrophobicContact CE1-CD2 3.91Å; F362-W364 AromaticContact CE1-CE2 3.91Å; F362-W364 AromaticContact CE1-CG 3.92Å; F362-W364 HydrophobicContact CE1-CG 3.92Å; F362-W364 AromaticContact CE1-NE1 3.92Å; F362-W364 HydrophobicContact CZ-CD2 4.16Å; F362-W364 HydrophobicContact CZ-CE3 4.35Å; W364-Y367 HydrophobicContact CE3-CD1 4.21Å; W364-Y367 AromaticContact CZ3-CD1 3.91Å; W364-Y367 HydrophobicContact CZ3-CD1 3.91Å; W364-Y367 HydrophobicContact CZ3-CE1 4.4Å; W364-L368 HydrophobicContact CE3-CD1 4.19Å; W364-L368 HydrophobicContact CE3-CD2 4.34Å; W364-L368 HydrophobicContact CE3-CG 3.95Å; W364-L368 HydrophobicContact CZ3-CD2 4.27Å; W364-L368 HydrophobicContact CZ3-CG 4.34Å; W364-L368 WeakPolarHBondContact O-CB 3.3Å; W364-L368 VanDerWaalsContact O-CD1 3.29Å; W364-L368 WeakPolarHBondContact O-CD1 3.4Å; W364-L368 WeakPolarHBondContact O-CG 3.47Å; W364-L368 PolarHBondContact O-N 2.9Å
365A93.2Very high89.4Confident60 Ų6078.3 Ų78.350%0.49644%0.435SS..Hα-helixtrans-75.5-42.1-176.900000111.7D363 K369D363-A365 WeakPolarHBondContact OD1-CA 3.47Å; D363-A365 WeakPolarHBondContact OD1-CB 3.44Å; D363-A365 PolarHBondContact OD1-N 3.16Å; A365-K369 WeakPolarHBondContact O-CB 3.35Å; A365-K369 PolarHBondContact O-N 3.42Å
366D91.4Very high89.8Confident100 Ų10076.2 Ų76.254%0.53542%0.421SS..Hα-helixtrans-68.5-34.3172-87.8-31.1000111.9D363 K369 Q370D363-D366 PolarHBondContact OD1-N 2.6Å; D366-K369 IonicContact OD1-NZ 3.66Å; D366-K369 PolarHBondContact OD1-NZ 3.35Å; D366-Q370 WeakPolarHBondContact O-CB 3.38Å; D366-Q370 PolarHBondContact O-N 3.44Å
367Y93.4Very high90.4Very high4 Ų476.7 Ų76.72%0.01642%0.419CS..Hα-helixtrans-68.4-46.3175.8-174.3-120.2000113.4K283 P297 D314 L316 P354 F357 F362 D363 W364 K369 Q370 C371K283-Y367 HydrophobicContact CD-CD1 4.15Å; K283-Y367 HydrophobicContact CD-CE1 3.7Å; K283-Y367 PolarHBondContact NZ-OH 3.46Å; P297-Y367 HydrophobicContact CB-CE1 3.95Å; P297-Y367 HydrophobicContact CG-CE1 4.48Å; D314-Y367 PolarHBondContact OD2-OH 2.87Å; D314-Y367 VanDerWaalsContact OD2-OH 3.09Å; L316-Y367 HydrophobicContact CD1-CE2 4.19Å; L316-Y367 HydrophobicContact CD2-CE2 4.39Å; P354-Y367 HydrophobicContact CG-CE2 4.19Å; F357-Y367 HydrophobicContact CE2-CD2 4.3Å; F362-Y367 AromaticContact CE2-CD1 3.68Å; F362-Y367 HydrophobicContact CE2-CD1 3.68Å; F362-Y367 HydrophobicContact CE2-CD2 4.02Å; F362-Y367 HydrophobicContact CE2-CE1 4.28Å; F362-Y367 AromaticContact CE2-CG 3.54Å; F362-Y367 HydrophobicContact CE2-CG 3.54Å; F362-Y367 AromaticContact CZ-CD1 3.52Å; F362-Y367 HydrophobicContact CZ-CD1 3.52Å; F362-Y367 HydrophobicContact CZ-CE1 4.29Å; F362-Y367 AromaticContact CZ-CG 3.73Å; F362-Y367 HydrophobicContact CZ-CG 3.73Å; D363-Y367 VanDerWaalsContact O-CB 3.22Å; D363-Y367 WeakPolarHBondContact O-CB 3.44Å; D363-Y367 PolarHBondContact O-N 3.26Å; W364-Y367 HydrophobicContact CE3-CD1 4.21Å; W364-Y367 AromaticContact CZ3-CD1 3.91Å; W364-Y367 HydrophobicContact CZ3-CD1 3.91Å; W364-Y367 HydrophobicContact CZ3-CE1 4.4Å; Y367-K369 VanDerWaalsContact C-N 3.26Å; Y367-K369 PolarHBondContact O-N 3.08Å; Y367-Q370 PolarHBondContact O-N 3.42Å; Y367-Q370 VanDerWaalsContact O-N 3.14Å; Y367-C371 VanDerWaalsContact CE2-SG 3.57Å; Y367-C371 PolarHBondContact O-N 3.43Å
368L94.2Very high90.7Very high33 Ų3379.9 Ų79.917%0.17344%0.435CS..Hα-helixtrans-57-42.9174.7-74.5162.1000111.4K283 W364 C371 E372 A373 A375K283-L368 HydrophobicContact CB-CD2 4Å; K283-L368 HydrophobicContact CD-CD2 4.22Å; K283-L368 HydrophobicContact CG-CD2 4.48Å; W364-L368 HydrophobicContact CE3-CD1 4.19Å; W364-L368 HydrophobicContact CE3-CD2 4.34Å; W364-L368 HydrophobicContact CE3-CG 3.95Å; W364-L368 HydrophobicContact CZ3-CD2 4.27Å; W364-L368 HydrophobicContact CZ3-CG 4.34Å; W364-L368 WeakPolarHBondContact O-CB 3.3Å; W364-L368 VanDerWaalsContact O-CD1 3.29Å; W364-L368 WeakPolarHBondContact O-CD1 3.4Å; W364-L368 WeakPolarHBondContact O-CG 3.47Å; W364-L368 PolarHBondContact O-N 2.9Å; L368-C371 CarbonylContact O-C 3.59Å; L368-C371 PolarHBondContact O-N 3.46Å; L368-E372 PolarHBondContact O-N 3.4Å; L368-A373 WeakPolarHBondContact CD2-O 3.3Å; L368-A373 PolarHBondContact O-N 3.16Å; L368-A375 HydrophobicContact CD1-CB 4.02Å; L368-A375 HydrophobicContact CD2-CB 4.14Å
369K93Very high91.2Very high151 Ų15177.8 Ų77.866%0.65742%0.424SS*.Hα-helixtrans-68-33.8176.6176.7-178.4158.4-151.80113.3A365 D366 Y367A365-K369 WeakPolarHBondContact O-CB 3.35Å; A365-K369 PolarHBondContact O-N 3.42Å; D366-K369 IonicContact OD1-NZ 3.66Å; D366-K369 PolarHBondContact OD1-NZ 3.35Å; Y367-K369 VanDerWaalsContact C-N 3.26Å; Y367-K369 PolarHBondContact O-N 3.08Å
370Q90.7Very high92.1Very high125 Ų12575.9 Ų75.958%0.58441%0.405SS*.Hα-helixtrans-68.3-35.6173.1179.9-178.7-11.800111.9D366 Y367D366-Q370 WeakPolarHBondContact O-CB 3.38Å; D366-Q370 PolarHBondContact O-N 3.44Å; Y367-Q370 PolarHBondContact O-N 3.42Å; Y367-Q370 VanDerWaalsContact O-N 3.14Å
371C89.9Confident93Very high47 Ų4770.8 Ų70.832%0.31837%0.368SS..THydrogen-bonded Turntrans-90.1-0.9-179.6-69.10000114.6K283 Y367 L368 A373K283-C371 HydrophobicContact CD-CB 4.48Å; K283-C371 VanDerWaalsContact CE-SG 3.55Å; Y367-C371 VanDerWaalsContact CE2-SG 3.57Å; Y367-C371 PolarHBondContact O-N 3.43Å; L368-C371 CarbonylContact O-C 3.59Å; L368-C371 PolarHBondContact O-N 3.46Å; C371-A373 HydrophobicContact CB-CB 4.03Å; C371-A373 PolarHBondContact O-N 3.36Å
372E93.6Very high93.1Very high192 Ų19267.2 Ų67.290%0.89735%0.351SS*.THydrogen-bonded Turntrans49.935.8-171.9-57.9-169.4165.900113.2L368L368-E372 PolarHBondContact O-N 3.4Å
373A94.3Very high92.7Very high27 Ų2771.4 Ų71.422%0.22338%0.38CS..  trans-118.8157.8-169.300000113.3K283 L368 C371K283-A373 HydrophobicContact CD-CB 4.18Å; K283-A373 HydrophobicContact CG-CB 4.19Å; L368-A373 WeakPolarHBondContact CD2-O 3.3Å; L368-A373 PolarHBondContact O-N 3.16Å; C371-A373 HydrophobicContact CB-CB 4.03Å; C371-A373 PolarHBondContact O-N 3.36Å
374E96.1Very high91.9Very high151 Ų15173.2 Ų73.271%0.70639%0.387SS*.PPolyproline II helixtrans-101.3149.4174.9-64.6-170.1163.400111.7M282 K283M282-E374 WeakPolarHBondContact CA-O 3.21Å; K283-E374 PolarHBondContact N-O 2.71Å
375A97.4Very high90.5Very high35 Ų3579.5 Ų79.529%0.28942%0.416SS..BIsolated β-bridgetrans-80.6142.5173.100000111.2K283 A341 L368 P377K283-A375 CarbonylContact O-C 3.54Å; K283-A375 WeakPolarHBondContact O-CA 3.35Å; A341-A375 HydrophobicContact CB-CB 3.84Å; L368-A375 HydrophobicContact CD1-CB 4.02Å; L368-A375 HydrophobicContact CD2-CB 4.14Å; A375-P377 WeakPolarHBondContact O-CD 3.28Å
376A97.4Very high89Confident5 Ų579.8 Ų79.84%0.04143%0.425CS..PPolyproline II helixtrans-57.3123.9173.200000110.7F278 M282 K283 L284 F381F278-A376 HydrophobicContact CD1-CB 4.1Å; F278-A376 HydrophobicContact CE1-CB 3.8Å; M282-A376 HydrophobicContact CB-CB 4.25Å; M282-A376 HydrophobicContact SD-CB 4.37Å; K283-A376 PolarHBondContact O-N 3.39Å; L284-A376 HydrophobicContact CB-CB 4.11Å; A376-F381 HydrophobicContact CB-CE2 3.7Å; A376-F381 HydrophobicContact CB-CZ 3.72Å
377P95.4Very high87.6Confident43 Ų4385 Ų8528%0.27945%0.446SS..PPolyproline II helixtrans-62.6142.7-179.4-25.434.9000113.1M282 A375 H379 C380 F381M282-P377 HydrophobicContact CE-CG 4.24Å; A375-P377 WeakPolarHBondContact O-CD 3.28Å; P377-H379 WeakPolarHBondContact CB-CE1 3.41Å; P377-H379 PolarHBondContact O-N 3.37Å; P377-C380 PolarHBondContact O-N 2.79Å; P377-F381 WeakPolarHBondContact O-CD2 3.33Å
378Q92.8Very high87.1Confident113 Ų11387.6 Ų87.653%0.52846%0.458SS..G310 helixtrans-50.1-28177.7-177.667.465.800114.1
379H92.8Very high86.4Confident134 Ų13487.2 Ų87.262%0.6246%0.462SS*.G310 helixtrans-82.5-5.9-178.366.9-104.3000115C277 P377C277-H379 PolarHBondContact SG-CD2 3.48Å; P377-H379 WeakPolarHBondContact CB-CE1 3.41Å; P377-H379 PolarHBondContact O-N 3.37Å
380C93.8Very high86.4Confident2 Ų280.1 Ų80.11%0.01443%0.432CS..G310 helixtrans-88.6-7.6171.8-58.40000113.1C277 F278 P377C277-C380 HydrophobicContact CB-CB 4.34Å; C277-C380 WeakPolarHBondContact CB-SG 3.38Å; C277-C380 PolarHBondContact O-SG 3.43Å; C277-C380 WeakPolarHBondContact SG-CA 3.27Å; C277-C380 WeakPolarHBondContact SG-CB 3.38Å; C277-C380 CovalentContact SG-SG 2.05Å; C277-C380 PolarHBondContact SG-SG 2.94Å; F278-C380 HydrophobicContact CD1-CB 4.26Å; F278-C380 HydrophobicContact CD2-CB 4.22Å; F278-C380 HydrophobicContact CE1-CB 4.03Å; F278-C380 HydrophobicContact CE2-CB 3.95Å; F278-C380 WeakPolarHBondContact CE2-O 3.28Å; F278-C380 HydrophobicContact CG-CB 4.36Å; F278-C380 HydrophobicContact CZ-CB 3.85Å; F278-C380 WeakPolarHBondContact CZ-O 3.49Å; P377-C380 PolarHBondContact O-N 2.79Å
381F92.9Very high86.6Confident10 Ų1080.5 Ų80.54%0.04443%0.432CS..SBendtrans-96153173.1-59-88.5000110.4F278 L284 I338 F339 P340 A376 P377F278-F381 AromaticContact CE1-CE1 3.94Å; F278-F381 HydrophobicContact CE1-CE1 3.94Å; F278-F381 HydrophobicContact CE1-CE2 4.02Å; F278-F381 AromaticContact CE1-CZ 3.61Å; F278-F381 HydrophobicContact CE1-CZ 3.61Å; F278-F381 HydrophobicContact CZ-CD1 4.01Å; F278-F381 HydrophobicContact CZ-CD2 4.45Å; F278-F381 AromaticContact CZ-CE1 3.72Å; F278-F381 HydrophobicContact CZ-CE1 3.72Å; F278-F381 HydrophobicContact CZ-CE2 4.2Å; F278-F381 HydrophobicContact CZ-CG 4.36Å; F278-F381 AromaticContact CZ-CZ 3.83Å; F278-F381 HydrophobicContact CZ-CZ 3.83Å; L284-F381 HydrophobicContact CB-CZ 3.98Å; L284-F381 HydrophobicContact CD2-CZ 4.35Å; I338-F381 HydrophobicContact CB-CE1 4.26Å; I338-F381 HydrophobicContact CD1-CE1 4.41Å; I338-F381 HydrophobicContact CG1-CD1 4.32Å; I338-F381 HydrophobicContact CG1-CE1 4.23Å; F339-F381 WeakPolarHBondContact O-CZ 3.4Å; P340-F381 VanDerWaalsContact CA-CE2 3.46Å; P340-F381 HydrophobicContact CB-CD2 3.77Å; P340-F381 HydrophobicContact CB-CE2 3.6Å; P340-F381 HydrophobicContact CB-CZ 4.21Å; P340-F381 HydrophobicContact CG-CD2 4.19Å; P340-F381 HydrophobicContact CG-CE2 4.41Å; A376-F381 HydrophobicContact CB-CE2 3.7Å; A376-F381 HydrophobicContact CB-CZ 3.72Å; P377-F381 WeakPolarHBondContact O-CD2 3.33Å
382P87.1Confident86.8Confident53 Ų5384 Ų8434%0.34444%0.443SS..PPolyproline II helixtrans-62.3155.7173.126.2-34.3000111.8
383V81.6Confident86.9Confident130 Ų13078 Ų7879%0.78843%0.426SS*.PPolyproline II helixtrans-82131.9173.7-178.50000108.7Q385V383-Q385 PolarHBondContact O-N 2.78Å
384E73.6Confident86.9Confident113 Ų11377.9 Ų77.953%0.52842%0.421SS..PPolyproline II helixtrans-56.8125.7178.3-63.7-176.3172.100110.5W343W343-E384 PolarHBondContact NE1-OE1 2.82Å
385Q66.8Low87Confident141 Ų14171.4 Ų71.466%0.65939%0.391SS*.PPolyproline II helixtrans-85.8172.4-179.9-59-175.73.700111.6V383V383-Q385 PolarHBondContact O-N 2.78Å
386G61.7Low87Confident67 Ų6769.7 Ų69.769%0.69138%0.377SS*.  trans-67.8-176.1-169.500000116.7H388G386-H388 PolarHBondContact O-N 2.91Å
387E61.6Low87Confident209 Ų20969.5 Ų69.598%0.97738%0.375SS*.  trans-55132.5-174.9-64.1-167.8166.200113.4
388H81.6Confident87.1Confident58 Ų5867.5 Ų67.527%0.26936%0.363SS..  trans-106.5170178.257.742000112G386 F390 V415 G417 M438G386-H388 PolarHBondContact O-N 2.91Å; H388-F390 VanDerWaalsContact C-N 3.31Å; H388-F390 HydrophobicContact CB-CD2 4.27Å; H388-F390 PolarHBondContact CE1-O 3.24Å; H388-F390 PolarHBondContact ND1-N 3.48Å; H388-F390 PolarHBondContact ND1-O 2.96Å; H388-F390 PolarHBondContact O-N 2.95Å; H388-V415 WeakPolarHBondContact CE1-CG1 3.37Å; H388-V415 VanDerWaalsContact NE2-CG1 3.26Å; H388-V415 WeakPolarHBondContact NE2-CG1 3.46Å; H388-G417 VanDerWaalsContact NE2-C 3.28Å; H388-G417 PolarHBondContact NE2-O 2.87Å; H388-M438 HydrophobicContact CB-CE 3.59Å; H388-M438 HydrophobicContact CB-SD 3.73Å
389G81Confident87.2Confident25 Ų2562.5 Ų62.526%0.25834%0.34SS..SBendtrans-73.8-15.1-178.600000115.6
390F92.6Very high87.2Confident2 Ų256.6 Ų56.61%0.00931%0.313CS..  trans-79.2137.9-168.8-64.1-88.8000112.9V33 A37 F38 H388 L396 L420 M438 I443V33-F390 HydrophobicContact CG1-CD1 3.73Å; V33-F390 HydrophobicContact CG1-CE1 3.63Å; V33-F390 HydrophobicContact CG1-CG 4.48Å; V33-F390 HydrophobicContact CG1-CZ 4.29Å; V33-F390 HydrophobicContact CG2-CD1 3.96Å; V33-F390 HydrophobicContact CG2-CE1 4.25Å; A37-F390 HydrophobicContact CB-CD2 4.35Å; A37-F390 HydrophobicContact CB-CE1 4.38Å; A37-F390 HydrophobicContact CB-CE2 3.75Å; A37-F390 HydrophobicContact CB-CZ 3.77Å; F38-F390 HydrophobicContact CE1-CE1 4.21Å; F38-F390 HydrophobicContact CE1-CZ 4.37Å; F38-F390 HydrophobicContact CZ-CE1 4.21Å; H388-F390 VanDerWaalsContact C-N 3.31Å; H388-F390 HydrophobicContact CB-CD2 4.27Å; H388-F390 PolarHBondContact CE1-O 3.24Å; H388-F390 PolarHBondContact ND1-N 3.48Å; H388-F390 PolarHBondContact ND1-O 2.96Å; H388-F390 PolarHBondContact O-N 2.95Å; F390-L396 HydrophobicContact CD1-CD2 4.47Å; F390-L396 HydrophobicContact CE1-CD2 4.14Å; F390-L420 HydrophobicContact CB-CD1 4.4Å; F390-L420 HydrophobicContact CB-CD2 3.64Å; F390-L420 HydrophobicContact CD1-CD1 3.44Å; F390-L420 VanDerWaalsContact CD1-CD1 3.44Å; F390-L420 HydrophobicContact CD1-CD2 4.26Å; F390-L420 HydrophobicContact CD2-CD1 4.24Å; F390-L420 HydrophobicContact CD2-CD2 4.46Å; F390-L420 HydrophobicContact CE1-CD1 3.59Å; F390-L420 HydrophobicContact CE2-CD1 4.39Å; F390-L420 HydrophobicContact CG-CD1 3.79Å; F390-L420 HydrophobicContact CG-CD2 3.9Å; F390-L420 HydrophobicContact CG-CG 4.5Å; F390-L420 HydrophobicContact CZ-CD1 4.08Å; F390-M438 HydrophobicContact CD2-CB 3.97Å; F390-M438 HydrophobicContact CE2-CB 3.72Å; F390-M438 HydrophobicContact CE2-CE 4.47Å; F390-I443 HydrophobicContact CE1-CD1 4.3Å; F390-I443 HydrophobicContact CZ-CD1 4.18Å
391K93.8Very high87Confident134 Ų13458.4 Ų58.458%0.58332%0.324SS*.  trans-142.8153.4179.9-55.2-173.3-177-172.90111M394 V412K391-M394 HydrophobicContact CB-CE 4Å; K391-M394 HydrophobicContact CB-CG 4.2Å; K391-M394 HydrophobicContact CB-SD 3.87Å; K391-M394 HydrophobicContact CD-CE 4.21Å; K391-M394 HydrophobicContact CG-CE 4.05Å; K391-M394 HydrophobicContact CG-SD 4.28Å; K391-M394 PolarHBondContact N-SD 3.3Å; K391-M394 VanDerWaalsContact N-SD 3.39Å; K391-M394 VanDerWaalsContact O-CB 3.3Å; K391-M394 WeakPolarHBondContact O-CB 3.45Å; K391-M394 WeakPolarHBondContact O-CG 3.36Å; K391-M394 PolarHBondContact O-N 2.89Å; K391-V412 WeakPolarHBondContact O-CB 3.43Å
392E95.5Very high86.7Confident120 Ų12064.1 Ų64.156%0.56135%0.354SS*.THydrogen-bonded Turntrans-58.2148.3175.8-60.1-175.8165.100111.6M394 V412 R414 V415E392-M394 PolarHBondContact O-N 3.03Å; E392-V412 CarbonylContact C-O 3.58Å; E392-V412 WeakPolarHBondContact CA-O 3.32Å; E392-R414 WeakPolarHBondContact OE1-CA 3.49Å; E392-V415 HydrophobicContact CG-CG2 4.21Å
393A94.6Very high86.7Confident65 Ų6562.6 Ų62.654%0.53735%0.345SS..THydrogen-bonded Turntrans62.46.4-171.800000116.6V412A393-V412 PolarHBondContact N-O 2.77Å
394M95.8Very high87.2Confident26 Ų2658.9 Ų58.913%0.12832%0.324CS..EExtended strand (participates in β ladder)trans-70.6151.6168.4-71.8-177.6160.900112.2V31 V33 K391 E392 T411 V412V31-M394 CarbonylContact O-C 3.54Å; V31-M394 WeakPolarHBondContact O-CA 3.45Å; V33-M394 HydrophobicContact CB-SD 4.5Å; V33-M394 HydrophobicContact CG2-CB 3.66Å; V33-M394 HydrophobicContact CG2-CG 4.41Å; V33-M394 HydrophobicContact CG2-SD 3.97Å; K391-M394 HydrophobicContact CB-CE 4Å; K391-M394 HydrophobicContact CB-CG 4.2Å; K391-M394 HydrophobicContact CB-SD 3.87Å; K391-M394 HydrophobicContact CD-CE 4.21Å; K391-M394 HydrophobicContact CG-CE 4.05Å; K391-M394 HydrophobicContact CG-SD 4.28Å; K391-M394 PolarHBondContact N-SD 3.3Å; K391-M394 VanDerWaalsContact N-SD 3.39Å; K391-M394 VanDerWaalsContact O-CB 3.3Å; K391-M394 WeakPolarHBondContact O-CB 3.45Å; K391-M394 WeakPolarHBondContact O-CG 3.36Å; K391-M394 PolarHBondContact O-N 2.89Å; E392-M394 PolarHBondContact O-N 3.03Å; M394-T411 WeakPolarHBondContact O-CA 3.48Å; M394-V412 HydrophobicContact CB-CG2 4.36Å; M394-V412 PolarHBondContact O-N 3.4Å
395K96.8Very high88Confident14 Ų1457.8 Ų57.86%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-103.4144.3174.6-60.3-61.6-169.1179.80112W21 L25 A30 V31 A32 V33 A410 T411 E425 V446W21-K395 HydrophobicContact CH2-CB 4.3Å; W21-K395 HydrophobicContact CZ3-CB 3.83Å; W21-K395 HydrophobicContact CZ3-CG 4.25Å; L25-K395 HydrophobicContact CD2-CB 4.06Å; L25-K395 HydrophobicContact CD2-CG 3.67Å; A30-K395 HydrophobicContact CB-CD 4.38Å; A30-K395 HydrophobicContact CB-CG 3.84Å; V31-K395 PolarHBondContact O-N 3.22Å; A32-K395 WeakPolarHBondContact CA-O 3.45Å; V33-K395 PolarHBondContact N-O 2.89Å; K395-A410 WeakPolarHBondContact CA-O 3.26Å; K395-T411 WeakPolarHBondContact CD-OG1 2.95Å; K395-T411 PolarHBondContact NZ-OG1 2.66Å; K395-E425 IonicContact NZ-OE1 2.72Å; K395-E425 PolarHBondContact NZ-OE1 2.87Å; K395-E425 IonicContact NZ-OE2 3.81Å; K395-V446 HydrophobicContact CB-CG2 4.34Å
396L97.2Very high89.3Confident0 Ų053.5 Ų53.50%030%0.3CS..EExtended strand (participates in β ladder)trans-149.6176.717261.684.6000110.1V33 F38 F390 A398 A410 V412 L422 I443V33-L396 HydrophobicContact CG2-CB 4.14Å; V33-L396 HydrophobicContact CG2-CD2 4Å; F38-L396 HydrophobicContact CE1-CB 4.38Å; F38-L396 HydrophobicContact CE1-CD2 4.43Å; F38-L396 HydrophobicContact CZ-CB 3.86Å; F38-L396 HydrophobicContact CZ-CD2 4.32Å; F390-L396 HydrophobicContact CD1-CD2 4.47Å; F390-L396 HydrophobicContact CE1-CD2 4.14Å; L396-A398 HydrophobicContact CD1-CB 3.78Å; L396-A410 HydrophobicContact CD1-CB 3.85Å; L396-A410 HydrophobicContact CG-CB 4.41Å; L396-A410 PolarHBondContact N-O 3.31Å; L396-A410 VanDerWaalsContact N-O 3.13Å; L396-A410 PolarHBondContact O-N 2.8Å; L396-V412 HydrophobicContact CD2-CG2 3.78Å; L396-L422 HydrophobicContact CD1-CD1 4.05Å; L396-L422 HydrophobicContact CD1-CD2 4.49Å; L396-L422 HydrophobicContact CD2-CD2 4.06Å; L396-I443 HydrophobicContact CD1-CB 4.15Å; L396-I443 HydrophobicContact CD1-CG2 4.2Å
397E97.7Very high90.9Very high0 Ų050.3 Ų50.30%027%0.267CS..EExtended strand (participates in β ladder)trans-103.5136.5171.8-70.9175.3-170.900108.9W21 I407 H408 I443 F444 S447 W448 C449 L456W21-E397 HydrophobicContact CZ2-CG 3.57Å; W21-E397 PolarHBondContact NE1-OE1 2.88Å; E397-I407 HydrophobicContact CB-CG2 3.91Å; E397-H408 CarbonylContact C-O 3.59Å; E397-H408 WeakPolarHBondContact CA-O 3.2Å; E397-I443 CarbonylContact O-C 3.56Å; E397-I443 WeakPolarHBondContact O-CA 3.27Å; E397-F444 HydrophobicContact CB-CB 4.12Å; E397-F444 PolarHBondContact N-O 3.04Å; E397-F444 PolarHBondContact O-N 2.83Å; E397-S447 WeakPolarHBondContact OE1-CA 3.23Å; E397-S447 PolarHBondContact OE1-N 2.59Å; E397-W448 PolarHBondContact OE2-N 2.59Å; E397-C449 WeakPolarHBondContact OE2-CB 3.2Å; E397-C449 PolarHBondContact OE2-N 2.77Å; E397-C449 PolarHBondContact OE2-SG 3.35Å; E397-C449 VanDerWaalsContact OE2-SG 3.4Å; E397-L456 HydrophobicContact CB-CD1 4.49Å; E397-L456 HydrophobicContact CG-CD1 3.84Å; E397-L456 HydrophobicContact CG-CD2 4.43Å
398A97.6Very high92.5Very high2 Ų240.7 Ų40.72%0.01722%0.222CC..EExtended strand (participates in β ladder)trans-145.5144.3-176.900000113.3L396 I407 H408 A410 L422 L424 D442 I443L396-A398 HydrophobicContact CD1-CB 3.78Å; A398-I407 CarbonylContact O-C 3.54Å; A398-I407 WeakPolarHBondContact O-CA 3.45Å; A398-H408 PolarHBondContact N-O 2.99Å; A398-H408 PolarHBondContact O-N 3.38Å; A398-A410 HydrophobicContact CB-CB 3.92Å; A398-L422 HydrophobicContact CB-CD1 4.04Å; A398-L424 HydrophobicContact CB-CD2 3.8Å; A398-D442 WeakPolarHBondContact CA-O 3.34Å; A398-I443 HydrophobicContact CB-CG2 4.03Å
399V95.9Very high93.2Very high8 Ų837.9 Ų37.95%0.04821%0.21CC..EExtended strand (participates in β ladder)trans-67.1142174.8-177.90000110.5P401 P404 I407 D442 F444V399-P401 WeakPolarHBondContact O-CD 3Å; V399-P404 HydrophobicContact CG1-CB 4.2Å; V399-P404 WeakPolarHBondContact CG1-O 3.26Å; V399-I407 HydrophobicContact CG2-CG1 4.11Å; V399-D442 HydrophobicContact CB-CB 4.01Å; V399-D442 HydrophobicContact CG2-CB 3.95Å; V399-D442 PolarHBondContact N-O 3.31Å; V399-F444 HydrophobicContact CG2-CE2 3.96Å
400N92.1Very high94Very high10 Ų1036.7 Ų36.75%0.05320%0.197CC..EExtended strand (participates in β ladder)trans-86.9113.2166178.68.9000110.2L402 S403 P404 N406 L424N400-L402 PolarHBondContact O-N 3.41Å; N400-L402 VanDerWaalsContact O-N 3.13Å; N400-L402 PolarHBondContact OD1-N 2.86Å; N400-L402 VanDerWaalsContact OD1-N 3.15Å; N400-S403 PolarHBondContact ND2-OG 2.65Å; N400-S403 CarbonylContact O-C 3.59Å; N400-S403 PolarHBondContact O-N 3.02Å; N400-S403 VanDerWaalsContact O-O 3.05Å; N400-P404 WeakPolarHBondContact O-CA 3.48Å; N400-P404 VanDerWaalsContact O-N 3.16Å; N400-N406 PolarHBondContact N-O 2.8Å; N400-L424 HydrophobicContact CB-CD1 3.78Å
401P89.1Confident94.2Very high40 Ų4037.7 Ų37.726%0.2620%0.203SC..THydrogen-bonded Turntrans-64.3-20.9-177.625.8-34.4000113.6P292 V399 S403 L434P292-P401 HydrophobicContact CG-CB 4.28Å; P292-P401 HydrophobicContact CG-CG 3.99Å; V399-P401 WeakPolarHBondContact O-CD 3Å; P401-S403 VanDerWaalsContact C-N 3.32Å; P401-L434 HydrophobicContact CG-CD1 4.13Å; P401-L434 HydrophobicContact CG-CD2 3.67Å
402L86.5Confident94.3Very high129 Ų12931.3 Ų31.368%0.67518%0.176SC*.THydrogen-bonded Turntrans-81.8-10.4175-58.9178.4000113.6N400N400-L402 PolarHBondContact O-N 3.41Å; N400-L402 VanDerWaalsContact O-N 3.13Å; N400-L402 PolarHBondContact OD1-N 2.86Å; N400-L402 VanDerWaalsContact OD1-N 3.15Å
403S88.8Confident94.4Very high22 Ų2227.5 Ų27.515%0.15416%0.161CC..EExtended strand (participates in β ladder)trans-155.976175.966.20000108.4N400 P401 E405 N406N400-S403 PolarHBondContact ND2-OG 2.65Å; N400-S403 CarbonylContact O-C 3.59Å; N400-S403 PolarHBondContact O-N 3.02Å; N400-S403 VanDerWaalsContact O-O 3.05Å; P401-S403 VanDerWaalsContact C-N 3.32Å; S403-E405 VanDerWaalsContact CA-OE2 3.29Å; S403-E405 WeakPolarHBondContact CA-OE2 3.38Å; S403-E405 PolarHBondContact O-N 3.01Å; S403-N406 WeakPolarHBondContact CB-ND2 3.39Å; S403-N406 PolarHBondContact O-N 2.92Å; S403-N406 PolarHBondContact OG-ND2 2.72Å
404P90.8Very high94.4Very high51 Ų5127.7 Ų27.733%0.33115%0.147SC..EExtended strand (participates in β ladder)trans-58.8-18.9-167.7-27.636.6000114.6R191 W210 V399 N400 N406R191-P404 PolarHBondContact NH2-O 3.21Å; W210-P404 HydrophobicContact CB-CB 4.29Å; V399-P404 HydrophobicContact CG1-CB 4.2Å; V399-P404 WeakPolarHBondContact CG1-O 3.26Å; N400-P404 WeakPolarHBondContact O-CA 3.48Å; N400-P404 VanDerWaalsContact O-N 3.16Å; P404-N406 PolarHBondContact O-N 3.44Å
405E91.6Very high94.4Very high90 Ų9027.7 Ų27.742%0.42115%0.149SC..EExtended strand (participates in β ladder)trans-70.3-10.8174.181-70.5174.800114.5W210 S403 Y454W210-E405 HydrophobicContact CZ2-CB 4.45Å; S403-E405 VanDerWaalsContact CA-OE2 3.29Å; S403-E405 WeakPolarHBondContact CA-OE2 3.38Å; S403-E405 PolarHBondContact O-N 3.01Å; E405-Y454 PolarHBondContact O-OH 3.13Å; E405-Y454 VanDerWaalsContact O-OH 3.06Å
406N92.9Very high94.2Very high51 Ų5130.4 Ų30.427%0.27316%0.161SC..EExtended strand (participates in β ladder)trans-108.6120.7178.9-59.6-76000111.3N400 S403 P404 V457N400-N406 PolarHBondContact N-O 2.8Å; S403-N406 WeakPolarHBondContact CB-ND2 3.39Å; S403-N406 PolarHBondContact O-N 2.92Å; S403-N406 PolarHBondContact OG-ND2 2.72Å; P404-N406 PolarHBondContact O-N 3.44Å; N406-V457 HydrophobicContact CB-CG2 4.23Å
407I95.5Very high93.8Very high0 Ų031.6 Ų31.60%017%0.173CC..EExtended strand (participates in β ladder)trans-96.7135.5167.1-62.4176.1000108.6E397 A398 V399 F444 W448 Y454 L456 V457E397-I407 HydrophobicContact CB-CG2 3.91Å; A398-I407 CarbonylContact O-C 3.54Å; A398-I407 WeakPolarHBondContact O-CA 3.45Å; V399-I407 HydrophobicContact CG2-CG1 4.11Å; I407-F444 HydrophobicContact CD1-CD2 4Å; I407-F444 HydrophobicContact CD1-CE2 3.82Å; I407-W448 HydrophobicContact CD1-CE3 4.09Å; I407-W448 HydrophobicContact CD1-CH2 4.31Å; I407-W448 HydrophobicContact CD1-CZ3 3.53Å; I407-Y454 HydrophobicContact CB-CD1 4.37Å; I407-Y454 HydrophobicContact CB-CE1 4.46Å; I407-Y454 HydrophobicContact CD1-CD1 3.67Å; I407-Y454 HydrophobicContact CD1-CE1 3.82Å; I407-Y454 HydrophobicContact CD1-CG 4.48Å; I407-Y454 HydrophobicContact CG1-CD1 4.09Å; I407-Y454 HydrophobicContact CG1-CE1 3.92Å; I407-L456 HydrophobicContact CG2-CD1 4.19Å; I407-V457 PolarHBondContact O-N 3.4Å
408H95.7Very high93.5Very high7 Ų732.8 Ų32.83%0.03218%0.178CC..EExtended strand (participates in β ladder)trans-118.3148.7-172.9-76.7-104.4000111.9E397 A398 A410 L424 E425 L427 V457E397-H408 CarbonylContact C-O 3.59Å; E397-H408 WeakPolarHBondContact CA-O 3.2Å; A398-H408 PolarHBondContact N-O 2.99Å; A398-H408 PolarHBondContact O-N 3.38Å; H408-A410 PolarHBondContact O-N 3.32Å; H408-L424 HydrophobicContact CB-CB 4.22Å; H408-L424 HydrophobicContact CB-CD1 4.17Å; H408-L424 HydrophobicContact CB-CD2 4.24Å; H408-L424 HydrophobicContact CB-CG 4.45Å; H408-E425 PolarHBondContact ND1-O 3.43Å; H408-L427 WeakPolarHBondContact CE1-CD2 3.45Å; H408-V457 WeakPolarHBondContact CA-O 3.35Å; H408-V457 WeakPolarHBondContact CE1-CG1 3.05Å
409V95.9Very high93.3Very high0 Ų033.8 Ų33.80%018%0.182CC..EExtended strand (participates in β ladder)trans-56.5126.1156.9171.60000108.1F19 W21 Y24 E425 L456 V457F19-V409 HydrophobicContact CE1-CG2 4.17Å; F19-V409 HydrophobicContact CE2-CG2 4.3Å; F19-V409 HydrophobicContact CZ-CG2 3.71Å; W21-V409 HydrophobicContact CH2-CB 4.12Å; W21-V409 HydrophobicContact CH2-CG1 3.74Å; W21-V409 HydrophobicContact CH2-CG2 3.82Å; W21-V409 HydrophobicContact CZ2-CG2 3.83Å; W21-V409 HydrophobicContact CZ3-CG1 4.16Å; Y24-V409 HydrophobicContact CD1-CG1 4.31Å; Y24-V409 HydrophobicContact CE1-CG1 3.68Å; V409-E425 HydrophobicContact CB-CB 4.24Å; V409-E425 HydrophobicContact CG1-CB 4.18Å; V409-E425 HydrophobicContact CG1-CG 4.26Å; V409-E425 WeakPolarHBondContact CG1-OE2 3.44Å; V409-E425 VanDerWaalsContact O-CB 3.26Å; V409-E425 WeakPolarHBondContact O-CB 3.5Å; V409-E425 WeakPolarHBondContact O-CG 3.48Å; V409-E425 PolarHBondContact O-N 3.27Å; V409-L456 HydrophobicContact CG2-CD1 4.25Å; V409-L456 HydrophobicContact CG2-CD2 3.98Å; V409-L456 HydrophobicContact CG2-CG 4.15Å; V409-V457 PolarHBondContact N-O 3.29Å
410A97Very high93.3Very high0 Ų033.4 Ų33.40%018%0.18CC..EExtended strand (participates in β ladder)trans-128152.1-179.900000112.4K395 L396 A398 H408 S423 L424K395-A410 WeakPolarHBondContact CA-O 3.26Å; L396-A410 HydrophobicContact CD1-CB 3.85Å; L396-A410 HydrophobicContact CG-CB 4.41Å; L396-A410 PolarHBondContact N-O 3.31Å; L396-A410 VanDerWaalsContact N-O 3.13Å; L396-A410 PolarHBondContact O-N 2.8Å; A398-A410 HydrophobicContact CB-CB 3.92Å; H408-A410 PolarHBondContact O-N 3.32Å; A410-S423 WeakPolarHBondContact CA-O 3.47Å; A410-L424 HydrophobicContact CB-CD2 3.69Å
411T96.6Very high93.6Very high22 Ų2233.4 Ų33.414%0.13518%0.179CC..EExtended strand (participates in β ladder)trans-115.1130.9170.5-63.70000110.5M394 K395 T413 L422 S423 E425M394-T411 WeakPolarHBondContact O-CA 3.48Å; K395-T411 WeakPolarHBondContact CD-OG1 2.95Å; K395-T411 PolarHBondContact NZ-OG1 2.66Å; T411-T413 HydrophobicContact CG2-CG2 4.32Å; T411-T413 PolarHBondContact O-N 3.24Å; T411-T413 VanDerWaalsContact O-N 3.13Å; T411-L422 WeakPolarHBondContact O-CA 3.49Å; T411-S423 PolarHBondContact N-O 2.54Å; T411-S423 PolarHBondContact O-N 3.5Å; T411-E425 PolarHBondContact OG1-OE1 2.9Å
412V97.6Very high94Very high0 Ų031.5 Ų31.50%017%0.167CC..EExtended strand (participates in β ladder)trans-68.6102.6163.5-176.30000108.2V33 K391 E392 A393 M394 L396 V415 L420 W421 L422V33-V412 HydrophobicContact CG2-CG2 4.41Å; K391-V412 WeakPolarHBondContact O-CB 3.43Å; E392-V412 CarbonylContact C-O 3.58Å; E392-V412 WeakPolarHBondContact CA-O 3.32Å; A393-V412 PolarHBondContact N-O 2.77Å; M394-V412 HydrophobicContact CB-CG2 4.36Å; M394-V412 PolarHBondContact O-N 3.4Å; L396-V412 HydrophobicContact CD2-CG2 3.78Å; V412-V415 HydrophobicContact CG1-CG2 3.62Å; V412-L420 HydrophobicContact CG1-CD2 4.45Å; V412-W421 CarbonylContact C-O 3.48Å; V412-W421 WeakPolarHBondContact CA-O 3.49Å; V412-L422 HydrophobicContact CB-CD2 4.37Å; V412-L422 HydrophobicContact CG2-CD2 3.83Å
413T96.5Very high94.4Very high41 Ų4127.7 Ų27.725%0.25215%0.151SC..EExtended strand (participates in β ladder)trans-85.9-32.9-179.556.60000112.4T411 W421 E433T411-T413 HydrophobicContact CG2-CG2 4.32Å; T411-T413 PolarHBondContact O-N 3.24Å; T411-T413 VanDerWaalsContact O-N 3.13Å; T413-W421 PolarHBondContact N-O 2.88Å; T413-W421 WeakPolarHBondContact OG1-CB 3.31Å; T413-W421 PolarHBondContact OG1-O 2.76Å; T413-E433 WeakPolarHBondContact CB-OE1 3.02Å; T413-E433 PolarHBondContact OG1-OE1 2.96Å
414R95.6Very high94.7Very high68 Ų6827.2 Ų27.226%0.25715%0.147SC..EExtended strand (participates in β ladder)trans-148.1153.7-177.5-39.2170.765.2-164.30.6110.9E392 W421E392-R414 WeakPolarHBondContact OE1-CA 3.49Å; R414-W421 HydrophobicContact CB-CB 3.79Å; R414-W421 HydrophobicContact CB-CD2 4.29Å; R414-W421 HydrophobicContact CB-CE3 4.31Å; R414-W421 HydrophobicContact CB-CG 4.05Å; R414-W421 HydrophobicContact CG-CB 3.97Å; R414-W421 HydrophobicContact CG-CG 4.26Å; R414-W421 PolarHBondContact O-N 3.08Å
415V94.4Very high94.8Very high26 Ų2626.1 Ų26.116%0.15814%0.137CC..EExtended strand (participates in β ladder)trans-133.8131.5175.8-177.80000110.5H388 E392 V412 L420H388-V415 WeakPolarHBondContact CE1-CG1 3.37Å; H388-V415 VanDerWaalsContact NE2-CG1 3.26Å; H388-V415 WeakPolarHBondContact NE2-CG1 3.46Å; E392-V415 HydrophobicContact CG-CG2 4.21Å; V412-V415 HydrophobicContact CG1-CG2 3.62Å; V415-L420 HydrophobicContact CG1-CD2 4.12Å; V415-L420 HydrophobicContact CG2-CD2 3.98Å
416K92.3Very high94.5Very high71 Ų7123.3 Ų23.331%0.30913%0.132SC..EExtended strand (participates in β ladder)trans-144.5117.7175.9-68.8-67.6174.4162.50111.4W343 N347 L349 Q418 Y419 W421W343-K416 HydrophobicContact CH2-CB 4.35Å; N347-K416 HydrophobicContact CB-CD 4.3Å; N347-K416 VanDerWaalsContact O-CE 3.32Å; N347-K416 WeakPolarHBondContact O-CE 3.44Å; N347-K416 PolarHBondContact O-NZ 3.44Å; L349-K416 HydrophobicContact CD1-CB 4.34Å; L349-K416 HydrophobicContact CD1-CG 4.22Å; L349-K416 HydrophobicContact CD2-CG 4.19Å; L349-K416 HydrophobicContact CG-CG 4.36Å; K416-Q418 PolarHBondContact O-N 3.16Å; K416-Y419 PolarHBondContact N-O 2.95Å; K416-Y419 WeakPolarHBondContact O-CB 3.36Å; K416-Y419 PolarHBondContact O-N 3.49Å; K416-W421 HydrophobicContact CB-CH2 4.28Å; K416-W421 HydrophobicContact CB-CZ3 3.82Å; K416-W421 HydrophobicContact CG-CZ3 4.19Å
417G89.3Confident94.1Very high25 Ų2523.5 Ų23.526%0.25813%0.133SC..THydrogen-bonded Turntrans52.3-128.3-169.500000110.1H388 Y419H388-G417 VanDerWaalsContact NE2-C 3.28Å; H388-G417 PolarHBondContact NE2-O 2.87Å; G417-Y419 VanDerWaalsContact C-N 3.31Å; G417-Y419 PolarHBondContact O-N 3.26Å
418Q91.4Very high93.5Very high25 Ų2533.9 Ų33.912%0.11718%0.178CC..THydrogen-bonded Turntrans-88.411.6177.2-60.9168.5-7500113.6K416 H437 M438K416-Q418 PolarHBondContact O-N 3.16Å; Q418-H437 WeakPolarHBondContact CB-NE2 3.49Å; Q418-H437 PolarHBondContact O-CD2 3.29Å; Q418-H437 VanDerWaalsContact O-CD2 3.29Å; Q418-M438 HydrophobicContact CB-CG 4.04Å; Q418-M438 HydrophobicContact CB-SD 4.1Å; Q418-M438 HydrophobicContact CG-SD 4.14Å; Q418-M438 WeakPolarHBondContact O-CB 3.46Å; Q418-M438 WeakPolarHBondContact O-CG 3.39Å; Q418-M438 PolarHBondContact O-N 2.09Å
419Y94.3Very high92.8Very high23 Ų2341.1 Ų41.19%0.0921%0.212CC..EExtended strand (participates in β ladder)trans-114.4141.8-174.6-66.1-94.6000113G337 F339 W343 K416 G417 V436 H437G337-Y419 PolarHBondContact N-OH 3.35Å; F339-Y419 HydrophobicContact CD1-CE2 4.28Å; F339-Y419 HydrophobicContact CE1-CD1 4.24Å; F339-Y419 AromaticContact CE1-CD2 3.63Å; F339-Y419 HydrophobicContact CE1-CD2 3.63Å; F339-Y419 AromaticContact CE1-CE1 3.98Å; F339-Y419 HydrophobicContact CE1-CE1 3.98Å; F339-Y419 AromaticContact CE1-CE2 3.35Å; F339-Y419 HydrophobicContact CE1-CE2 3.35Å; F339-Y419 HydrophobicContact CE1-CG 4.07Å; F339-Y419 AromaticContact CE1-CZ 3.53Å; F339-Y419 AromaticContact CZ-CD1 3.88Å; F339-Y419 HydrophobicContact CZ-CD1 3.88Å; F339-Y419 HydrophobicContact CZ-CD2 4.13Å; F339-Y419 AromaticContact CZ-CE1 3.6Å; F339-Y419 HydrophobicContact CZ-CE1 3.6Å; F339-Y419 AromaticContact CZ-CE2 3.89Å; F339-Y419 HydrophobicContact CZ-CE2 3.89Å; F339-Y419 HydrophobicContact CZ-CG 4.12Å; F339-Y419 AromaticContact CZ-CZ 3.61Å; W343-Y419 HydrophobicContact CH2-CD2 4.3Å; W343-Y419 HydrophobicContact CZ2-CD2 4.34Å; K416-Y419 PolarHBondContact N-O 2.95Å; K416-Y419 WeakPolarHBondContact O-CB 3.36Å; K416-Y419 PolarHBondContact O-N 3.49Å; G417-Y419 VanDerWaalsContact C-N 3.31Å; G417-Y419 PolarHBondContact O-N 3.26Å; Y419-V436 WeakPolarHBondContact CA-O 3.43Å; Y419-H437 HydrophobicContact CD1-CB 4.25Å; Y419-H437 HydrophobicContact CE1-CB 3.94Å; Y419-H437 AromaticContact CE1-CD2 3.99Å; Y419-H437 AromaticContact CE2-CD2 3.97Å; Y419-H437 AromaticContact CZ-CD2 3.76Å
420L96.3Very high92Very high0 Ų047.4 Ų47.40%025%0.253CS..EExtended strand (participates in β ladder)trans-118.6137.6-174.3-48.7176.3000109.6F390 V412 V415 L422 I435 V436 I443F390-L420 HydrophobicContact CB-CD1 4.4Å; F390-L420 HydrophobicContact CB-CD2 3.64Å; F390-L420 HydrophobicContact CD1-CD1 3.44Å; F390-L420 VanDerWaalsContact CD1-CD1 3.44Å; F390-L420 HydrophobicContact CD1-CD2 4.26Å; F390-L420 HydrophobicContact CD2-CD1 4.24Å; F390-L420 HydrophobicContact CD2-CD2 4.46Å; F390-L420 HydrophobicContact CE1-CD1 3.59Å; F390-L420 HydrophobicContact CE2-CD1 4.39Å; F390-L420 HydrophobicContact CG-CD1 3.79Å; F390-L420 HydrophobicContact CG-CD2 3.9Å; F390-L420 HydrophobicContact CG-CG 4.5Å; F390-L420 HydrophobicContact CZ-CD1 4.08Å; V412-L420 HydrophobicContact CG1-CD2 4.45Å; V415-L420 HydrophobicContact CG1-CD2 4.12Å; V415-L420 HydrophobicContact CG2-CD2 3.98Å; L420-L422 HydrophobicContact CB-CD2 4.23Å; L420-I435 WeakPolarHBondContact O-CA 3.46Å; L420-V436 HydrophobicContact CB-CG2 3.92Å; L420-V436 HydrophobicContact CD1-CG2 4.36Å; L420-V436 PolarHBondContact N-O 2.85Å; L420-V436 PolarHBondContact O-N 3.29Å; L420-I443 HydrophobicContact CD1-CD1 4.19Å
421W97.2Very high91.5Very high11 Ų1149.2 Ų49.24%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-96.8123.5166.6-78-112.3000107.9I295 W343 L349 V412 T413 R414 K416 E433 L434 I435I295-W421 HydrophobicContact CD1-CZ2 4.41Å; W343-W421 HydrophobicContact CH2-CH2 4.46Å; L349-W421 HydrophobicContact CD1-CH2 3.47Å; L349-W421 VanDerWaalsContact CD1-CH2 3.47Å; L349-W421 HydrophobicContact CD1-CZ2 3.71Å; L349-W421 HydrophobicContact CD1-CZ3 4.44Å; L349-W421 HydrophobicContact CD2-CH2 3.89Å; L349-W421 HydrophobicContact CD2-CZ2 3.56Å; L349-W421 HydrophobicContact CG-CH2 4.35Å; L349-W421 HydrophobicContact CG-CZ2 4.25Å; V412-W421 CarbonylContact C-O 3.48Å; V412-W421 WeakPolarHBondContact CA-O 3.49Å; T413-W421 PolarHBondContact N-O 2.88Å; T413-W421 WeakPolarHBondContact OG1-CB 3.31Å; T413-W421 PolarHBondContact OG1-O 2.76Å; R414-W421 HydrophobicContact CB-CB 3.79Å; R414-W421 HydrophobicContact CB-CD2 4.29Å; R414-W421 HydrophobicContact CB-CE3 4.31Å; R414-W421 HydrophobicContact CB-CG 4.05Å; R414-W421 HydrophobicContact CG-CB 3.97Å; R414-W421 HydrophobicContact CG-CG 4.26Å; R414-W421 PolarHBondContact O-N 3.08Å; K416-W421 HydrophobicContact CB-CH2 4.28Å; K416-W421 HydrophobicContact CB-CZ3 3.82Å; K416-W421 HydrophobicContact CG-CZ3 4.19Å; W421-E433 HydrophobicContact CB-CB 4.37Å; W421-L434 CarbonylContact C-O 3.01Å; W421-L434 VanDerWaalsContact CA-O 3.3Å; W421-L434 WeakPolarHBondContact CA-O 3.28Å; W421-I435 HydrophobicContact CH2-CG2 3.93Å; W421-I435 HydrophobicContact CZ2-CD1 3.98Å; W421-I435 HydrophobicContact CZ2-CG1 4.14Å; W421-I435 HydrophobicContact CZ2-CG2 3.78Å; W421-I435 HydrophobicContact CZ3-CG2 4.45Å
422L97.4Very high91.2Very high0 Ų051.5 Ų51.50%028%0.277CS..EExtended strand (participates in β ladder)trans-114.8124.3-178.3-56.7-175.6000111.2L396 A398 T411 V412 L420 E433 L434 V436 I443L396-L422 HydrophobicContact CD1-CD1 4.05Å; L396-L422 HydrophobicContact CD1-CD2 4.49Å; L396-L422 HydrophobicContact CD2-CD2 4.06Å; A398-L422 HydrophobicContact CB-CD1 4.04Å; T411-L422 WeakPolarHBondContact O-CA 3.49Å; V412-L422 HydrophobicContact CB-CD2 4.37Å; V412-L422 HydrophobicContact CG2-CD2 3.83Å; L420-L422 HydrophobicContact CB-CD2 4.23Å; L422-E433 CarbonylContact O-C 3.59Å; L422-E433 WeakPolarHBondContact O-CA 3.43Å; L422-L434 HydrophobicContact CB-CB 4.33Å; L422-L434 PolarHBondContact N-O 1.8Å; L422-L434 PolarHBondContact O-N 2.79Å; L422-V436 HydrophobicContact CD1-CG1 4.28Å; L422-V436 HydrophobicContact CD1-CG2 3.62Å; L422-V436 HydrophobicContact CG-CG2 3.92Å; L422-I443 HydrophobicContact CD1-CG2 3.73Å
423S96Very high91.1Very high49 Ų4954.8 Ų54.834%0.34329%0.292SS..EExtended strand (participates in β ladder)trans-89.9112164.3-179.50000108.8A410 T411A410-S423 WeakPolarHBondContact CA-O 3.47Å; T411-S423 PolarHBondContact N-O 2.54Å; T411-S423 PolarHBondContact O-N 3.5Å
424L95.1Very high91Very high12 Ų1253 Ų536%0.06328%0.281CS..EExtended strand (participates in β ladder)trans-74.5141170.3-61.3-161.6000110.9A398 N400 H408 A410 L427 M431 L434A398-L424 HydrophobicContact CB-CD2 3.8Å; N400-L424 HydrophobicContact CB-CD1 3.78Å; H408-L424 HydrophobicContact CB-CB 4.22Å; H408-L424 HydrophobicContact CB-CD1 4.17Å; H408-L424 HydrophobicContact CB-CD2 4.24Å; H408-L424 HydrophobicContact CB-CG 4.45Å; A410-L424 HydrophobicContact CB-CD2 3.69Å; L424-L427 HydrophobicContact CB-CD1 3.78Å; L424-M431 HydrophobicContact CB-SD 3.92Å; L424-M431 HydrophobicContact CD1-CE 4.48Å; L424-M431 HydrophobicContact CD1-SD 3.76Å; L424-M431 HydrophobicContact CG-SD 3.97Å; L424-L434 HydrophobicContact CD1-CD1 3.72Å; L424-L434 HydrophobicContact CD2-CD1 4.1Å; L424-L434 HydrophobicContact CG-CD1 3.78Å; L424-L434 HydrophobicContact CG-CG 4.48Å
425E92.4Very high91.1Very high27 Ų2750.4 Ų50.413%0.12627%0.272CS..  trans-114.6167.2-174.3-51.5-177.3-165.100111.9Y24 K395 H408 V409 T411 L427 P459Y24-E425 PolarHBondContact OH-OE2 2.9Å; K395-E425 IonicContact NZ-OE1 2.72Å; K395-E425 PolarHBondContact NZ-OE1 2.87Å; K395-E425 IonicContact NZ-OE2 3.81Å; H408-E425 PolarHBondContact ND1-O 3.43Å; V409-E425 HydrophobicContact CB-CB 4.24Å; V409-E425 HydrophobicContact CG1-CB 4.18Å; V409-E425 HydrophobicContact CG1-CG 4.26Å; V409-E425 WeakPolarHBondContact CG1-OE2 3.44Å; V409-E425 VanDerWaalsContact O-CB 3.26Å; V409-E425 WeakPolarHBondContact O-CB 3.5Å; V409-E425 WeakPolarHBondContact O-CG 3.48Å; V409-E425 PolarHBondContact O-N 3.27Å; T411-E425 PolarHBondContact OG1-OE1 2.9Å; E425-L427 PolarHBondContact O-N 2.99Å; E425-P459 HydrophobicContact CB-CG 3.63Å; E425-P459 WeakPolarHBondContact OE2-CG 3.24Å
426G84.7Confident91.1Very high31 Ų3150 Ų5032%0.3227%0.27SS..SBendtrans77.4-6179.300000116.2Y458G426-Y458 VanDerWaalsContact CA-C 3.43Å; G426-Y458 WeakPolarHBondContact CA-O 3.47Å
427L85.8Confident91.2Very high55 Ų5548.1 Ų48.129%0.28826%0.262SS..  trans-66.8146.3178.1-68.4158.5000113H408 L424 E425 Q429 M431H408-L427 WeakPolarHBondContact CE1-CD2 3.45Å; L424-L427 HydrophobicContact CB-CD1 3.78Å; E425-L427 PolarHBondContact O-N 2.99Å; L427-Q429 VanDerWaalsContact C-N 3.28Å; L427-Q429 VanDerWaalsContact CB-O 3.28Å; L427-Q429 WeakPolarHBondContact CB-O 3.39Å; L427-Q429 PolarHBondContact O-N 3.34Å; L427-M431 HydrophobicContact CD1-CB 4.3Å; L427-M431 HydrophobicContact CD1-CG 3.57Å; L427-M431 HydrophobicContact CD1-SD 3.36Å; L427-M431 WeakPolarHBondContact CD1-SD 3.42Å
428K81.1Confident91.4Very high218 Ų21847.9 Ų47.995%0.94825%0.254SS*.SBendtrans-70.8-23.1177.4-66.6172.6-177164.20113.3
429Q81.2Confident91.4Very high159 Ų15948.9 Ų48.974%0.74326%0.261SS*.SBendtrans-134.3141.3174.2-63.8-177.93.800107.5L427 M431L427-Q429 VanDerWaalsContact C-N 3.28Å; L427-Q429 VanDerWaalsContact CB-O 3.28Å; L427-Q429 WeakPolarHBondContact CB-O 3.39Å; L427-Q429 PolarHBondContact O-N 3.34Å; Q429-M431 PolarHBondContact O-N 2.93Å
430P80.3Confident91.4Very high133 Ų13348.8 Ų48.886%0.86426%0.264SS*.PPolyproline II helixtrans-68.1128.7176.628.9-33.5000109.9
431M86.4Confident91.3Very high37 Ų3750.2 Ų50.218%0.18227%0.271CS..PPolyproline II helixtrans-95.6163.4169.670-176.2-66.300110.9L424 L427 Q429 L434L424-M431 HydrophobicContact CB-SD 3.92Å; L424-M431 HydrophobicContact CD1-CE 4.48Å; L424-M431 HydrophobicContact CD1-SD 3.76Å; L424-M431 HydrophobicContact CG-SD 3.97Å; L427-M431 HydrophobicContact CD1-CB 4.3Å; L427-M431 HydrophobicContact CD1-CG 3.57Å; L427-M431 HydrophobicContact CD1-SD 3.36Å; L427-M431 WeakPolarHBondContact CD1-SD 3.42Å; Q429-M431 PolarHBondContact O-N 2.93Å; M431-L434 HydrophobicContact CE-CD1 4.21Å; M431-L434 HydrophobicContact CE-CD2 3.51Å; M431-L434 HydrophobicContact CE-CG 3.9Å
432P90.7Very high91.2Very high71 Ų7153.1 Ų53.146%0.46129%0.287SS..PPolyproline II helixtrans-61.5162.7169.1-19.733.1000112.3I293 L434I293-P432 HydrophobicContact CB-CB 3.92Å; I293-P432 HydrophobicContact CB-CG 4.25Å; I293-P432 HydrophobicContact CD1-CG 4.1Å; I293-P432 HydrophobicContact CG2-CB 3.91Å; I293-P432 HydrophobicContact CG2-CG 4.16Å; P432-L434 PolarHBondContact O-N 2.84Å
433E93.9Very high91.2Very high69 Ų6953.2 Ų53.232%0.32229%0.288SS..PPolyproline II helixtrans-62.3132.8171.4-57.4-177.4130.100110.3T413 W421 L422T413-E433 WeakPolarHBondContact CB-OE1 3.02Å; T413-E433 PolarHBondContact OG1-OE1 2.96Å; W421-E433 HydrophobicContact CB-CB 4.37Å; L422-E433 CarbonylContact O-C 3.59Å; L422-E433 WeakPolarHBondContact O-CA 3.43Å
434L95.7Very high91.1Very high4 Ų450.9 Ų50.92%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-80.5136.6172.8-64.5-179.8000110.2P292 I293 P401 W421 L422 L424 M431 P432 V436P292-L434 HydrophobicContact CG-CD2 4.29Å; P292-L434 CarbonylContact O-C 3.54Å; P292-L434 WeakPolarHBondContact O-CA 3.48Å; I293-L434 HydrophobicContact CG2-CD2 3.88Å; P401-L434 HydrophobicContact CG-CD1 4.13Å; P401-L434 HydrophobicContact CG-CD2 3.67Å; W421-L434 CarbonylContact C-O 3.01Å; W421-L434 VanDerWaalsContact CA-O 3.3Å; W421-L434 WeakPolarHBondContact CA-O 3.28Å; L422-L434 HydrophobicContact CB-CB 4.33Å; L422-L434 PolarHBondContact N-O 1.8Å; L422-L434 PolarHBondContact O-N 2.79Å; L424-L434 HydrophobicContact CD1-CD1 3.72Å; L424-L434 HydrophobicContact CD2-CD1 4.1Å; L424-L434 HydrophobicContact CG-CD1 3.78Å; L424-L434 HydrophobicContact CG-CG 4.48Å; M431-L434 HydrophobicContact CE-CD1 4.21Å; M431-L434 HydrophobicContact CE-CD2 3.51Å; M431-L434 HydrophobicContact CE-CG 3.9Å; P432-L434 PolarHBondContact O-N 2.84Å; L434-V436 HydrophobicContact CB-CG1 4.41Å
435I96.6Very high90.9Very high12 Ų1250.5 Ų50.56%0.06227%0.269CS..EExtended strand (participates in β ladder)trans-103.2105.3177.2-48.1179.5000107.5V287 P292 I295 L420 W421V287-I435 HydrophobicContact CG1-CB 4.32Å; V287-I435 HydrophobicContact CG2-CB 4.13Å; V287-I435 HydrophobicContact CG2-CD1 4.14Å; V287-I435 HydrophobicContact CG2-CG2 3.94Å; P292-I435 PolarHBondContact O-N 3.23Å; I295-I435 HydrophobicContact CG1-CD1 3.89Å; L420-I435 WeakPolarHBondContact O-CA 3.46Å; W421-I435 HydrophobicContact CH2-CG2 3.93Å; W421-I435 HydrophobicContact CZ2-CD1 3.98Å; W421-I435 HydrophobicContact CZ2-CG1 4.14Å; W421-I435 HydrophobicContact CZ2-CG2 3.78Å; W421-I435 HydrophobicContact CZ3-CG2 4.45Å
436V95.8Very high90.6Very high19 Ų1950 Ų5012%0.11527%0.268CS..EExtended strand (participates in β ladder)trans-119.4151.3-178.3-56.30000111.2Y419 L420 L422 L434 I443Y419-V436 WeakPolarHBondContact CA-O 3.43Å; L420-V436 HydrophobicContact CB-CG2 3.92Å; L420-V436 HydrophobicContact CD1-CG2 4.36Å; L420-V436 PolarHBondContact N-O 2.85Å; L420-V436 PolarHBondContact O-N 3.29Å; L422-V436 HydrophobicContact CD1-CG1 4.28Å; L422-V436 HydrophobicContact CD1-CG2 3.62Å; L422-V436 HydrophobicContact CG-CG2 3.92Å; L434-V436 HydrophobicContact CB-CG1 4.41Å; V436-I443 HydrophobicContact CG2-CD1 4.45Å; V436-I443 HydrophobicContact CG2-CG2 4.19Å
437H94.6Very high90.5Very high30 Ų3049.6 Ų49.614%0.13926%0.261CS..EExtended strand (participates in β ladder)trans-76.7149.3167.8-173.5-113.6000110.3P336 Q418 Y419 D439 S440P336-H437 HydrophobicContact CB-CB 3.58Å; Q418-H437 WeakPolarHBondContact CB-NE2 3.49Å; Q418-H437 PolarHBondContact O-CD2 3.29Å; Q418-H437 VanDerWaalsContact O-CD2 3.29Å; Y419-H437 HydrophobicContact CD1-CB 4.25Å; Y419-H437 HydrophobicContact CE1-CB 3.94Å; Y419-H437 AromaticContact CE1-CD2 3.99Å; Y419-H437 AromaticContact CE2-CD2 3.97Å; Y419-H437 AromaticContact CZ-CD2 3.76Å; H437-D439 IonicContact CE1-OD2 3.36Å; H437-D439 PolarHBondContact ND1-N 2.77Å; H437-D439 PolarHBondContact O-N 3.5Å; H437-S440 WeakPolarHBondContact O-CB 3.43Å; H437-S440 PolarHBondContact O-N 2.91Å
438M93Very high90.6Very high20 Ų2047.4 Ų47.410%0.09925%0.249CC..THydrogen-bonded Turntrans-60.5-26.2-179.862.5168.6-78.400114.1H388 F390 Q418H388-M438 HydrophobicContact CB-CE 3.59Å; H388-M438 HydrophobicContact CB-SD 3.73Å; F390-M438 HydrophobicContact CD2-CB 3.97Å; F390-M438 HydrophobicContact CE2-CB 3.72Å; F390-M438 HydrophobicContact CE2-CE 4.47Å; Q418-M438 HydrophobicContact CB-CG 4.04Å; Q418-M438 HydrophobicContact CB-SD 4.1Å; Q418-M438 HydrophobicContact CG-SD 4.14Å; Q418-M438 WeakPolarHBondContact O-CB 3.46Å; Q418-M438 WeakPolarHBondContact O-CG 3.39Å; Q418-M438 PolarHBondContact O-N 2.09Å
439D91.6Very high90.6Very high47 Ų4737.1 Ų37.125%0.25120%0.204SC..THydrogen-bonded Turntrans-99.719.2176.1-60.4-43.1000112.6K39 H437K39-D439 VanDerWaalsContact CD-OD1 3.23Å; K39-D439 WeakPolarHBondContact CD-OD1 3.39Å; K39-D439 WeakPolarHBondContact CE-OD1 3.4Å; K39-D439 IonicContact NZ-OD1 2.7Å; K39-D439 PolarHBondContact NZ-OD1 2.69Å; K39-D439 IonicContact NZ-OD2 2.71Å; K39-D439 PolarHBondContact NZ-OD2 2.91Å; H437-D439 IonicContact CE1-OD2 3.36Å; H437-D439 PolarHBondContact ND1-N 2.77Å; H437-D439 PolarHBondContact O-N 3.5Å
440S93.9Very high90.4Very high21 Ų2136 Ų3615%0.14720%0.199CC..  trans-58.1143173.3169.50000111.1H40 H437 D442 I443H40-S440 PolarHBondContact CE1-O 3.37Å; H40-S440 PolarHBondContact ND1-O 3.33Å; H40-S440 VanDerWaalsContact ND1-O 3.16Å; H437-S440 WeakPolarHBondContact O-CB 3.43Å; H437-S440 PolarHBondContact O-N 2.91Å; S440-D442 VanDerWaalsContact C-N 3.25Å; S440-D442 PolarHBondContact O-N 2.77Å; S440-D442 PolarHBondContact OG-N 2.77Å; S440-I443 WeakPolarHBondContact O-CG1 3.27Å
441L93.9Very high90Very high29 Ų2935.2 Ų35.215%0.15219%0.192CC..THydrogen-bonded Turntrans-85.52.9178.1-51.8179.5000113.1H40 F212 L214 H215 F444H40-L441 HydrophobicContact CB-CD2 3.43Å; H40-L441 VanDerWaalsContact CB-CD2 3.43Å; F212-L441 HydrophobicContact CB-CB 3.72Å; F212-L441 HydrophobicContact CB-CD1 4.18Å; F212-L441 HydrophobicContact CB-CG 4.47Å; F212-L441 HydrophobicContact CD1-CD2 4.36Å; F212-L441 HydrophobicContact CG-CB 4.28Å; L214-L441 HydrophobicContact CB-CD1 4.37Å; L214-L441 HydrophobicContact CB-CD2 4.43Å; H215-L441 HydrophobicContact CB-CD1 4.02Å; L441-F444 WeakPolarHBondContact O-CZ 3.41Å
442D95.8Very high89.4Confident73 Ų7336.4 Ų36.439%0.3920%0.199SC..THydrogen-bonded Turntrans-108.99.5-175.4-67.5-68.1000112.9A398 V399 S440A398-D442 WeakPolarHBondContact CA-O 3.34Å; V399-D442 HydrophobicContact CB-CB 4.01Å; V399-D442 HydrophobicContact CG2-CB 3.95Å; V399-D442 PolarHBondContact N-O 3.31Å; S440-D442 VanDerWaalsContact C-N 3.25Å; S440-D442 PolarHBondContact O-N 2.77Å; S440-D442 PolarHBondContact OG-N 2.77Å
443I96.9Very high88.7Confident2 Ų236.2 Ų36.21%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-126133.2179.160.7173.8000110.4F38 H40 F390 L396 E397 A398 L420 L422 V436 S440F38-I443 HydrophobicContact CD1-CG1 4.18Å; F38-I443 VanDerWaalsContact CD1-O 3.24Å; F38-I443 WeakPolarHBondContact CD1-O 3.42Å; F38-I443 HydrophobicContact CE1-CB 4.2Å; F38-I443 HydrophobicContact CE1-CD1 4.34Å; F38-I443 HydrophobicContact CE1-CG1 4.1Å; H40-I443 PolarHBondContact CE1-O 3.07Å; H40-I443 PolarHBondContact NE2-O 3.2Å; H40-I443 VanDerWaalsContact NE2-O 3.17Å; F390-I443 HydrophobicContact CE1-CD1 4.3Å; F390-I443 HydrophobicContact CZ-CD1 4.18Å; L396-I443 HydrophobicContact CD1-CB 4.15Å; L396-I443 HydrophobicContact CD1-CG2 4.2Å; E397-I443 CarbonylContact O-C 3.56Å; E397-I443 WeakPolarHBondContact O-CA 3.27Å; A398-I443 HydrophobicContact CB-CG2 4.03Å; L420-I443 HydrophobicContact CD1-CD1 4.19Å; L422-I443 HydrophobicContact CD1-CG2 3.73Å; V436-I443 HydrophobicContact CG2-CD1 4.45Å; V436-I443 HydrophobicContact CG2-CG2 4.19Å; S440-I443 WeakPolarHBondContact O-CG1 3.27Å
444F94.6Very high88.3Confident0 Ų034 Ų340%020%0.199CC..EExtended strand (participates in β ladder)trans-131.3153.8-169.4-56.6-68.8000111.3F38 H40 V41 F212 E397 V399 I407 L441 W448F38-F444 VanDerWaalsContact CE1-C 3.46Å; F38-F444 WeakPolarHBondContact CZ-O 3.4Å; H40-F444 AromaticContact NE2-CD1 3.65Å; H40-F444 AromaticContact NE2-CE1 3.55Å; V41-F444 HydrophobicContact CG2-CD1 3.99Å; F212-F444 HydrophobicContact CD2-CE1 4.07Å; F212-F444 HydrophobicContact CD2-CZ 4.36Å; F212-F444 HydrophobicContact CE2-CE1 4.03Å; E397-F444 HydrophobicContact CB-CB 4.12Å; E397-F444 PolarHBondContact N-O 3.04Å; E397-F444 PolarHBondContact O-N 2.83Å; V399-F444 HydrophobicContact CG2-CE2 3.96Å; I407-F444 HydrophobicContact CD1-CD2 4Å; I407-F444 HydrophobicContact CD1-CE2 3.82Å; L441-F444 WeakPolarHBondContact O-CZ 3.41Å; F444-W448 HydrophobicContact CB-CB 3.7Å; F444-W448 HydrophobicContact CB-CD2 4.05Å; F444-W448 HydrophobicContact CB-CE3 4.48Å; F444-W448 HydrophobicContact CB-CG 3.69Å; F444-W448 AromaticContact CD1-CD1 3.98Å; F444-W448 AromaticContact CD1-CD2 3.98Å; F444-W448 HydrophobicContact CD1-CD2 3.98Å; F444-W448 AromaticContact CD1-CE2 3.84Å; F444-W448 HydrophobicContact CD1-CG 4.11Å; F444-W448 HydrophobicContact CD1-CZ2 4.41Å; F444-W448 AromaticContact CD1-NE1 3.79Å; F444-W448 HydrophobicContact CD2-CD2 4.39Å; F444-W448 HydrophobicContact CD2-CE3 4.28Å; F444-W448 HydrophobicContact CE1-CZ2 4.27Å; F444-W448 AromaticContact CG-CD2 3.87Å; F444-W448 HydrophobicContact CG-CD2 3.87Å; F444-W448 HydrophobicContact CG-CE3 4.2Å; F444-W448 AromaticContact CG-CG 4Å; F444-W448 HydrophobicContact CG-CG 4Å
445P90.1Very high88Confident3 Ų338 Ų382%0.01923%0.225CC..  trans-65.4159.4174.627.1-33.1000111.8H35 F38 V41 S447 W448H35-P445 WeakPolarHBondContact ND1-CB 3.33Å; F38-P445 HydrophobicContact CD2-CB 3.7Å; F38-P445 HydrophobicContact CD2-CG 4.15Å; F38-P445 VanDerWaalsContact CE2-CA 3.49Å; F38-P445 HydrophobicContact CE2-CB 3.72Å; F38-P445 HydrophobicContact CG-CB 4.46Å; F38-P445 HydrophobicContact CG-CG 4.49Å; F38-P445 HydrophobicContact CZ-CB 4.49Å; V41-P445 HydrophobicContact CG1-CG 4.49Å; P445-S447 PolarHBondContact O-N 2.81Å; P445-W448 HydrophobicContact CG-CB 4.26Å; P445-W448 VanDerWaalsContact O-CB 3.27Å; P445-W448 WeakPolarHBondContact O-CB 3.26Å; P445-W448 PolarHBondContact O-N 2.97Å; P445-W448 VanDerWaalsContact O-N 3.08Å
446V86.8Confident87.8Confident16 Ų1638.9 Ų38.910%0.09723%0.229CC..THydrogen-bonded Turntrans-55.4134.2172.61610000110.8W21 A32 K395 W448W21-V446 HydrophobicContact CB-CG1 3.75Å; W21-V446 HydrophobicContact CD2-CB 4.42Å; W21-V446 HydrophobicContact CD2-CG1 3.61Å; W21-V446 HydrophobicContact CD2-CG2 4.21Å; W21-V446 HydrophobicContact CE3-CG1 4.06Å; W21-V446 HydrophobicContact CE3-CG2 4.08Å; W21-V446 HydrophobicContact CG-CG1 3.5Å; W21-V446 VanDerWaalsContact CG-CG1 3.5Å; W21-V446 HydrophobicContact CH2-CG2 4.04Å; W21-V446 HydrophobicContact CZ2-CG2 4.2Å; W21-V446 HydrophobicContact CZ3-CG2 4Å; A32-V446 HydrophobicContact CB-CB 3.88Å; A32-V446 HydrophobicContact CB-CG1 4.37Å; A32-V446 HydrophobicContact CB-CG2 3.63Å; K395-V446 HydrophobicContact CB-CG2 4.34Å; V446-W448 VanDerWaalsContact C-N 3.32Å
447S82Confident87.7Confident24 Ų2439.8 Ų39.817%0.16824%0.235CC..THydrogen-bonded Turntrans66.521-174.2-67.70000115W21 E397 P445 E450 T451W21-S447 VanDerWaalsContact CD1-OG 3.26Å; E397-S447 WeakPolarHBondContact OE1-CA 3.23Å; E397-S447 PolarHBondContact OE1-N 2.59Å; P445-S447 PolarHBondContact O-N 2.81Å; S447-E450 WeakPolarHBondContact CB-OE2 3.46Å; S447-E450 PolarHBondContact O-N 3.16Å; S447-E450 PolarHBondContact OG-OE2 3.13Å; S447-T451 VanDerWaalsContact O-CB 3.27Å; S447-T451 WeakPolarHBondContact O-CB 3.44Å; S447-T451 PolarHBondContact O-N 2.82Å; S447-T451 PolarHBondContact O-OG1 3.42Å
448W87.1Confident87.4Confident9 Ų941.1 Ų41.13%0.03424%0.239CC..Hα-helixtrans-63.8-47.6167.2-18096.9000110.9V188 R191 E397 I407 F444 P445 V446 E450 T451 N452 Y454V188-W448 HydrophobicContact CG1-CH2 4.36Å; V188-W448 VanDerWaalsContact O-CH2 3.29Å; V188-W448 WeakPolarHBondContact O-CH2 3.4Å; V188-W448 VanDerWaalsContact O-CZ2 3.27Å; V188-W448 WeakPolarHBondContact O-CZ2 3.39Å; R191-W448 HydrophobicContact CB-CH2 4.13Å; R191-W448 HydrophobicContact CB-CZ2 4.35Å; E397-W448 PolarHBondContact OE2-N 2.59Å; I407-W448 HydrophobicContact CD1-CE3 4.09Å; I407-W448 HydrophobicContact CD1-CH2 4.31Å; I407-W448 HydrophobicContact CD1-CZ3 3.53Å; F444-W448 HydrophobicContact CB-CB 3.7Å; F444-W448 HydrophobicContact CB-CD2 4.05Å; F444-W448 HydrophobicContact CB-CE3 4.48Å; F444-W448 HydrophobicContact CB-CG 3.69Å; F444-W448 AromaticContact CD1-CD1 3.98Å; F444-W448 AromaticContact CD1-CD2 3.98Å; F444-W448 HydrophobicContact CD1-CD2 3.98Å; F444-W448 AromaticContact CD1-CE2 3.84Å; F444-W448 HydrophobicContact CD1-CG 4.11Å; F444-W448 HydrophobicContact CD1-CZ2 4.41Å; F444-W448 AromaticContact CD1-NE1 3.79Å; F444-W448 HydrophobicContact CD2-CD2 4.39Å; F444-W448 HydrophobicContact CD2-CE3 4.28Å; F444-W448 HydrophobicContact CE1-CZ2 4.27Å; F444-W448 AromaticContact CG-CD2 3.87Å; F444-W448 HydrophobicContact CG-CD2 3.87Å; F444-W448 HydrophobicContact CG-CE3 4.2Å; F444-W448 AromaticContact CG-CG 4Å; F444-W448 HydrophobicContact CG-CG 4Å; P445-W448 HydrophobicContact CG-CB 4.26Å; P445-W448 VanDerWaalsContact O-CB 3.27Å; P445-W448 WeakPolarHBondContact O-CB 3.26Å; P445-W448 PolarHBondContact O-N 2.97Å; P445-W448 VanDerWaalsContact O-N 3.08Å; V446-W448 VanDerWaalsContact C-N 3.32Å; W448-E450 VanDerWaalsContact C-N 3.33Å; W448-E450 PolarHBondContact O-N 2.86Å; W448-T451 PolarHBondContact O-N 3Å; W448-N452 PolarHBondContact NE1-ND2 2.66Å; W448-N452 PolarHBondContact O-N 3.03Å; W448-N452 PolarHBondContact O-ND2 2.85Å; W448-Y454 HydrophobicContact CZ3-CD1 4.5Å; W448-Y454 HydrophobicContact CZ3-CG 4.18Å
449C81.9Confident87Confident2 Ų241.9 Ų41.91%0.01425%0.246CC..Hα-helixtrans-59.3-42.9174.5-78.90000111.8E397 T451 G453 Y454 L456E397-C449 WeakPolarHBondContact OE2-CB 3.2Å; E397-C449 PolarHBondContact OE2-N 2.77Å; E397-C449 PolarHBondContact OE2-SG 3.35Å; E397-C449 VanDerWaalsContact OE2-SG 3.4Å; C449-T451 PolarHBondContact O-N 2.98Å; C449-G453 CarbonylContact O-C 3.57Å; C449-G453 WeakPolarHBondContact O-CA 3.32Å; C449-G453 PolarHBondContact O-N 3.16Å; C449-Y454 WeakPolarHBondContact CB-O 3.31Å; C449-Y454 PolarHBondContact O-N 3.46Å; C449-L456 HydrophobicContact CB-CB 3.87Å
450E77.6Confident85.8Confident136 Ų13645.5 Ų45.564%0.63626%0.264SS*.Hα-helixtrans-65.4-39178.8-178.1176.5-161.300111.8S447 W448S447-E450 WeakPolarHBondContact CB-OE2 3.46Å; S447-E450 PolarHBondContact O-N 3.16Å; S447-E450 PolarHBondContact OG-OE2 3.13Å; W448-E450 VanDerWaalsContact C-N 3.33Å; W448-E450 PolarHBondContact O-N 2.86Å
451T70.8Confident84.1Confident115 Ų11549.6 Ų49.671%0.70628%0.279SS*.Hα-helixtrans-70.4-42.1-179.5-600000111.7S447 W448 C449S447-T451 VanDerWaalsContact O-CB 3.27Å; S447-T451 WeakPolarHBondContact O-CB 3.44Å; S447-T451 PolarHBondContact O-N 2.82Å; S447-T451 PolarHBondContact O-OG1 3.42Å; W448-T451 PolarHBondContact O-N 3Å; C449-T451 PolarHBondContact O-N 2.98Å
452N74.5Confident81.7Confident63 Ų6353.6 Ų53.634%0.33731%0.307SS..Hα-helixtrans-92.3-2.9-177.3-63.1-78.9000113.6V188 G189 W448V188-N452 HydrophobicContact CG1-CB 3.58Å; V188-N452 WeakPolarHBondContact CG1-O 3.32Å; G189-N452 VanDerWaalsContact CA-OD1 3.23Å; G189-N452 WeakPolarHBondContact CA-OD1 3.26Å; W448-N452 PolarHBondContact NE1-ND2 2.66Å; W448-N452 PolarHBondContact O-N 3.03Å; W448-N452 PolarHBondContact O-ND2 2.85Å
453G76.4Confident79Confident67 Ų6755.3 Ų55.369%0.69133%0.325SS*.THydrogen-bonded Turntrans77.413.5-179.300000115.4C449C449-G453 CarbonylContact O-C 3.57Å; C449-G453 WeakPolarHBondContact O-CA 3.32Å; C449-G453 PolarHBondContact O-N 3.16Å
454Y84.9Confident76Confident22 Ų2261.2 Ų61.29%0.08636%0.36CS..PPolyproline II helixtrans-77.8145.6-179.9-153.4-100000112V188 R191 W210 E405 I407 W448 C449 L456V188-Y454 HydrophobicContact CB-CD2 3.98Å; V188-Y454 HydrophobicContact CG1-CD2 3.84Å; V188-Y454 HydrophobicContact CG1-CG 4.42Å; V188-Y454 HydrophobicContact CG2-CD2 4.04Å; V188-Y454 HydrophobicContact CG2-CE2 4.4Å; R191-Y454 PolarHBondContact NH1-OH 2.86Å; R191-Y454 PolarHBondContact NH2-OH 2.9Å; W210-Y454 AromaticContact CH2-CE2 3.88Å; W210-Y454 HydrophobicContact CH2-CE2 3.88Å; W210-Y454 WeakPolarHBondContact CH2-OH 3.45Å; W210-Y454 VanDerWaalsContact CZ2-OH 3.32Å; W210-Y454 WeakPolarHBondContact CZ2-OH 3.45Å; W210-Y454 HydrophobicContact CZ3-CE2 4.26Å; E405-Y454 PolarHBondContact O-OH 3.13Å; E405-Y454 VanDerWaalsContact O-OH 3.06Å; I407-Y454 HydrophobicContact CB-CD1 4.37Å; I407-Y454 HydrophobicContact CB-CE1 4.46Å; I407-Y454 HydrophobicContact CD1-CD1 3.67Å; I407-Y454 HydrophobicContact CD1-CE1 3.82Å; I407-Y454 HydrophobicContact CD1-CG 4.48Å; I407-Y454 HydrophobicContact CG1-CD1 4.09Å; I407-Y454 HydrophobicContact CG1-CE1 3.92Å; W448-Y454 HydrophobicContact CZ3-CD1 4.5Å; W448-Y454 HydrophobicContact CZ3-CG 4.18Å; C449-Y454 WeakPolarHBondContact CB-O 3.31Å; C449-Y454 PolarHBondContact O-N 3.46Å; Y454-L456 PolarHBondContact O-N 3.44Å
455P89.7Confident73.2Confident88 Ų8868 Ų6857%0.57139%0.392SS*.PPolyproline II helixtrans-69.4120.1175.327.2-35.3000112.7
456L92.2Very high70.5Confident30 Ų3077 Ų7716%0.15743%0.431CS..EExtended strand (participates in β ladder)trans-95.1132.5171.8-17963.8000111.4F19 W21 E397 I407 V409 C449 Y454 Y458F19-L456 HydrophobicContact CD1-CD2 4Å; F19-L456 HydrophobicContact CE1-CD2 3.69Å; W21-L456 HydrophobicContact CZ2-CD2 3.87Å; E397-L456 HydrophobicContact CB-CD1 4.49Å; E397-L456 HydrophobicContact CG-CD1 3.84Å; E397-L456 HydrophobicContact CG-CD2 4.43Å; I407-L456 HydrophobicContact CG2-CD1 4.19Å; V409-L456 HydrophobicContact CG2-CD1 4.25Å; V409-L456 HydrophobicContact CG2-CD2 3.98Å; V409-L456 HydrophobicContact CG2-CG 4.15Å; C449-L456 HydrophobicContact CB-CB 3.87Å; Y454-L456 PolarHBondContact O-N 3.44Å; L456-Y458 VanDerWaalsContact O-CD1 3.32Å; L456-Y458 WeakPolarHBondContact O-CD1 3.23Å
457V93Very high67.8Low39 Ų3984.2 Ų84.224%0.23646%0.464CS..EExtended strand (participates in β ladder)trans-95.1130173.7-174.20000110.7N406 I407 H408 V409N406-V457 HydrophobicContact CB-CG2 4.23Å; I407-V457 PolarHBondContact O-N 3.4Å; H408-V457 WeakPolarHBondContact CA-O 3.35Å; H408-V457 WeakPolarHBondContact CE1-CG1 3.05Å; V409-V457 PolarHBondContact N-O 3.29Å
458Y89.3Confident65.6Low57 Ų5792.2 Ų92.222%0.22449%0.49CS..  trans-142.1163.1-171.255.7-94.1000113F19 G426 L456 I460F19-Y458 HydrophobicContact CB-CD1 3.63Å; F19-Y458 HydrophobicContact CB-CD2 4Å; F19-Y458 HydrophobicContact CB-CE1 3.56Å; F19-Y458 HydrophobicContact CB-CE2 3.93Å; F19-Y458 HydrophobicContact CB-CG 3.86Å; F19-Y458 HydrophobicContact CD1-CD1 4.32Å; F19-Y458 HydrophobicContact CD1-CG 4.47Å; F19-Y458 HydrophobicContact CD2-CD1 4.08Å; F19-Y458 AromaticContact CD2-CD2 3.66Å; F19-Y458 HydrophobicContact CD2-CD2 3.66Å; F19-Y458 HydrophobicContact CD2-CE2 4.36Å; F19-Y458 AromaticContact CD2-CG 3.5Å; F19-Y458 HydrophobicContact CD2-CG 3.5Å; F19-Y458 HydrophobicContact CE2-CD2 4.48Å; F19-Y458 HydrophobicContact CE2-CG 4.14Å; F19-Y458 AromaticContact CG-CD1 3.77Å; F19-Y458 HydrophobicContact CG-CD1 3.77Å; F19-Y458 HydrophobicContact CG-CD2 4.09Å; F19-Y458 HydrophobicContact CG-CE1 4.23Å; F19-Y458 AromaticContact CG-CG 3.7Å; F19-Y458 HydrophobicContact CG-CG 3.7Å; G426-Y458 VanDerWaalsContact CA-C 3.43Å; G426-Y458 WeakPolarHBondContact CA-O 3.47Å; L456-Y458 VanDerWaalsContact O-CD1 3.32Å; L456-Y458 WeakPolarHBondContact O-CD1 3.23Å; Y458-I460 HydrophobicContact CE2-CG1 4.28Å; Y458-I460 PolarHBondContact O-N 3.41Å
459P82.9Confident62.9Low36 Ų36101.3 Ų101.323%0.23453%0.53CS..  trans-58.899.1175.5-31.740.6000115.7E425 K461E425-P459 HydrophobicContact CB-CG 3.63Å; E425-P459 WeakPolarHBondContact OE2-CG 3.24Å; P459-K461 VanDerWaalsContact C-N 3.34Å; P459-K461 PolarHBondContact O-N 3.24Å
460I68.3Low60.4Low124 Ų124108.2 Ų108.264%0.63657%0.565SS**  trans-70.790.5165.7-53.6179.3000108.9Y458 P462Y458-I460 HydrophobicContact CE2-CG1 4.28Å; Y458-I460 PolarHBondContact O-N 3.41Å; I460-P462 VanDerWaalsContact O-CD 3.31Å; I460-P462 WeakPolarHBondContact O-CD 3.19Å
461K57.6Low58Low106 Ų106106.3 Ų106.346%0.46157%0.572SS.*  trans-66.3116.2175.7-70.2175.8-179173.20109.9E27 P459 S463E27-K461 IonicContact OE1-NZ 3.69Å; E27-K461 PolarHBondContact OE1-NZ 3.04Å; E27-K461 IonicContact OE2-NZ 2.76Å; E27-K461 PolarHBondContact OE2-NZ 3.16Å; P459-K461 VanDerWaalsContact C-N 3.34Å; P459-K461 PolarHBondContact O-N 3.24Å; K461-S463 PolarHBondContact O-N 3.11Å
462P42.9Very low56Low113 Ų113106.9 Ų106.973%0.73458%0.576SS**  trans-64.1130177.225.5-33.3000110I460 V464I460-P462 VanDerWaalsContact O-CD 3.31Å; I460-P462 WeakPolarHBondContact O-CD 3.19Å; P462-V464 PolarHBondContact O-N 3.43Å
463S38.7Very low53.7Low110 Ų110110.6 Ų110.677%0.76960%0.6SS**  trans-7196.4-17366.80000111.6K461 E465K461-S463 PolarHBondContact O-N 3.11Å; S463-E465 VanDerWaalsContact C-N 3.33Å; S463-E465 PolarHBondContact O-N 3.03Å
464V33.6Very low51.3Low125 Ų125115.6 Ų115.676%0.75861%0.606SS**  trans-66.391.9169.7-175.60000108.9P462 K466P462-V464 PolarHBondContact O-N 3.43Å; V464-K466 PolarHBondContact O-N 3.2Å
465E36Very low48.7Very low143 Ų143120.2 Ų120.267%0.66864%0.638SS**  trans-59.3108.2171.6-79-150.8136.500108.8S463 E467 R574S463-E465 VanDerWaalsContact C-N 3.33Å; S463-E465 PolarHBondContact O-N 3.03Å; E465-E467 VanDerWaalsContact C-N 3.32Å; E465-E467 PolarHBondContact O-N 2.75Å; E465-R574 IonicContact OE1-NH2 3.18Å
466K33.5Very low45.6Very low191 Ų191125.6 Ų125.683%0.8366%0.656SS**  trans-71.288.7177.8-75.5178.2176.7169.60109.5V464 R468V464-K466 PolarHBondContact O-N 3.2Å; K466-R468 PolarHBondContact O-N 2.95Å
467E29.8Very low42.5Very low169 Ų169132.5 Ų132.579%0.7969%0.685SS**  trans-43.8111.2176.9-78.2-158.9144.800111.7E465 K469E465-E467 VanDerWaalsContact C-N 3.32Å; E465-E467 PolarHBondContact O-N 2.75Å; E467-K469 PolarHBondContact O-N 3.17Å
468R36.3Very low39.2Very low192 Ų192138.3 Ų138.373%0.72571%0.709SS**  trans-87.8104.4163.8-72.1-177.3173.7173.8-0.5107.7K466 I470K466-R468 PolarHBondContact O-N 2.95Å; R468-I470 PolarHBondContact O-N 3.11Å
469K30.4Very low36Very low199 Ų199146.4 Ų146.487%0.86574%0.739SS**  trans-57.2105.2172.8-65.1-174.5178.1-176.30110E467E467-K469 PolarHBondContact O-N 3.17Å
470I28.8Very low33.1Very low148 Ų148150.8 Ų150.876%0.75977%0.765SS**  trans-106.3135.9174.5-69.1166.3000107.9R468R468-I470 PolarHBondContact O-N 3.11Å
471A27.8Very low31.5Very low95 Ų95150.2 Ų150.279%0.78577%0.77SS**  trans-76.3135.5178.700000111.1
472V29.7Very low30.3Very low128 Ų128151 Ų15178%0.77679%0.785SS**  trans-74.3133.6-174.7177.90000112Q474V472-Q474 HydrophobicContact CG1-CG 4.35Å
473V26.6Very low29.5Very low140 Ų140155.5 Ų155.585%0.84879%0.793SS**  trans-132.7134.4154.5-177.40000107.4
474Q26Very low28.8Very low173 Ų173155.4 Ų155.481%0.80879%0.793SS**PPolyproline II helixtrans-85.5154.1-172.9-63.5-173.424.600113V472V472-Q474 HydrophobicContact CG1-CG 4.35Å
475P30.5Very low28.3Very low118 Ų118155.2 Ų155.277%0.76680%0.797SS**PPolyproline II helixtrans-91.3150.6-179.535.8-35.1000114
476E24.5Very low27.7Very low202 Ų202153.6 Ų153.694%0.94480%0.801SS**PPolyproline II helixtrans-88.4164.4160.6-74.5-165.496.900112
477K25.6Very low28Very low175 Ų175149.4 Ų149.476%0.76179%0.794SS**  trans-109167.2-157.5-64.9179.41771790115
478H24.1Very low27.7Very low160 Ų160149 Ų14974%0.74180%0.797SS**  trans84.1149.4162.4-55.6112.2000116.3
479R22Very low27.2Very low228 Ų228144.1 Ų144.186%0.8680%0.798SS**  cis-154149.39.5-131.7160.9-157-174.74.8111.1
480T23.4Very low27Very low128 Ų128141.8 Ų141.879%0.78580%0.8SS**  trans-95-174160.453.10000109.2
481P33.2Very low26.9Very low112 Ų112142.7 Ų142.773%0.72780%0.798SS**  cis-130.3-144.41.844.6-24.2000110.9
482P31.9Very low26.9Very low121 Ų121147.7 Ų147.779%0.78681%0.805SS**  cis-131.3-164.2-1438.5-17.3000115.6
483K27.3Very low26.7Very low209 Ų209149 Ų14991%0.90980%0.803SS**  trans-111.4155.7-178.9-51172.8-179.9177.80113.1
484S24Very low26.7Very low108 Ų108150.4 Ų150.476%0.75580%0.804SS**  trans-173.1114.6155.756.10000110
485S23.4Very low26.7Very low121 Ų121146.4 Ų146.485%0.84680%0.801SS**  98157.99170.20000114.3
486S22.2Very low26.4Very low109 Ų109147.8 Ų147.876%0.76280%0.802SS**  trans-103-163.4-169.358.70000112.1
487P40.2Very low26.5Very low103 Ų103147.2 Ų147.267%0.66980%0.799SS**  cis-138.5-167.6-741.8-21.9000116.2
488D24.8Very low26.6Very low159 Ų159142.7 Ų142.785%0.8579%0.79SS**  trans79.7163.2146-77.3-50.4000124.5
489A24.7Very low26.8Very low91 Ų91142.8 Ų142.875%0.75279%0.79SS**  trans-122.2176.6-146.800000115.8
490V27.3Very low26.9Very low150 Ų150138.5 Ų138.591%0.90979%0.789SS**  trans-161.3155.5146.7131.10000111.2
491K26.3Very low27.1Very low166 Ų166135.2 Ų135.272%0.72278%0.781SS**  trans-95.6163.4-172.1-56.4172.4179.3176.10114
492Q27.8Very low26.8Very low200 Ų200133.9 Ų133.994%0.93579%0.788SS**  trans-146.4158.6133-110.917314.800110.8
493Q24.9Very low26.9Very low156 Ų156137.8 Ų137.873%0.72980%0.796SS**  trans-134.5-172.1-163.3-66.8174.5-103.100112
494I27.3Very low27.1Very low170 Ų170131.4 Ų131.487%0.87279%0.79SS**  trans88.6120.7175.5-57.6176.1000112.4
495A24.6Very low28Very low89 Ų89132.1 Ų132.174%0.73679%0.785SS**  cis-154.8175.4-6.900000113.5
496N25.5Very low29.4Very low147 Ų147129.6 Ų129.679%0.78678%0.778SS**  trans-81.9158.2-174-49.7-9.6000114.4
497Q25.7Very low31.1Very low189 Ų189130.6 Ų130.688%0.88377%0.768SS**  -149.5105106.5-108.8169.353.600111.4
498S28.9Very low32.5Very low81 Ų81130.8 Ų130.857%0.56676%0.756SS**  trans-5.4141.7142.745.70000118
499E26.8Very low34.8Very low161 Ų161126 Ų12675%0.75274%0.735SS**  cis-151.3-167.9-1.6-99.8-29.912200107.1
500T25Very low37.4Very low138 Ų138121.7 Ų121.785%0.84770%0.699SS**  cis-155.4162.417-30.90000110.6
501G28Very low40.1Very low59 Ų59117 Ų11761%0.60867%0.672SS**  trans153.8137.8161.100000114.7
502G26.9Very low43Very low85 Ų85113 Ų11388%0.87666%0.655SS**  trans-66.7134.8178.900000113
503Q32.3Very low46.1Very low202 Ų202103.5 Ų103.594%0.94461%0.61SS**  trans-90.4122.9178.7-67.6-171.6-5.800111.5
504G33.4Very low49.2Very low76 Ų7698.2 Ų98.278%0.78458%0.584SS**SBendtrans-146.6-24.8-178.500000118.3
505N42.7Very low52.2Low123 Ų12390.2 Ų90.266%0.65854%0.543SS*.  trans-149.512.6-170.7-129.5-25.9000118.4K507 Y508N505-K507 PolarHBondContact O-N 3.45Å; N505-Y508 PolarHBondContact O-N 3.08Å
506G51.7Low55.3Low67 Ų6786.4 Ų86.469%0.69151%0.51SS*.THydrogen-bonded Turntrans-62.1-10.6-172.700000117
507K57.4Low58.2Low131 Ų13181.8 Ų81.857%0.5748%0.483SS*.THydrogen-bonded Turntrans-75.3-30.2-176.5-170.9-178.1177.4-168.50113.8N505 T600 A601N505-K507 PolarHBondContact O-N 3.45Å; K507-T600 HydrophobicContact CG-CG2 4.32Å; K507-T600 WeakPolarHBondContact O-CA 3.18Å; K507-A601 PolarHBondContact O-N 3.33Å
508Y69.5Low60.8Low106 Ų10680.5 Ų80.542%0.41647%0.471SS..THydrogen-bonded Turntrans-106.5-4.5-176.3-55.6-73000113N505 C510 C542 R599 T600N505-Y508 PolarHBondContact O-N 3.08Å; Y508-C510 PolarHBondContact O-N 3.13Å; Y508-C542 PolarHBondContact O-N 3.34Å; Y508-C542 PolarHBondContact O-SG 3.08Å; Y508-R599 WeakPolarHBondContact CD1-O 3.43Å; Y508-T600 HydrophobicContact CD1-CG2 3.94Å; Y508-T600 HydrophobicContact CE1-CG2 3.66Å
509C73.4Confident63.4Low59 Ų5976.8 Ų76.840%0.39945%0.445SS..EExtended strand (participates in β ladder)trans-78.3115175.5-171.60000111.3G540 A601C509-G540 CarbonylContact C-O 3.59Å; C509-A601 VanDerWaalsContact O-CB 3.26Å; C509-A601 WeakPolarHBondContact O-CB 3.42Å
510C80.8Confident66.2Low1 Ų170.4 Ų70.41%0.00741%0.414CS..EExtended strand (participates in β ladder)trans-68128.4175.6-142.60000110.6Y508 P539 G540 C542 V545Y508-C510 PolarHBondContact O-N 3.13Å; C510-P539 VanDerWaalsContact O-CA 3.24Å; C510-P539 WeakPolarHBondContact O-CA 3.37Å; C510-P539 VanDerWaalsContact O-CB 3.26Å; C510-P539 WeakPolarHBondContact O-CB 3.38Å; C510-G540 VanDerWaalsContact CB-O 3.29Å; C510-G540 WeakPolarHBondContact CB-O 3.27Å; C510-G540 PolarHBondContact N-O 3.1Å; C510-C542 VanDerWaalsContact CA-SG 3.58Å; C510-C542 HydrophobicContact CB-CB 4.39Å; C510-C542 PolarHBondContact N-SG 2.93Å; C510-V545 HydrophobicContact CB-CB 3.79Å; C510-V545 HydrophobicContact CB-CG1 3.88Å; C510-V545 HydrophobicContact CB-CG2 3.95Å
511P83.5Confident69Low51 Ų5164 Ų6433%0.33138%0.376SS..PPolyproline II helixtrans-63.1155.7164.228.6-35.6000110.8I513 V604 P624P511-I513 WeakPolarHBondContact O-CD1 3.39Å; P511-I513 WeakPolarHBondContact O-CG1 3.47Å; P511-I513 PolarHBondContact O-N 3.47Å; P511-V604 HydrophobicContact CG-CG1 4.27Å; P511-P624 HydrophobicContact CB-CB 4.11Å; P511-P624 HydrophobicContact CG-CB 3.73Å
512K87.6Confident71.8Confident83 Ų8361.5 Ų61.536%0.36135%0.35SS..PPolyproline II helixtrans-50120.9174-69.2-176.2173.2-1780111.1Y514 F536 I537 P624K512-Y514 HydrophobicContact CB-CE1 4.29Å; K512-Y514 HydrophobicContact CB-CE2 3.83Å; K512-Y514 WeakPolarHBondContact CB-OH 3.3Å; K512-Y514 WeakPolarHBondContact O-CD2 3.45Å; K512-Y514 VanDerWaalsContact O-CE2 3.24Å; K512-Y514 WeakPolarHBondContact O-CE2 3.37Å; K512-F536 HydrophobicContact CB-CD2 4.05Å; K512-F536 HydrophobicContact CB-CG 4.4Å; K512-F536 HydrophobicContact CD-CD2 3.83Å; K512-F536 HydrophobicContact CD-CE2 3.64Å; K512-F536 HydrophobicContact CD-CG 4.42Å; K512-F536 HydrophobicContact CD-CZ 4.08Å; K512-F536 HydrophobicContact CG-CD2 3.89Å; K512-F536 HydrophobicContact CG-CE2 4.09Å; K512-I537 WeakPolarHBondContact CA-O 3.48Å; K512-P624 WeakPolarHBondContact O-CA 3.16Å
513I91.8Very high74.4Confident0 Ų059.8 Ų59.80%032%0.323CS..EExtended strand (participates in β ladder)trans-96.6104180-53.3-55.5000109P511 F536 I537 V545 L546 V549 V604 F622 P624P511-I513 WeakPolarHBondContact O-CD1 3.39Å; P511-I513 WeakPolarHBondContact O-CG1 3.47Å; P511-I513 PolarHBondContact O-N 3.47Å; I513-F536 CarbonylContact O-C 3.59Å; I513-F536 WeakPolarHBondContact O-CA 3.36Å; I513-F536 WeakPolarHBondContact O-CB 3.27Å; I513-I537 PolarHBondContact N-O 3.09Å; I513-I537 PolarHBondContact O-N 3.06Å; I513-V545 HydrophobicContact CB-CG1 4.46Å; I513-V545 HydrophobicContact CG1-CG1 3.67Å; I513-L546 HydrophobicContact CG1-CD2 4.39Å; I513-V549 HydrophobicContact CB-CG2 4.01Å; I513-V549 HydrophobicContact CG2-CG1 4.18Å; I513-V549 HydrophobicContact CG2-CG2 3.88Å; I513-V604 HydrophobicContact CD1-CG1 3.37Å; I513-F622 HydrophobicContact CG2-CD2 3.93Å; I513-P624 HydrophobicContact CD1-CB 4.21Å
514Y90.3Very high77Confident44 Ų4452.3 Ų52.317%0.17329%0.286CS..EExtended strand (participates in β ladder)trans-81.5139.7-177-58.7-82.8000111.4K512 Q535 F536 F622 G623 M626K512-Y514 HydrophobicContact CB-CE1 4.29Å; K512-Y514 HydrophobicContact CB-CE2 3.83Å; K512-Y514 WeakPolarHBondContact CB-OH 3.3Å; K512-Y514 WeakPolarHBondContact O-CD2 3.45Å; K512-Y514 VanDerWaalsContact O-CE2 3.24Å; K512-Y514 WeakPolarHBondContact O-CE2 3.37Å; Y514-Q535 CarbonylContact C-O 3.53Å; Y514-Q535 VanDerWaalsContact CA-O 3.28Å; Y514-Q535 WeakPolarHBondContact CA-O 3.29Å; Y514-F536 HydrophobicContact CD1-CB 3.59Å; Y514-F536 HydrophobicContact CD1-CD1 4.11Å; Y514-F536 HydrophobicContact CD1-CG 4.15Å; Y514-F536 HydrophobicContact CE1-CB 3.87Å; Y514-F536 AromaticContact CE1-CD1 3.8Å; Y514-F536 HydrophobicContact CE1-CD1 3.8Å; Y514-F536 AromaticContact CE1-CG 3.96Å; Y514-F536 HydrophobicContact CE1-CG 3.96Å; Y514-F536 HydrophobicContact CG-CB 4.18Å; Y514-F622 CarbonylContact O-C 3.57Å; Y514-F622 WeakPolarHBondContact O-CA 3.4Å; Y514-F622 WeakPolarHBondContact O-CB 3.34Å; Y514-G623 PolarHBondContact N-O 3.3Å; Y514-G623 PolarHBondContact O-N 3.33Å; Y514-M626 HydrophobicContact CD1-CB 3.9Å; Y514-M626 HydrophobicContact CD1-CE 3.49Å; Y514-M626 VanDerWaalsContact CD1-CE 3.49Å; Y514-M626 HydrophobicContact CD1-CG 4.01Å; Y514-M626 HydrophobicContact CD2-CB 4.02Å; Y514-M626 HydrophobicContact CE1-CB 4.3Å; Y514-M626 HydrophobicContact CE1-CE 3.3Å; Y514-M626 HydrophobicContact CE2-CB 4.39Å; Y514-M626 HydrophobicContact CG-CB 3.76Å; Y514-M626 HydrophobicContact CG-CE 4.5Å; Y514-M626 HydrophobicContact CG-CG 4.21Å
515F90.9Very high79.7Confident3 Ų348.8 Ų48.81%0.01325%0.249CC..EExtended strand (participates in β ladder)trans-94.6107.2166.4-73.2-74.5000109.1H517 L533 P534 Q535 I537 V549 L552 L553 F622F515-H517 VanDerWaalsContact C-N 3.3Å; F515-H517 PolarHBondContact O-CD2 3.23Å; F515-H517 PolarHBondContact O-CE1 3.35Å; F515-H517 PolarHBondContact O-N 3.29Å; F515-H517 PolarHBondContact O-NE2 2.9Å; F515-L533 HydrophobicContact CD1-CD1 3.98Å; F515-L533 HydrophobicContact CD2-CB 4.38Å; F515-L533 HydrophobicContact CD2-CD1 4.42Å; F515-L533 HydrophobicContact CE1-CD1 3.77Å; F515-L533 HydrophobicContact CE2-CD1 4.2Å; F515-L533 HydrophobicContact CG-CD1 4.3Å; F515-L533 HydrophobicContact CZ-CD1 3.87Å; F515-P534 VanDerWaalsContact CD2-O 3.28Å; F515-P534 WeakPolarHBondContact CD2-O 3.34Å; F515-Q535 PolarHBondContact N-O 3.35Å; F515-I537 HydrophobicContact CE2-CG1 4.03Å; F515-V549 HydrophobicContact CE1-CG1 4.18Å; F515-V549 HydrophobicContact CE2-CG2 4.22Å; F515-V549 HydrophobicContact CZ-CB 4.16Å; F515-V549 HydrophobicContact CZ-CG1 3.82Å; F515-V549 HydrophobicContact CZ-CG2 4.06Å; F515-L552 HydrophobicContact CE2-CD1 4.16Å; F515-L552 HydrophobicContact CZ-CB 4.36Å; F515-L552 HydrophobicContact CZ-CD1 4.44Å; F515-L553 HydrophobicContact CD1-CD2 4.47Å; F515-L553 HydrophobicContact CE1-CD1 4.3Å; F515-L553 HydrophobicContact CE1-CD2 3.83Å; F515-L553 HydrophobicContact CE1-CG 3.85Å; F515-L553 HydrophobicContact CZ-CG 4.45Å; F515-F622 HydrophobicContact CD1-CB 3.68Å; F515-F622 HydrophobicContact CE1-CB 3.94Å; F515-F622 HydrophobicContact CE1-CG 4.32Å; F515-F622 HydrophobicContact CG-CB 4.48Å
516N89.1Confident81.9Confident9 Ų944.9 Ų44.95%0.04823%0.229CC..  trans-85.172.5-177.7-64.6-47000110R518 C519 N620 L621 R625 M626 V627N516-R518 PolarHBondContact O-N 2.84Å; N516-C519 VanDerWaalsContact O-CB 3.28Å; N516-C519 WeakPolarHBondContact O-CB 3.47Å; N516-C519 PolarHBondContact O-N 2.84Å; N516-N620 WeakPolarHBondContact CB-O 3.33Å; N516-N620 PolarHBondContact ND2-O 3.36Å; N516-L621 PolarHBondContact N-O 2.93Å; N516-R625 PolarHBondContact ND2-O 2.93Å; N516-M626 WeakPolarHBondContact OD1-CA 3.4Å; N516-V627 HydrophobicContact CB-CB 4.18Å; N516-V627 PolarHBondContact OD1-N 2.73Å
517H86.6Confident83.4Confident49 Ų4946.8 Ų46.823%0.22722%0.218CC..THydrogen-bonded Turntrans-54.6-19.8-169.5-36.9-81.7000115.4F515 I530 L533F515-H517 VanDerWaalsContact C-N 3.3Å; F515-H517 PolarHBondContact O-CD2 3.23Å; F515-H517 PolarHBondContact O-CE1 3.35Å; F515-H517 PolarHBondContact O-N 3.29Å; F515-H517 PolarHBondContact O-NE2 2.9Å; H517-I530 PolarHBondContact ND1-O 3.34Å; H517-L533 PolarHBondContact CE1-O 2.94Å
518R79.4Confident84.5Confident163 Ų16341.8 Ų41.862%0.61520%0.204SC*.THydrogen-bonded Turntrans-73.6-23174.7-65.3-173178.5-151.43.7113.4N516N516-R518 PolarHBondContact O-N 2.84Å
519C84.9Confident85.3Confident3 Ų341.6 Ų41.62%0.0220%0.202CC..SBendtrans-69.3163.1-179.8-70.50000113.4N516 S521 C618 L621 C631N516-C519 VanDerWaalsContact O-CB 3.28Å; N516-C519 WeakPolarHBondContact O-CB 3.47Å; N516-C519 PolarHBondContact O-N 2.84Å; C519-S521 PolarHBondContact O-N 3.34Å; C519-C618 HydrophobicContact CB-CB 3.86Å; C519-L621 HydrophobicContact CB-CB 4.48Å; C519-L621 HydrophobicContact CB-CD1 3.91Å; C519-C631 VanDerWaalsContact SG-SG 3.65Å
520F85.3Confident85.9Confident26 Ų2638.9 Ų38.911%0.11418%0.183CC..  trans-70.9115.7179.7-178.8-98.9000111.9G522 C617 C618 C635 K640 Y643F520-G522 VanDerWaalsContact C-N 3.3Å; F520-G522 VanDerWaalsContact CE1-CA 3.43Å; F520-G522 PolarHBondContact O-N 2.89Å; F520-C617 WeakPolarHBondContact O-CB 3.47Å; F520-C618 HydrophobicContact CB-CB 4.37Å; F520-C618 PolarHBondContact O-N 3.4Å; F520-C635 HydrophobicContact CB-CB 4Å; F520-K640 HydrophobicContact CE2-CB 4.2Å; F520-K640 HydrophobicContact CE2-CG 3.95Å; F520-K640 HydrophobicContact CZ-CG 4.1Å; F520-Y643 HydrophobicContact CB-CD1 4.41Å; F520-Y643 HydrophobicContact CB-CE1 4.34Å; F520-Y643 AromaticContact CD1-CD1 3.16Å; F520-Y643 HydrophobicContact CD1-CD1 3.16Å; F520-Y643 AromaticContact CD1-CE1 3.36Å; F520-Y643 HydrophobicContact CD1-CE1 3.36Å; F520-Y643 AromaticContact CD1-CG 3.88Å; F520-Y643 HydrophobicContact CD1-CG 3.88Å; F520-Y643 HydrophobicContact CD2-CD1 4.39Å; F520-Y643 HydrophobicContact CD2-CG 4.33Å; F520-Y643 AromaticContact CE1-CD1 3.3Å; F520-Y643 HydrophobicContact CE1-CD1 3.3Å; F520-Y643 AromaticContact CE1-CE1 3.86Å; F520-Y643 HydrophobicContact CE1-CE1 3.86Å; F520-Y643 HydrophobicContact CE1-CG 4.09Å; F520-Y643 AromaticContact CG-CD1 3.75Å; F520-Y643 HydrophobicContact CG-CD1 3.75Å; F520-Y643 HydrophobicContact CG-CD2 4.49Å; F520-Y643 HydrophobicContact CG-CE1 4.05Å; F520-Y643 AromaticContact CG-CG 3.99Å; F520-Y643 HydrophobicContact CG-CG 3.99Å; F520-Y643 HydrophobicContact CZ-CD1 4.01Å; F520-Y643 HydrophobicContact CZ-CG 4.43Å
521S84.5Confident85.8Confident5 Ų541.5 Ų41.54%0.03520%0.202CC..  trans-78.20.4-173-33.40000115.8C519 L525 K527C519-S521 PolarHBondContact O-N 3.34Å; S521-L525 WeakPolarHBondContact O-CB 3.46Å; S521-K527 WeakPolarHBondContact OG-CG 3.26Å
522G85Confident85.8Confident6 Ų644 Ų446%0.06221%0.209CC..THydrogen-bonded Turntrans79.8-170.3-178.700000114.8F520 E616F520-G522 VanDerWaalsContact C-N 3.3Å; F520-G522 VanDerWaalsContact CE1-CA 3.43Å; F520-G522 PolarHBondContact O-N 2.89Å; G522-E616 WeakPolarHBondContact CA-O 3.15Å
523P82.8Confident85.6Confident49 Ų4940.9 Ų40.932%0.31820%0.197SC..THydrogen-bonded Turntrans-92.2-22.317734.4-31.4000113.7E616P523-E616 VanDerWaalsContact CD-CB 3.49Å; P523-E616 HydrophobicContact CG-CB 3.86Å
524Y86.8Confident85.3Confident45 Ų4543.7 Ų43.718%0.17622%0.215CC..THydrogen-bonded Turntrans-88.6-36.2-175.5-54-77.1000113.6Y558 R562 E566 L615 E616Y524-Y558 WeakPolarHBondContact O-CD2 3.18Å; Y524-Y558 PolarHBondContact O-N 2.99Å; Y524-R562 HydrophobicContact CD1-CB 4.49Å; Y524-E566 HydrophobicContact CD1-CG 4.47Å; Y524-E566 HydrophobicContact CE1-CG 4.16Å; Y524-E566 HydrophobicContact CE2-CG 4.46Å; Y524-L615 WeakPolarHBondContact CD2-O 3.39Å; Y524-E616 HydrophobicContact CE2-CB 4.19Å; Y524-E616 HydrophobicContact CE2-CG 4.1Å; Y524-E616 VanDerWaalsContact CE2-OE1 3.3Å; Y524-E616 WeakPolarHBondContact CE2-OE1 3.45Å; Y524-E616 PolarHBondContact OH-OE1 2.91Å
525L90.1Very high85Confident1 Ų146.7 Ų46.71%0.00523%0.23CC..BIsolated β-bridgetrans-87.7139.3-177.7-52.3170000111.4S521 K527 I530 L553 Y558 V563 L615 L621S521-L525 WeakPolarHBondContact O-CB 3.46Å; L525-K527 PolarHBondContact O-N 3.22Å; L525-I530 HydrophobicContact CB-CD1 4.05Å; L525-I530 HydrophobicContact CB-CG1 3.82Å; L525-I530 HydrophobicContact CD1-CD1 4.04Å; L525-I530 HydrophobicContact CD1-CG1 4.48Å; L525-I530 HydrophobicContact CD2-CD1 4.36Å; L525-I530 HydrophobicContact CG-CD1 4.39Å; L525-L553 HydrophobicContact CD1-CD2 3.91Å; L525-L553 HydrophobicContact CD2-CB 4.4Å; L525-L553 HydrophobicContact CD2-CD2 4.46Å; L525-L553 WeakPolarHBondContact CD2-O 3.19Å; L525-Y558 WeakPolarHBondContact O-CE2 3.5Å; L525-V563 HydrophobicContact CD2-CG1 4.47Å; L525-V563 HydrophobicContact CD2-CG2 3.96Å; L525-L615 HydrophobicContact CD1-CD1 4.17Å; L525-L615 HydrophobicContact CD2-CD1 4.28Å; L525-L615 HydrophobicContact CG-CD1 4.44Å; L525-L621 HydrophobicContact CD1-CD2 3.63Å
526N89.6Confident84.9Confident41 Ų4149.8 Ų49.822%0.21924%0.244CC..  trans-81.9115175.1-177.4-0.1000109.7G528 R529 I530 S556 Y558N526-G528 PolarHBondContact O-N 3.1Å; N526-G528 VanDerWaalsContact O-N 3.16Å; N526-G528 PolarHBondContact OD1-N 2.99Å; N526-R529 HydrophobicContact CB-CB 4.29Å; N526-R529 HydrophobicContact CB-CG 4.26Å; N526-R529 PolarHBondContact O-N 3.34Å; N526-I530 WeakPolarHBondContact O-CG1 3.29Å; N526-I530 PolarHBondContact O-N 2.79Å; N526-S556 VanDerWaalsContact CB-O 3.25Å; N526-S556 WeakPolarHBondContact CB-O 3.45Å; N526-S556 PolarHBondContact N-O 3.06Å; N526-Y558 HydrophobicContact CB-CD1 3.84Å; N526-Y558 HydrophobicContact CB-CD2 4.4Å; N526-Y558 HydrophobicContact CB-CE1 3.64Å; N526-Y558 HydrophobicContact CB-CE2 4.23Å; N526-Y558 HydrophobicContact CB-CG 4.21Å; N526-Y558 VanDerWaalsContact CG-CE1 3.48Å
527K82.6Confident84.7Confident108 Ų10850.9 Ų50.947%0.4725%0.25SC..Hα-helixtrans-56.3-34.5-177.6-178166.2-178.4173.60112.9S521 L525 I530 S531S521-K527 WeakPolarHBondContact OG-CG 3.26Å; L525-K527 PolarHBondContact O-N 3.22Å; K527-I530 PolarHBondContact O-N 3.14Å; K527-S531 PolarHBondContact O-N 2.8Å; K527-S531 PolarHBondContact O-OG 3.41Å
528G79.9Confident84.5Confident26 Ų2649.6 Ų49.627%0.26825%0.249SC..Hα-helixtrans-59.4-58.1175.500000111.5N526 I530 S531 E532N526-G528 PolarHBondContact O-N 3.1Å; N526-G528 VanDerWaalsContact O-N 3.16Å; N526-G528 PolarHBondContact OD1-N 2.99Å; G528-I530 VanDerWaalsContact C-N 3.31Å; G528-I530 PolarHBondContact O-N 3.29Å; G528-S531 CarbonylContact O-C 3.4Å; G528-S531 WeakPolarHBondContact O-CA 3.41Å; G528-S531 PolarHBondContact O-N 3.1Å; G528-S531 PolarHBondContact O-OG 2.87Å; G528-E532 WeakPolarHBondContact O-CG 3.3Å; G528-E532 PolarHBondContact O-N 2.97Å
529R86.8Confident84.5Confident102 Ų10245.8 Ų45.839%0.38525%0.246SC..Hα-helixtrans-58.1-39.6176.8-63.4-178.9-178.5-176.3-5.4113.4N526 S531 E532 L533 N555 A557N526-R529 HydrophobicContact CB-CB 4.29Å; N526-R529 HydrophobicContact CB-CG 4.26Å; N526-R529 PolarHBondContact O-N 3.34Å; R529-S531 PolarHBondContact O-N 3.2Å; R529-E532 WeakPolarHBondContact CA-OE2 3.42Å; R529-E532 PolarHBondContact N-OE1 3.3Å; R529-E532 WeakPolarHBondContact O-CA 3.41Å; R529-E532 WeakPolarHBondContact O-CB 3.5Å; R529-E532 PolarHBondContact O-N 3.25Å; R529-L533 WeakPolarHBondContact O-CG 3.27Å; R529-L533 PolarHBondContact O-N 2.81Å; R529-L533 VanDerWaalsContact O-N 3.13Å; R529-N555 PolarHBondContact NH1-O 2.83Å; R529-N555 VanDerWaalsContact NH1-O 3.08Å; R529-A557 PolarHBondContact NH1-O 2.7Å
530I85.1Confident84.1Confident1 Ų147 Ų471%0.00526%0.258CS..Hα-helixtrans-63.9-26.2174.5-65.3-68000112.3H517 L525 N526 K527 G528 L533 L553 S556 L621H517-I530 PolarHBondContact ND1-O 3.34Å; L525-I530 HydrophobicContact CB-CD1 4.05Å; L525-I530 HydrophobicContact CB-CG1 3.82Å; L525-I530 HydrophobicContact CD1-CD1 4.04Å; L525-I530 HydrophobicContact CD1-CG1 4.48Å; L525-I530 HydrophobicContact CD2-CD1 4.36Å; L525-I530 HydrophobicContact CG-CD1 4.39Å; N526-I530 WeakPolarHBondContact O-CG1 3.29Å; N526-I530 PolarHBondContact O-N 2.79Å; K527-I530 PolarHBondContact O-N 3.14Å; G528-I530 VanDerWaalsContact C-N 3.31Å; G528-I530 PolarHBondContact O-N 3.29Å; I530-L533 HydrophobicContact CD1-CD1 4.06Å; I530-L553 HydrophobicContact CD1-CD2 3.64Å; I530-S556 VanDerWaalsContact CD1-CB 3.48Å; I530-L621 HydrophobicContact CG2-CD1 4.19Å
531S79.5Confident84.2Confident57 Ų5749.7 Ų49.740%0.39927%0.274SS..Hα-helixtrans-89.9-3.3168.5520000114.8K527 G528 R529K527-S531 PolarHBondContact O-N 2.8Å; K527-S531 PolarHBondContact O-OG 3.41Å; G528-S531 CarbonylContact O-C 3.4Å; G528-S531 WeakPolarHBondContact O-CA 3.41Å; G528-S531 PolarHBondContact O-N 3.1Å; G528-S531 PolarHBondContact O-OG 2.87Å; R529-S531 PolarHBondContact O-N 3.2Å
532E83.6Confident83.9Confident102 Ų10249.4 Ų49.448%0.47727%0.272SS..Hα-helixtrans-92.8-14.7171.2-65.5147.9-144.900111.7G528 R529G528-E532 WeakPolarHBondContact O-CG 3.3Å; G528-E532 PolarHBondContact O-N 2.97Å; R529-E532 WeakPolarHBondContact CA-OE2 3.42Å; R529-E532 PolarHBondContact N-OE1 3.3Å; R529-E532 WeakPolarHBondContact O-CA 3.41Å; R529-E532 WeakPolarHBondContact O-CB 3.5Å; R529-E532 PolarHBondContact O-N 3.25Å
533L82.8Confident83.9Confident19 Ų1950 Ų5010%0.09928%0.275CS..SBendtrans-66.3152.9174.3-66.7-171.1000112.6F515 H517 R529 I530 L552 S556F515-L533 HydrophobicContact CD1-CD1 3.98Å; F515-L533 HydrophobicContact CD2-CB 4.38Å; F515-L533 HydrophobicContact CD2-CD1 4.42Å; F515-L533 HydrophobicContact CE1-CD1 3.77Å; F515-L533 HydrophobicContact CE2-CD1 4.2Å; F515-L533 HydrophobicContact CG-CD1 4.3Å; F515-L533 HydrophobicContact CZ-CD1 3.87Å; H517-L533 PolarHBondContact CE1-O 2.94Å; R529-L533 WeakPolarHBondContact O-CG 3.27Å; R529-L533 PolarHBondContact O-N 2.81Å; R529-L533 VanDerWaalsContact O-N 3.13Å; I530-L533 HydrophobicContact CD1-CD1 4.06Å; L533-L552 HydrophobicContact CD1-CB 4.02Å; L533-L552 HydrophobicContact CD2-CB 3.77Å; L533-L552 HydrophobicContact CD2-CD1 4.45Å; L533-L552 HydrophobicContact CD2-CD2 3.95Å; L533-L552 HydrophobicContact CD2-CG 4.27Å; L533-S556 WeakPolarHBondContact CD2-OG 3.47Å
534P86.1Confident84Confident59 Ų5952.9 Ų52.938%0.38329%0.287SS..  trans-60.5155.3172.227.1-36000111.9F515 F536 I537 L552F515-P534 VanDerWaalsContact CD2-O 3.28Å; F515-P534 WeakPolarHBondContact CD2-O 3.34Å; P534-F536 VanDerWaalsContact C-N 3.28Å; P534-F536 PolarHBondContact O-N 2.98Å; P534-I537 HydrophobicContact CG-CD1 3.68Å; P534-L552 HydrophobicContact CG-CD1 4.25Å
535Q83.2Confident84Confident107 Ų10751.1 Ų51.150%0.528%0.281SS..SBendtrans-64.3-31.3-176.6-165.7-173.339.500113.1Y514 F515Y514-Q535 CarbonylContact C-O 3.53Å; Y514-Q535 VanDerWaalsContact CA-O 3.28Å; Y514-Q535 WeakPolarHBondContact CA-O 3.29Å; F515-Q535 PolarHBondContact N-O 3.35Å
536F88.9Confident83.9Confident68 Ų6851.1 Ų51.130%0.29828%0.28SS..EExtended strand (participates in β ladder)trans-154.4163.9172.363.9-90.2000112.7K512 I513 Y514 P534 G538K512-F536 HydrophobicContact CB-CD2 4.05Å; K512-F536 HydrophobicContact CB-CG 4.4Å; K512-F536 HydrophobicContact CD-CD2 3.83Å; K512-F536 HydrophobicContact CD-CE2 3.64Å; K512-F536 HydrophobicContact CD-CG 4.42Å; K512-F536 HydrophobicContact CD-CZ 4.08Å; K512-F536 HydrophobicContact CG-CD2 3.89Å; K512-F536 HydrophobicContact CG-CE2 4.09Å; I513-F536 CarbonylContact O-C 3.59Å; I513-F536 WeakPolarHBondContact O-CA 3.36Å; I513-F536 WeakPolarHBondContact O-CB 3.27Å; Y514-F536 HydrophobicContact CD1-CB 3.59Å; Y514-F536 HydrophobicContact CD1-CD1 4.11Å; Y514-F536 HydrophobicContact CD1-CG 4.15Å; Y514-F536 HydrophobicContact CE1-CB 3.87Å; Y514-F536 AromaticContact CE1-CD1 3.8Å; Y514-F536 HydrophobicContact CE1-CD1 3.8Å; Y514-F536 AromaticContact CE1-CG 3.96Å; Y514-F536 HydrophobicContact CE1-CG 3.96Å; Y514-F536 HydrophobicContact CG-CB 4.18Å; P534-F536 VanDerWaalsContact C-N 3.28Å; P534-F536 PolarHBondContact O-N 2.98Å; F536-G538 WeakPolarHBondContact CD2-O 3.4Å; F536-G538 WeakPolarHBondContact CE2-O 3.4Å
537I84.5Confident83.9Confident32 Ų3252.9 Ų52.916%0.16429%0.286CS..EExtended strand (participates in β ladder)trans-119.8147.4167-54.5-65.6000108.7K512 I513 F515 P534 V545 E548 V549 L552K512-I537 WeakPolarHBondContact CA-O 3.48Å; I513-I537 PolarHBondContact N-O 3.09Å; I513-I537 PolarHBondContact O-N 3.06Å; F515-I537 HydrophobicContact CE2-CG1 4.03Å; P534-I537 HydrophobicContact CG-CD1 3.68Å; I537-V545 HydrophobicContact CB-CG1 4.48Å; I537-V545 HydrophobicContact CG2-CG1 4.11Å; I537-E548 HydrophobicContact CD1-CG 4.24Å; I537-E548 HydrophobicContact CG1-CG 4.45Å; I537-E548 HydrophobicContact CG2-CB 4.36Å; I537-E548 HydrophobicContact CG2-CG 4.15Å; I537-V549 HydrophobicContact CB-CG2 3.79Å; I537-V549 HydrophobicContact CG1-CG2 3.8Å; I537-V549 HydrophobicContact CG2-CG2 4.37Å; I537-L552 HydrophobicContact CD1-CD1 3.78Å; I537-L552 HydrophobicContact CG1-CD1 4.05Å
538G83.6Confident84.2Confident21 Ų2151.7 Ų51.722%0.21628%0.282CS..  trans88.9-175-178.400000114.6F536F536-G538 WeakPolarHBondContact CD2-O 3.4Å; F536-G538 WeakPolarHBondContact CE2-O 3.4Å
539P79.9Confident84.7Confident84 Ų8450.4 Ų50.455%0.54527%0.27SS..SBendcis-69.7168.33.834.1-37.7000112.5C510C510-P539 VanDerWaalsContact O-CA 3.24Å; C510-P539 WeakPolarHBondContact O-CA 3.37Å; C510-P539 VanDerWaalsContact O-CB 3.26Å; C510-P539 WeakPolarHBondContact O-CB 3.38Å
540G76.7Confident85Confident28 Ų2845.6 Ų45.629%0.28925%0.251SS..EExtended strand (participates in β ladder)trans161.4-169.3-175.600000110.9C509 C510 C542C509-G540 CarbonylContact C-O 3.59Å; C510-G540 VanDerWaalsContact CB-O 3.29Å; C510-G540 WeakPolarHBondContact CB-O 3.27Å; C510-G540 PolarHBondContact N-O 3.1Å; G540-C542 PolarHBondContact O-N 2.88Å
541N85.9Confident85.3Confident82 Ų8247.1 Ų47.144%0.43926%0.261SS..EExtended strand (participates in β ladder)trans-59.4133177.5-176.2-42.2000111.6V543 L544 V545N541-V543 VanDerWaalsContact C-N 3.26Å; N541-V543 PolarHBondContact O-N 2.84Å; N541-V543 PolarHBondContact OD1-N 2.85Å; N541-L544 HydrophobicContact CB-CB 4.36Å; N541-L544 HydrophobicContact CB-CD1 4.1Å; N541-L544 HydrophobicContact CB-CG 4.09Å; N541-L544 PolarHBondContact O-N 3.29Å; N541-V545 WeakPolarHBondContact O-CB 3.31Å; N541-V545 WeakPolarHBondContact O-CG2 3.39Å; N541-V545 PolarHBondContact O-N 3.21Å
542C79.4Confident85.9Confident0 Ų045.9 Ų45.90%025%0.249CC..Hα-helixtrans-52.3-38.4178.9-75.90000114.4Y508 C510 G540 L546 R599Y508-C542 PolarHBondContact O-N 3.34Å; Y508-C542 PolarHBondContact O-SG 3.08Å; C510-C542 VanDerWaalsContact CA-SG 3.58Å; C510-C542 HydrophobicContact CB-CB 4.39Å; C510-C542 PolarHBondContact N-SG 2.93Å; G540-C542 PolarHBondContact O-N 2.88Å; C542-L546 VanDerWaalsContact O-CB 3.29Å; C542-L546 WeakPolarHBondContact O-CB 3.38Å; C542-L546 VanDerWaalsContact O-CG 3.28Å; C542-L546 WeakPolarHBondContact O-CG 3.34Å; C542-L546 PolarHBondContact O-N 3.49Å; C542-R599 VanDerWaalsContact CB-O 3.29Å; C542-R599 WeakPolarHBondContact CB-O 3.48Å
543V85.1Confident86.2Confident18 Ų1841 Ų4111%0.10923%0.227CC..Hα-helixtrans-67.1-54.3178.9-177.90000110N541 V545 L546 K547 E580 R599N541-V543 VanDerWaalsContact C-N 3.26Å; N541-V543 PolarHBondContact O-N 2.84Å; N541-V543 PolarHBondContact OD1-N 2.85Å; V543-V545 PolarHBondContact O-N 2.98Å; V543-L546 PolarHBondContact O-N 2.78Å; V543-K547 WeakPolarHBondContact O-CB 3.36Å; V543-K547 PolarHBondContact O-N 2.81Å; V543-E580 HydrophobicContact CG1-CG 4.03Å; V543-E580 VanDerWaalsContact CG1-OE1 3.3Å; V543-E580 WeakPolarHBondContact CG1-OE1 3.15Å; V543-R599 HydrophobicContact CG2-CB 4.49Å; V543-R599 HydrophobicContact CG2-CG 3.72Å
544L84.1Confident86.6Confident110 Ų11040.1 Ų40.158%0.57622%0.222SC*.Hα-helixtrans-61.4-47.9-176.7-57.5-178.8000111.9N541 L546 K547 E548N541-L544 HydrophobicContact CB-CB 4.36Å; N541-L544 HydrophobicContact CB-CD1 4.1Å; N541-L544 HydrophobicContact CB-CG 4.09Å; N541-L544 PolarHBondContact O-N 3.29Å; L544-L546 VanDerWaalsContact C-N 3.34Å; L544-L546 PolarHBondContact O-N 2.98Å; L544-K547 PolarHBondContact O-N 2.78Å; L544-E548 PolarHBondContact O-N 3.32Å
545V86.1Confident86.7Confident8 Ų840.8 Ų40.85%0.04822%0.223CC..Hα-helixtrans-61-41.1179.4169.60000111.5C510 I513 I537 N541 V543 V549C510-V545 HydrophobicContact CB-CB 3.79Å; C510-V545 HydrophobicContact CB-CG1 3.88Å; C510-V545 HydrophobicContact CB-CG2 3.95Å; I513-V545 HydrophobicContact CB-CG1 4.46Å; I513-V545 HydrophobicContact CG1-CG1 3.67Å; I537-V545 HydrophobicContact CB-CG1 4.48Å; I537-V545 HydrophobicContact CG2-CG1 4.11Å; N541-V545 WeakPolarHBondContact O-CB 3.31Å; N541-V545 WeakPolarHBondContact O-CG2 3.39Å; N541-V545 PolarHBondContact O-N 3.21Å; V543-V545 PolarHBondContact O-N 2.98Å; V545-V549 WeakPolarHBondContact O-CB 3.42Å; V545-V549 WeakPolarHBondContact O-CG2 3.47Å; V545-V549 PolarHBondContact O-N 3.4Å; V545-V549 VanDerWaalsContact O-N 3.11Å
546L88.3Confident87Confident0 Ų036 Ų360%020%0.2CC..Hα-helixtrans-77.6-35.4178.2-68.7177000112.9I513 C542 V543 L544 E548 V549 L550 I597 V598 V604 F607I513-L546 HydrophobicContact CG1-CD2 4.39Å; C542-L546 VanDerWaalsContact O-CB 3.29Å; C542-L546 WeakPolarHBondContact O-CB 3.38Å; C542-L546 VanDerWaalsContact O-CG 3.28Å; C542-L546 WeakPolarHBondContact O-CG 3.34Å; C542-L546 PolarHBondContact O-N 3.49Å; V543-L546 PolarHBondContact O-N 2.78Å; L544-L546 VanDerWaalsContact C-N 3.34Å; L544-L546 PolarHBondContact O-N 2.98Å; L546-E548 VanDerWaalsContact C-N 3.32Å; L546-E548 PolarHBondContact O-N 3.47Å; L546-V549 PolarHBondContact O-N 3.26Å; L546-L550 WeakPolarHBondContact O-CB 3.47Å; L546-L550 WeakPolarHBondContact O-CG 3.28Å; L546-L550 PolarHBondContact O-N 3.46Å; L546-I597 HydrophobicContact CB-CD1 4.36Å; L546-I597 HydrophobicContact CB-CG2 3.68Å; L546-I597 HydrophobicContact CD1-CG2 3.89Å; L546-I597 HydrophobicContact CG-CG2 4.44Å; L546-V598 HydrophobicContact CD1-CG2 3.6Å; L546-V604 HydrophobicContact CD1-CG2 4.31Å; L546-V604 HydrophobicContact CD2-CG1 4.46Å; L546-F607 HydrophobicContact CB-CE1 4.46Å; L546-F607 HydrophobicContact CD1-CD1 3.71Å; L546-F607 HydrophobicContact CD1-CE1 4.08Å; L546-F607 HydrophobicContact CD1-CG 4.46Å; L546-F607 HydrophobicContact CD2-CD1 3.93Å; L546-F607 HydrophobicContact CD2-CE1 4.14Å; L546-F607 HydrophobicContact CG-CD1 4.38Å; L546-F607 HydrophobicContact CG-CE1 4.47Å
547K89.2Confident87Confident78 Ų7832.7 Ų32.734%0.33919%0.186SC..Hα-helixtrans-59.7-43.3175.2-173.6169.7-176162.80110.6V543 L544 T551 E580 L582 I597V543-K547 WeakPolarHBondContact O-CB 3.36Å; V543-K547 PolarHBondContact O-N 2.81Å; L544-K547 PolarHBondContact O-N 2.78Å; K547-T551 WeakPolarHBondContact O-CB 3.32Å; K547-T551 PolarHBondContact O-N 2.91Å; K547-T551 PolarHBondContact O-OG1 3.03Å; K547-E580 WeakPolarHBondContact CD-OE2 3.28Å; K547-E580 VanDerWaalsContact CE-OE2 3.23Å; K547-E580 WeakPolarHBondContact CE-OE2 3.21Å; K547-E580 IonicContact NZ-OE2 3.79Å; K547-E580 PolarHBondContact NZ-OE2 3.31Å; K547-L582 HydrophobicContact CG-CD2 3.89Å; K547-I597 HydrophobicContact CB-CD1 4.08Å
548E89.6Confident87.2Confident83 Ų8336.6 Ų36.639%0.38820%0.2SC..Hα-helixtrans-67.5-50.1173.9178.654.2-16200112.1I537 L544 L546 L550 T551 L552I537-E548 HydrophobicContact CD1-CG 4.24Å; I537-E548 HydrophobicContact CG1-CG 4.45Å; I537-E548 HydrophobicContact CG2-CB 4.36Å; I537-E548 HydrophobicContact CG2-CG 4.15Å; L544-E548 PolarHBondContact O-N 3.32Å; L546-E548 VanDerWaalsContact C-N 3.32Å; L546-E548 PolarHBondContact O-N 3.47Å; E548-L550 VanDerWaalsContact C-N 3.27Å; E548-L550 PolarHBondContact O-N 2.87Å; E548-T551 PolarHBondContact O-N 2.84Å; E548-L552 HydrophobicContact CG-CD1 4.15Å; E548-L552 HydrophobicContact CG-CG 4.41Å; E548-L552 WeakPolarHBondContact O-CG 3.32Å; E548-L552 PolarHBondContact O-N 2.77Å; E548-L552 WeakPolarHBondContact OE1-CD1 3.36Å; E548-L552 WeakPolarHBondContact OE1-CD2 3.34Å; E548-L552 WeakPolarHBondContact OE1-CG 3.32Å
549V91.3Very high87.4Confident0 Ų040.6 Ų40.60%021%0.211CC..Hα-helixtrans-53.3-43176.9161.30000112.3I513 F515 I537 V545 L546 L553 F622I513-V549 HydrophobicContact CB-CG2 4.01Å; I513-V549 HydrophobicContact CG2-CG1 4.18Å; I513-V549 HydrophobicContact CG2-CG2 3.88Å; F515-V549 HydrophobicContact CE1-CG1 4.18Å; F515-V549 HydrophobicContact CE2-CG2 4.22Å; F515-V549 HydrophobicContact CZ-CB 4.16Å; F515-V549 HydrophobicContact CZ-CG1 3.82Å; F515-V549 HydrophobicContact CZ-CG2 4.06Å; I537-V549 HydrophobicContact CB-CG2 3.79Å; I537-V549 HydrophobicContact CG1-CG2 3.8Å; I537-V549 HydrophobicContact CG2-CG2 4.37Å; V545-V549 WeakPolarHBondContact O-CB 3.42Å; V545-V549 WeakPolarHBondContact O-CG2 3.47Å; V545-V549 PolarHBondContact O-N 3.4Å; V545-V549 VanDerWaalsContact O-N 3.11Å; L546-V549 PolarHBondContact O-N 3.26Å; V549-L553 HydrophobicContact CG1-CD1 4.1Å; V549-L553 WeakPolarHBondContact O-CD1 3.43Å; V549-L553 VanDerWaalsContact O-CG 3.23Å; V549-L553 WeakPolarHBondContact O-CG 3.36Å; V549-L553 PolarHBondContact O-N 2.84Å; V549-L553 VanDerWaalsContact O-N 3.12Å; V549-F622 HydrophobicContact CG1-CD2 3.54Å; V549-F622 HydrophobicContact CG1-CE2 3.6Å; V549-F622 HydrophobicContact CG1-CG 4.38Å; V549-F622 HydrophobicContact CG1-CZ 4.48Å
550L92.6Very high87.8Confident0 Ų036.8 Ų36.80%019%0.186CC..Hα-helixtrans-70.9-39.3177.7-65.1171.1000112.2L546 E548 L553 I554 L567 L582 V595 I597 F607 T611L546-L550 WeakPolarHBondContact O-CB 3.47Å; L546-L550 WeakPolarHBondContact O-CG 3.28Å; L546-L550 PolarHBondContact O-N 3.46Å; E548-L550 VanDerWaalsContact C-N 3.27Å; E548-L550 PolarHBondContact O-N 2.87Å; L550-L553 HydrophobicContact CD2-CD1 4.38Å; L550-L553 WeakPolarHBondContact O-CB 3.33Å; L550-L553 PolarHBondContact O-N 2.83Å; L550-I554 WeakPolarHBondContact O-CB 3.49Å; L550-I554 WeakPolarHBondContact O-CD1 3.11Å; L550-I554 WeakPolarHBondContact O-CG1 3.22Å; L550-I554 PolarHBondContact O-N 3.16Å; L550-L567 HydrophobicContact CD2-CD1 4.11Å; L550-L582 HydrophobicContact CB-CD1 3.56Å; L550-L582 HydrophobicContact CD1-CD1 3.93Å; L550-L582 HydrophobicContact CG-CD1 4.39Å; L550-V595 HydrophobicContact CD1-CG1 4.13Å; L550-I597 HydrophobicContact CD1-CD1 3.52Å; L550-I597 HydrophobicContact CD1-CG1 3.78Å; L550-F607 HydrophobicContact CD1-CE1 4.15Å; L550-F607 HydrophobicContact CD1-CZ 3.9Å; L550-F607 HydrophobicContact CD2-CE1 4.3Å; L550-F607 HydrophobicContact CD2-CZ 4.3Å; L550-F607 HydrophobicContact CG-CE1 4.5Å; L550-T611 HydrophobicContact CD2-CG2 3.72Å
551T90.8Very high88.2Confident34 Ų3436.5 Ų36.521%0.20918%0.18CC..Hα-helixtrans-62-44.4177-61.90000111.2K547 E548 L553 I554 N555K547-T551 WeakPolarHBondContact O-CB 3.32Å; K547-T551 PolarHBondContact O-N 2.91Å; K547-T551 PolarHBondContact O-OG1 3.03Å; E548-T551 PolarHBondContact O-N 2.84Å; T551-L553 PolarHBondContact O-N 3.22Å; T551-I554 PolarHBondContact O-N 3.41Å; T551-N555 WeakPolarHBondContact O-CB 3.23Å; T551-N555 PolarHBondContact O-N 2.77Å; T551-N555 PolarHBondContact O-ND2 3.45Å
552L91.6Very high88.2Confident30 Ų3039.4 Ų39.416%0.15719%0.185CC..Hα-helixtrans-60.3-42.6172.8-69.1177.6000112.7F515 L533 P534 I537 E548 S556F515-L552 HydrophobicContact CE2-CD1 4.16Å; F515-L552 HydrophobicContact CZ-CB 4.36Å; F515-L552 HydrophobicContact CZ-CD1 4.44Å; L533-L552 HydrophobicContact CD1-CB 4.02Å; L533-L552 HydrophobicContact CD2-CB 3.77Å; L533-L552 HydrophobicContact CD2-CD1 4.45Å; L533-L552 HydrophobicContact CD2-CD2 3.95Å; L533-L552 HydrophobicContact CD2-CG 4.27Å; P534-L552 HydrophobicContact CG-CD1 4.25Å; I537-L552 HydrophobicContact CD1-CD1 3.78Å; I537-L552 HydrophobicContact CG1-CD1 4.05Å; E548-L552 HydrophobicContact CG-CD1 4.15Å; E548-L552 HydrophobicContact CG-CG 4.41Å; E548-L552 WeakPolarHBondContact O-CG 3.32Å; E548-L552 PolarHBondContact O-N 2.77Å; E548-L552 WeakPolarHBondContact OE1-CD1 3.36Å; E548-L552 WeakPolarHBondContact OE1-CD2 3.34Å; E548-L552 WeakPolarHBondContact OE1-CG 3.32Å; L552-S556 WeakPolarHBondContact O-CB 3.39Å; L552-S556 PolarHBondContact O-N 3.36Å; L552-S556 PolarHBondContact O-OG 3.01Å
553L89.6Confident88.6Confident0 Ų039.4 Ų39.40%019%0.185CC..Hα-helixtrans-63.7-43.3174.5-73.2165.8000112.3F515 L525 I530 V549 L550 T551 S556 A557 F622F515-L553 HydrophobicContact CD1-CD2 4.47Å; F515-L553 HydrophobicContact CE1-CD1 4.3Å; F515-L553 HydrophobicContact CE1-CD2 3.83Å; F515-L553 HydrophobicContact CE1-CG 3.85Å; F515-L553 HydrophobicContact CZ-CG 4.45Å; L525-L553 HydrophobicContact CD1-CD2 3.91Å; L525-L553 HydrophobicContact CD2-CB 4.4Å; L525-L553 HydrophobicContact CD2-CD2 4.46Å; L525-L553 WeakPolarHBondContact CD2-O 3.19Å; I530-L553 HydrophobicContact CD1-CD2 3.64Å; V549-L553 HydrophobicContact CG1-CD1 4.1Å; V549-L553 WeakPolarHBondContact O-CD1 3.43Å; V549-L553 VanDerWaalsContact O-CG 3.23Å; V549-L553 WeakPolarHBondContact O-CG 3.36Å; V549-L553 PolarHBondContact O-N 2.84Å; V549-L553 VanDerWaalsContact O-N 3.12Å; L550-L553 HydrophobicContact CD2-CD1 4.38Å; L550-L553 WeakPolarHBondContact O-CB 3.33Å; L550-L553 PolarHBondContact O-N 2.83Å; T551-L553 PolarHBondContact O-N 3.22Å; L553-S556 CarbonylContact O-C 3.56Å; L553-S556 PolarHBondContact O-N 2.92Å; L553-A557 PolarHBondContact O-N 3.06Å; L553-F622 HydrophobicContact CD1-CD1 3.7Å; L553-F622 HydrophobicContact CD1-CD2 4.4Å; L553-F622 HydrophobicContact CD1-CE1 3.38Å; L553-F622 HydrophobicContact CD1-CE2 4.12Å; L553-F622 HydrophobicContact CD1-CG 4.22Å; L553-F622 HydrophobicContact CD1-CZ 3.61Å; L553-F622 HydrophobicContact CD2-CD1 4.31Å
554I91.1Very high88.7Confident0 Ų038.8 Ų38.80%018%0.18CC..Hα-helixtrans-64-46.4179.6-74159.8000110.6L550 T551 S556 A557 P560 V563 L564 L582 A584L550-I554 WeakPolarHBondContact O-CB 3.49Å; L550-I554 WeakPolarHBondContact O-CD1 3.11Å; L550-I554 WeakPolarHBondContact O-CG1 3.22Å; L550-I554 PolarHBondContact O-N 3.16Å; T551-I554 PolarHBondContact O-N 3.41Å; I554-S556 VanDerWaalsContact C-N 3.31Å; I554-S556 PolarHBondContact O-N 2.91Å; I554-A557 WeakPolarHBondContact O-CB 3.46Å; I554-A557 PolarHBondContact O-N 3.23Å; I554-A557 VanDerWaalsContact O-N 3.11Å; I554-P560 HydrophobicContact CG2-CB 3.8Å; I554-P560 WeakPolarHBondContact O-CA 3.41Å; I554-P560 WeakPolarHBondContact O-CB 3.49Å; I554-P560 WeakPolarHBondContact O-CG 3.22Å; I554-V563 HydrophobicContact CB-CG1 4.46Å; I554-V563 HydrophobicContact CG1-CB 4.35Å; I554-V563 HydrophobicContact CG1-CG1 3.65Å; I554-L564 HydrophobicContact CD1-CD2 3.71Å; I554-L564 HydrophobicContact CD1-CG 4.03Å; I554-L564 HydrophobicContact CG1-CD2 4.49Å; I554-L564 HydrophobicContact CG1-CG 4.28Å; I554-L564 HydrophobicContact CG2-CD1 4.05Å; I554-L564 HydrophobicContact CG2-CD2 4.49Å; I554-L564 HydrophobicContact CG2-CG 3.85Å; I554-L582 HydrophobicContact CD1-CB 3.97Å; I554-L582 HydrophobicContact CD1-CD1 3.55Å; I554-L582 HydrophobicContact CD1-CG 4.41Å; I554-A584 HydrophobicContact CG2-CB 3.57Å
555N88.6Confident88.8Confident74 Ų7441.6 Ų41.640%0.39618%0.184SC..Hα-helixtrans-68.5-31177-70-29000112.2R529 T551 A557R529-N555 PolarHBondContact NH1-O 2.83Å; R529-N555 VanDerWaalsContact NH1-O 3.08Å; T551-N555 WeakPolarHBondContact O-CB 3.23Å; T551-N555 PolarHBondContact O-N 2.77Å; T551-N555 PolarHBondContact O-ND2 3.45Å; N555-A557 PolarHBondContact O-N 3.44Å
556S89.3Confident88.8Confident5 Ų544.9 Ų44.94%0.03520%0.198CC..THydrogen-bonded Turntrans-69.9-5.6171.1-64.90000114.6N526 I530 L533 L552 L553 I554N526-S556 VanDerWaalsContact CB-O 3.25Å; N526-S556 WeakPolarHBondContact CB-O 3.45Å; N526-S556 PolarHBondContact N-O 3.06Å; I530-S556 VanDerWaalsContact CD1-CB 3.48Å; L533-S556 WeakPolarHBondContact CD2-OG 3.47Å; L552-S556 WeakPolarHBondContact O-CB 3.39Å; L552-S556 PolarHBondContact O-N 3.36Å; L552-S556 PolarHBondContact O-OG 3.01Å; L553-S556 CarbonylContact O-C 3.56Å; L553-S556 PolarHBondContact O-N 2.92Å; I554-S556 VanDerWaalsContact C-N 3.31Å; I554-S556 PolarHBondContact O-N 2.91Å
557A90.8Very high88.7Confident0 Ų044.9 Ų44.90%020%0.198CC..BIsolated β-bridgetrans-71.2152.6179.300000113.7R529 L553 I554 N555 K559 P560 V563R529-A557 PolarHBondContact NH1-O 2.7Å; L553-A557 PolarHBondContact O-N 3.06Å; I554-A557 WeakPolarHBondContact O-CB 3.46Å; I554-A557 PolarHBondContact O-N 3.23Å; I554-A557 VanDerWaalsContact O-N 3.11Å; N555-A557 PolarHBondContact O-N 3.44Å; A557-K559 PolarHBondContact O-N 3.28Å; A557-P560 HydrophobicContact CB-CG 4.46Å; A557-V563 HydrophobicContact CB-CB 4.17Å; A557-V563 HydrophobicContact CB-CG2 3.47Å; A557-V563 VanDerWaalsContact CB-CG2 3.47Å
558Y87.1Confident88.6Confident114 Ų11445.7 Ų45.745%0.44720%0.203SC..SBendtrans-63-28.8165.4-66.5-70.6000112.1Y524 L525 N526 Y586Y524-Y558 WeakPolarHBondContact O-CD2 3.18Å; Y524-Y558 PolarHBondContact O-N 2.99Å; L525-Y558 WeakPolarHBondContact O-CE2 3.5Å; N526-Y558 HydrophobicContact CB-CD1 3.84Å; N526-Y558 HydrophobicContact CB-CD2 4.4Å; N526-Y558 HydrophobicContact CB-CE1 3.64Å; N526-Y558 HydrophobicContact CB-CE2 4.23Å; N526-Y558 HydrophobicContact CB-CG 4.21Å; N526-Y558 VanDerWaalsContact CG-CE1 3.48Å; Y558-Y586 PolarHBondContact O-OH 3.01Å
559K88.7Confident88.1Confident105 Ų10544.1 Ų44.146%0.45720%0.197SC..SBendtrans-146.197.5173.9-65.2-172.5179.4179.20108.6A557 S561 R562 Y586A557-K559 PolarHBondContact O-N 3.28Å; K559-S561 PolarHBondContact O-N 3.34Å; K559-R562 HydrophobicContact CB-CB 4.39Å; K559-R562 HydrophobicContact CB-CG 4.37Å; K559-R562 PolarHBondContact O-N 3.46Å; K559-Y586 HydrophobicContact CG-CE1 4.36Å
560P88.3Confident86.9Confident4 Ų450.6 Ų50.63%0.02623%0.232CC..Hα-helixtrans-51-40.6179.8-29.635.9000113.1I554 A557 R562 V563 L564 A584 Y586I554-P560 HydrophobicContact CG2-CB 3.8Å; I554-P560 WeakPolarHBondContact O-CA 3.41Å; I554-P560 WeakPolarHBondContact O-CB 3.49Å; I554-P560 WeakPolarHBondContact O-CG 3.22Å; A557-P560 HydrophobicContact CB-CG 4.46Å; P560-R562 PolarHBondContact O-N 3.35Å; P560-V563 PolarHBondContact O-N 3.43Å; P560-V563 VanDerWaalsContact O-N 3.09Å; P560-L564 PolarHBondContact O-N 3.3Å; P560-A584 HydrophobicContact CB-CB 3.62Å; P560-Y586 VanDerWaalsContact CD-CD2 3.42Å; P560-Y586 HydrophobicContact CG-CD2 4.15Å
561S85.2Confident85.1Confident21 Ų2157.7 Ų57.715%0.14727%0.265CS..Hα-helixtrans-65.2-4.9176.360.60000116.5K559 Y591K559-S561 PolarHBondContact O-N 3.34Å; S561-Y591 VanDerWaalsContact CB-CD1 3.46Å; S561-Y591 VanDerWaalsContact CB-CG 3.42Å
562R85.1Confident83Confident144 Ų14465.4 Ų65.454%0.54330%0.299SS..Hα-helixtrans-96-44.9165.1-77.8-166.7167.6-157.2-7.9112.1Y524 K559 P560 L564 R565 E566Y524-R562 HydrophobicContact CD1-CB 4.49Å; K559-R562 HydrophobicContact CB-CB 4.39Å; K559-R562 HydrophobicContact CB-CG 4.37Å; K559-R562 PolarHBondContact O-N 3.46Å; P560-R562 PolarHBondContact O-N 3.35Å; R562-L564 VanDerWaalsContact C-N 3.32Å; R562-L564 PolarHBondContact O-N 3.44Å; R562-R565 WeakPolarHBondContact O-CA 3.37Å; R562-R565 WeakPolarHBondContact O-CB 3.12Å; R562-R565 PolarHBondContact O-N 3.06Å; R562-E566 WeakPolarHBondContact O-CG 3.39Å; R562-E566 PolarHBondContact O-N 2.99Å
563V88.6Confident80.5Confident0 Ų068.3 Ų68.30%032%0.322CS..Hα-helixtrans-58.8-46176.3173.20000110.4L525 I554 A557 P560 R565 E566 L567 L615L525-V563 HydrophobicContact CD2-CG1 4.47Å; L525-V563 HydrophobicContact CD2-CG2 3.96Å; I554-V563 HydrophobicContact CB-CG1 4.46Å; I554-V563 HydrophobicContact CG1-CB 4.35Å; I554-V563 HydrophobicContact CG1-CG1 3.65Å; A557-V563 HydrophobicContact CB-CB 4.17Å; A557-V563 HydrophobicContact CB-CG2 3.47Å; A557-V563 VanDerWaalsContact CB-CG2 3.47Å; P560-V563 PolarHBondContact O-N 3.43Å; P560-V563 VanDerWaalsContact O-N 3.09Å; V563-R565 PolarHBondContact O-N 3.42Å; V563-R565 VanDerWaalsContact O-N 3.13Å; V563-E566 PolarHBondContact O-N 3.5Å; V563-L567 HydrophobicContact CG1-CD1 3.91Å; V563-L567 HydrophobicContact CG1-CG 4.25Å; V563-L567 WeakPolarHBondContact O-CB 3.47Å; V563-L567 VanDerWaalsContact O-CG 3.28Å; V563-L567 WeakPolarHBondContact O-CG 3.44Å; V563-L567 PolarHBondContact O-N 2.63Å; V563-L615 HydrophobicContact CB-CD2 4.39Å; V563-L615 HydrophobicContact CG1-CD1 3.99Å; V563-L615 HydrophobicContact CG1-CD2 3.87Å; V563-L615 HydrophobicContact CG2-CD2 4.28Å
564L87.4Confident78.3Confident4 Ų476.6 Ų76.62%0.02135%0.353CS..Hα-helixtrans-51.7-35.3171.3-83.8163.7000113.6I554 P560 R562 Q568 L582 A584 A593I554-L564 HydrophobicContact CD1-CD2 3.71Å; I554-L564 HydrophobicContact CD1-CG 4.03Å; I554-L564 HydrophobicContact CG1-CD2 4.49Å; I554-L564 HydrophobicContact CG1-CG 4.28Å; I554-L564 HydrophobicContact CG2-CD1 4.05Å; I554-L564 HydrophobicContact CG2-CD2 4.49Å; I554-L564 HydrophobicContact CG2-CG 3.85Å; P560-L564 PolarHBondContact O-N 3.3Å; R562-L564 VanDerWaalsContact C-N 3.32Å; R562-L564 PolarHBondContact O-N 3.44Å; L564-Q568 WeakPolarHBondContact O-CB 3.43Å; L564-Q568 PolarHBondContact O-N 3.12Å; L564-Q568 VanDerWaalsContact O-N 3.09Å; L564-L582 HydrophobicContact CD2-CB 3.77Å; L564-L582 WeakPolarHBondContact CD2-O 3.37Å; L564-A584 HydrophobicContact CD1-CB 3.6Å; L564-A593 HydrophobicContact CB-CB 4.09Å; L564-A593 HydrophobicContact CD2-CB 3.94Å
565R84.9Confident76.1Confident170 Ų17087.7 Ų87.764%0.64240%0.395SS*.Hα-helixtrans-80.3-41.4-178.9-172.7-177-60.5-130.5-8.7113R562 V563 L567 Q568R562-R565 WeakPolarHBondContact O-CA 3.37Å; R562-R565 WeakPolarHBondContact O-CB 3.12Å; R562-R565 PolarHBondContact O-N 3.06Å; V563-R565 PolarHBondContact O-N 3.42Å; V563-R565 VanDerWaalsContact O-N 3.13Å; R565-L567 PolarHBondContact O-N 2.83Å; R565-Q568 WeakPolarHBondContact O-CB 3.35Å; R565-Q568 PolarHBondContact O-N 3.45Å
566E86.4Confident74.1Confident77 Ų7793 Ų9336%0.3642%0.417SS..Hα-helixtrans-70.6-21.6176.1-52.4-50.7141.400111.9Y524 R562 V563 K614 L615Y524-E566 HydrophobicContact CD1-CG 4.47Å; Y524-E566 HydrophobicContact CE1-CG 4.16Å; Y524-E566 HydrophobicContact CE2-CG 4.46Å; R562-E566 WeakPolarHBondContact O-CG 3.39Å; R562-E566 PolarHBondContact O-N 2.99Å; V563-E566 PolarHBondContact O-N 3.5Å; E566-K614 WeakPolarHBondContact O-CD 3.38Å; E566-L615 HydrophobicContact CB-CD2 4.1Å
567L87.3Confident72.4Confident0 Ų094.8 Ų94.80%044%0.436CS..Hα-helixtrans-89.1-23.3174.7-64.5-171000114.2L550 V563 R565 V595 T611 K614 L615L550-L567 HydrophobicContact CD2-CD1 4.11Å; V563-L567 HydrophobicContact CG1-CD1 3.91Å; V563-L567 HydrophobicContact CG1-CG 4.25Å; V563-L567 WeakPolarHBondContact O-CB 3.47Å; V563-L567 VanDerWaalsContact O-CG 3.28Å; V563-L567 WeakPolarHBondContact O-CG 3.44Å; V563-L567 PolarHBondContact O-N 2.63Å; R565-L567 PolarHBondContact O-N 2.83Å; L567-V595 HydrophobicContact CB-CG1 3.95Å; L567-V595 HydrophobicContact CB-CG2 3.82Å; L567-T611 HydrophobicContact CD1-CG2 4.34Å; L567-T611 HydrophobicContact CD2-CG2 3.7Å; L567-K614 HydrophobicContact CD2-CB 4.09Å; L567-K614 HydrophobicContact CD2-CD 4.08Å; L567-K614 PolarHBondContact O-NZ 2.91Å; L567-L615 HydrophobicContact CD1-CD1 4.44Å; L567-L615 HydrophobicContact CD2-CD1 4.2Å; L567-L615 HydrophobicContact CD2-CD2 3.81Å; L567-L615 HydrophobicContact CD2-CG 3.86Å; L567-L615 HydrophobicContact CG-CD2 4.04Å; L567-L615 HydrophobicContact CG-CG 4.48Å
568Q85.6Confident71Confident94 Ų9497.9 Ų97.944%0.43945%0.451SS..BIsolated β-bridgetrans-49.6143.8-177-170165.9-1.200112.5L564 R565 A593 T594L564-Q568 WeakPolarHBondContact O-CB 3.43Å; L564-Q568 PolarHBondContact O-N 3.12Å; L564-Q568 VanDerWaalsContact O-N 3.09Å; R565-Q568 WeakPolarHBondContact O-CB 3.35Å; R565-Q568 PolarHBondContact O-N 3.45Å; Q568-A593 HydrophobicContact CB-CB 4.42Å; Q568-A593 HydrophobicContact CG-CB 4.29Å; Q568-T594 WeakPolarHBondContact CA-O 3.04Å
569L80.1Confident70.2Confident50 Ų5094.2 Ų94.226%0.26245%0.447SS..PPolyproline II helixtrans-73.4126.2168.5-84.1160.2000110.7T594 E596L569-T594 PolarHBondContact N-O 3.13Å; L569-E596 HydrophobicContact CD1-CB 4.16Å; L569-E596 HydrophobicContact CD2-CB 4.03Å; L569-E596 HydrophobicContact CG-CB 4.15Å
570D65.9Low69.7Low136 Ų13690.7 Ų90.773%0.72743%0.433SS*.PPolyproline II helixtrans-72.7137.3167.5-81-46.1000110.1E572 S573D570-E572 PolarHBondContact O-N 3.33Å; D570-S573 PolarHBondContact O-N 3.5Å
571Q54.9Low69.5Low150 Ų15093.8 Ų93.870%0.70145%0.452SS*.THydrogen-bonded Turntrans-62.1-19.6-168.3-70.9-172-95.500114.8
572E45.8Very low69.3Low196 Ų19693 Ų9392%0.91645%0.446SS*.THydrogen-bonded Turntrans-86.4-7.2-176.2-63.1-179.5153.900113.7D570D570-E572 PolarHBondContact O-N 3.33Å
573S39.2Very low69.2Low91 Ų9189.4 Ų89.464%0.63643%0.434SS*.  trans-103.342.7178.3-61.90000113.3D570D570-S573 PolarHBondContact O-N 3.5Å
574R44.1Very low68.8Low173 Ų17389.6 Ų89.665%0.65344%0.436SS*.  trans-62.8156.3164.5-77.8178.4163.7167.3-5.9109.7E465E465-R574 IonicContact OE1-NH2 3.18Å
575W45.7Very low68.2Low234 Ų23496.1 Ų96.189%0.88646%0.464SS*.SBendtrans76.965.2177.2-42.2110.7000118.2
576Q46.6Very low67.9Low184 Ų18490.9 Ų90.986%0.8645%0.445SS*.SBendtrans-177.4-4.6140.8-103.5154.641.600117.4
577G53Low67.4Low43 Ų4395.7 Ų95.744%0.44346%0.464SS..SBendtrans-139.8149174.400000112.1
578H60.4Low66.7Low66 Ų6699.9 Ų99.931%0.30651%0.507SS..EExtended strand (participates in β ladder)trans-75.2144.7173.7-70.7-90.4000110.4D15 E596 I597 R599D15-H578 IonicContact OD1-CE1 2.77Å; D15-H578 IonicContact OD2-CE1 2.61Å; D15-H578 PolarHBondContact OD2-CE1 2.9Å; D15-H578 VanDerWaalsContact OD2-CE1 3.26Å; D15-H578 IonicContact OD2-ND1 3.43Å; D15-H578 PolarHBondContact OD2-ND1 2.77Å; D15-H578 VanDerWaalsContact OD2-ND1 3.14Å; H578-E596 WeakPolarHBondContact O-CA 3.16Å; H578-I597 PolarHBondContact O-N 2.84Å; H578-R599 VanDerWaalsContact CD2-CD 3.48Å; H578-R599 WeakPolarHBondContact CD2-CD 3.29Å; H578-R599 PolarHBondContact CD2-NE 3.45Å; H578-R599 PolarHBondContact CE1-NH1 2.86Å; H578-R599 PolarHBondContact NE2-NH1 2.97Å
579G71.8Confident65.8Low36 Ų36102 Ų10237%0.37152%0.515SS..EExtended strand (participates in β ladder)trans-105110-179.600000111.6T594 V595G579-T594 VanDerWaalsContact C-CG2 3.41Å; G579-T594 WeakPolarHBondContact O-CG2 3.27Å; G579-V595 CarbonylContact C-O 3.6Å; G579-V595 WeakPolarHBondContact CA-O 3.42Å
580E78Confident65.7Low31 Ų31103.3 Ų103.315%0.14553%0.528CS..EExtended strand (participates in β ladder)trans-86.9131.8174.9-76-71.1153.600110.5V543 K547 L582 T594 V595 I597V543-E580 HydrophobicContact CG1-CG 4.03Å; V543-E580 VanDerWaalsContact CG1-OE1 3.3Å; V543-E580 WeakPolarHBondContact CG1-OE1 3.15Å; K547-E580 WeakPolarHBondContact CD-OE2 3.28Å; K547-E580 VanDerWaalsContact CE-OE2 3.23Å; K547-E580 WeakPolarHBondContact CE-OE2 3.21Å; K547-E580 IonicContact NZ-OE2 3.79Å; K547-E580 PolarHBondContact NZ-OE2 3.31Å; E580-L582 PolarHBondContact O-N 3.38Å; E580-T594 CarbonylContact O-C 3.6Å; E580-T594 WeakPolarHBondContact O-CA 3.36Å; E580-V595 PolarHBondContact N-O 2.97Å; E580-V595 PolarHBondContact O-N 3.04Å; E580-I597 HydrophobicContact CB-CB 4.48Å; E580-I597 HydrophobicContact CB-CD1 3.68Å; E580-I597 HydrophobicContact CB-CG1 3.92Å; E580-I597 HydrophobicContact CG-CB 4.04Å; E580-I597 HydrophobicContact CG-CD1 3.77Å; E580-I597 HydrophobicContact CG-CG1 3.98Å
581T83.5Confident66.4Low70 Ų70101 Ų10143%0.42951%0.51SS..EExtended strand (participates in β ladder)trans-88.7108.8-180-65.90000110.9R592 T594T581-R592 HydrophobicContact CG2-CB 4.17Å; T581-T594 PolarHBondContact OG1-OG1 2.91Å; T581-T594 VanDerWaalsContact OG1-OG1 3.07Å
582L81.8Confident67.8Low3 Ų3100.2 Ų100.22%0.01650%0.501CS..EExtended strand (participates in β ladder)trans-94.8134.3-179.3-57.3-179.9000110.6K547 L550 I554 L564 E580 R592 A593 V595K547-L582 HydrophobicContact CG-CD2 3.89Å; L550-L582 HydrophobicContact CB-CD1 3.56Å; L550-L582 HydrophobicContact CD1-CD1 3.93Å; L550-L582 HydrophobicContact CG-CD1 4.39Å; I554-L582 HydrophobicContact CD1-CB 3.97Å; I554-L582 HydrophobicContact CD1-CD1 3.55Å; I554-L582 HydrophobicContact CD1-CG 4.41Å; L564-L582 HydrophobicContact CD2-CB 3.77Å; L564-L582 WeakPolarHBondContact CD2-O 3.37Å; E580-L582 PolarHBondContact O-N 3.38Å; L582-R592 WeakPolarHBondContact O-CA 3.38Å; L582-A593 PolarHBondContact N-O 2.95Å; L582-A593 PolarHBondContact O-N 3.13Å; L582-V595 HydrophobicContact CD1-CB 4.09Å; L582-V595 HydrophobicContact CD1-CG2 4.02Å; L582-V595 HydrophobicContact CG-CG2 4.47Å
583K82.6Confident69.5Low70 Ų7091.2 Ų91.230%0.30446%0.46SS..EExtended strand (participates in β ladder)trans-100.8148.6177.7-51.8-174.7-174.8179.70110.7D23 E26 Y591 R592D23-K583 VanDerWaalsContact OD1-CE 3.25Å; D23-K583 WeakPolarHBondContact OD1-CE 3.27Å; D23-K583 IonicContact OD1-NZ 3.19Å; D23-K583 PolarHBondContact OD1-NZ 3.33Å; D23-K583 WeakPolarHBondContact OD2-CE 3.42Å; D23-K583 IonicContact OD2-NZ 3.68Å; D23-K583 PolarHBondContact OD2-NZ 3.03Å; E26-K583 IonicContact OE2-NZ 3.5Å; E26-K583 PolarHBondContact OE2-NZ 3.04Å; K583-Y591 CarbonylContact C-O 3.53Å; K583-Y591 WeakPolarHBondContact CA-O 3.38Å; K583-R592 HydrophobicContact CG-CG 4.1Å
584A79.8Confident71.7Confident4 Ų489.5 Ų89.53%0.03345%0.446CS..EExtended strand (participates in β ladder)trans-150.2134.3162.500000112.9I554 P560 L564 Y591I554-A584 HydrophobicContact CG2-CB 3.57Å; P560-A584 HydrophobicContact CB-CB 3.62Å; L564-A584 HydrophobicContact CD1-CB 3.6Å; A584-Y591 PolarHBondContact N-O 3.12Å; A584-Y591 PolarHBondContact O-N 2.97Å
585K75.1Confident73.6Confident141 Ų14181.4 Ų81.461%0.61342%0.415SS*.EExtended strand (participates in β ladder)trans-95119.5177-65.2176.1178.5175.70108.6E26E26-K585 IonicContact OE1-NZ 2.7Å; E26-K585 PolarHBondContact OE1-NZ 3.47Å
586Y79.3Confident75.5Confident60 Ų6073.2 Ų73.224%0.23539%0.387CS..EExtended strand (participates in β ladder)trans-138.2120.7178.7-178.7-101.4000112Y558 K559 P560 G588 K589Y558-Y586 PolarHBondContact O-OH 3.01Å; K559-Y586 HydrophobicContact CG-CE1 4.36Å; P560-Y586 VanDerWaalsContact CD-CD2 3.42Å; P560-Y586 HydrophobicContact CG-CD2 4.15Å; Y586-G588 PolarHBondContact O-N 2.94Å; Y586-K589 PolarHBondContact N-O 3.19Å; Y586-K589 PolarHBondContact O-N 3.48Å
587K75.5Confident77.4Confident178 Ų17864.6 Ų64.677%0.77435%0.347SS*.THydrogen-bonded Turntrans51.650.1-177.1-63.7-167.7171.9-147.30113.5K589K587-K589 PolarHBondContact O-N 2.91Å
588G72.6Confident79Confident87 Ų8763.4 Ų63.490%0.89733%0.331SS*.THydrogen-bonded Turntrans67.616.7179.800000114.5Y586Y586-G588 PolarHBondContact O-N 2.94Å
589K65.6Low80Confident138 Ų13865.1 Ų65.160%0.634%0.335SS*.EExtended strand (participates in β ladder)trans-128.1128.7175.2-59.9-159.2176-147.90111Y586 K587 Y591Y586-K589 PolarHBondContact N-O 3.19Å; Y586-K589 PolarHBondContact O-N 3.48Å; K587-K589 PolarHBondContact O-N 2.91Å; K589-Y591 HydrophobicContact CB-CE2 3.95Å; K589-Y591 WeakPolarHBondContact O-CD2 3.23Å; K589-Y591 WeakPolarHBondContact O-CE2 3.46Å
590S79.3Confident80.5Confident79 Ų7964.5 Ų64.555%0.55232%0.324SS*.EExtended strand (participates in β ladder)trans-79.3140.9172.5-59.50000110.5
591Y79.8Confident80.7Confident88 Ų8864.3 Ų64.335%0.34533%0.327SS..EExtended strand (participates in β ladder)trans-127.5127.5171.9-61.9-92000107.4S561 K583 A584 K589S561-Y591 VanDerWaalsContact CB-CD1 3.46Å; S561-Y591 VanDerWaalsContact CB-CG 3.42Å; K583-Y591 CarbonylContact C-O 3.53Å; K583-Y591 WeakPolarHBondContact CA-O 3.38Å; A584-Y591 PolarHBondContact N-O 3.12Å; A584-Y591 PolarHBondContact O-N 2.97Å; K589-Y591 HydrophobicContact CB-CE2 3.95Å; K589-Y591 WeakPolarHBondContact O-CD2 3.23Å; K589-Y591 WeakPolarHBondContact O-CE2 3.46Å
592R83.9Confident80.8Confident132 Ų13266.3 Ų66.350%0.49834%0.335SS..EExtended strand (participates in β ladder)trans-115.5139.4173.1-55.2-168.2-179.6-160-0.8108.3D23 E26 T581 L582 K583D23-R592 IonicContact OD2-CZ 2.67Å; D23-R592 IonicContact OD2-NH1 3.91Å; D23-R592 PolarHBondContact OD2-NH1 2.91Å; D23-R592 IonicContact OD2-NH2 3.76Å; D23-R592 PolarHBondContact OD2-NH2 3.05Å; E26-R592 IonicContact OE2-NH2 2.95Å; E26-R592 PolarHBondContact OE2-NH2 3.15Å; T581-R592 HydrophobicContact CG2-CB 4.17Å; L582-R592 WeakPolarHBondContact O-CA 3.38Å; K583-R592 HydrophobicContact CG-CG 4.1Å
593A82.7Confident80.9Confident7 Ų772.7 Ų72.76%0.05836%0.359CS..EExtended strand (participates in β ladder)trans-151.1140.8171.700000111.3L564 Q568 L582L564-A593 HydrophobicContact CB-CB 4.09Å; L564-A593 HydrophobicContact CD2-CB 3.94Å; Q568-A593 HydrophobicContact CB-CB 4.42Å; Q568-A593 HydrophobicContact CG-CB 4.29Å; L582-A593 PolarHBondContact N-O 2.95Å; L582-A593 PolarHBondContact O-N 3.13Å
594T84.5Confident81.3Confident55 Ų5569.4 Ų69.434%0.33735%0.345SS..EExtended strand (participates in β ladder)trans-85.4126.9179.4-44.40000110.7Q568 L569 G579 E580 T581Q568-T594 WeakPolarHBondContact CA-O 3.04Å; L569-T594 PolarHBondContact N-O 3.13Å; G579-T594 VanDerWaalsContact C-CG2 3.41Å; G579-T594 WeakPolarHBondContact O-CG2 3.27Å; E580-T594 CarbonylContact O-C 3.6Å; E580-T594 WeakPolarHBondContact O-CA 3.36Å; T581-T594 PolarHBondContact OG1-OG1 2.91Å; T581-T594 VanDerWaalsContact OG1-OG1 3.07Å
595V85.1Confident81.7Confident3 Ų370.4 Ų70.42%0.01835%0.353CS..EExtended strand (participates in β ladder)trans-126136.7-173.3178.80000109L550 L567 G579 E580 L582 I597L550-V595 HydrophobicContact CD1-CG1 4.13Å; L567-V595 HydrophobicContact CB-CG1 3.95Å; L567-V595 HydrophobicContact CB-CG2 3.82Å; G579-V595 CarbonylContact C-O 3.6Å; G579-V595 WeakPolarHBondContact CA-O 3.42Å; E580-V595 PolarHBondContact N-O 2.97Å; E580-V595 PolarHBondContact O-N 3.04Å; L582-V595 HydrophobicContact CD1-CB 4.09Å; L582-V595 HydrophobicContact CD1-CG2 4.02Å; L582-V595 HydrophobicContact CG-CG2 4.47Å; V595-I597 PolarHBondContact O-N 3.49Å
596E84.1Confident82.3Confident62 Ų6267.7 Ų67.729%0.2935%0.346SS..EExtended strand (participates in β ladder)trans-59.4130.1175.2-164.3-170.6163.800110.6L569 H578 F607L569-E596 HydrophobicContact CD1-CB 4.16Å; L569-E596 HydrophobicContact CD2-CB 4.03Å; L569-E596 HydrophobicContact CG-CB 4.15Å; H578-E596 WeakPolarHBondContact O-CA 3.16Å; E596-F607 WeakPolarHBondContact O-CE2 3.42Å; E596-F607 WeakPolarHBondContact O-CZ 3.42Å
597I87.4Confident82.9Confident3 Ų365.3 Ų65.32%0.01534%0.336CS..EExtended strand (participates in β ladder)trans-129.3138.3169-61.4-164.3000109.8L546 K547 L550 H578 E580 V595L546-I597 HydrophobicContact CB-CD1 4.36Å; L546-I597 HydrophobicContact CB-CG2 3.68Å; L546-I597 HydrophobicContact CD1-CG2 3.89Å; L546-I597 HydrophobicContact CG-CG2 4.44Å; K547-I597 HydrophobicContact CB-CD1 4.08Å; L550-I597 HydrophobicContact CD1-CD1 3.52Å; L550-I597 HydrophobicContact CD1-CG1 3.78Å; H578-I597 PolarHBondContact O-N 2.84Å; E580-I597 HydrophobicContact CB-CB 4.48Å; E580-I597 HydrophobicContact CB-CD1 3.68Å; E580-I597 HydrophobicContact CB-CG1 3.92Å; E580-I597 HydrophobicContact CG-CB 4.04Å; E580-I597 HydrophobicContact CG-CD1 3.77Å; E580-I597 HydrophobicContact CG-CG1 3.98Å; V595-I597 PolarHBondContact O-N 3.49Å
598V86.1Confident83.7Confident18 Ų1856.8 Ų56.811%0.10930%0.299CS..  trans-88.1129.1-179.9-630000111.3L546 R603 V604 F607L546-V598 HydrophobicContact CD1-CG2 3.6Å; V598-R603 HydrophobicContact CB-CB 3.84Å; V598-R603 HydrophobicContact CG1-CB 3.93Å; V598-R603 HydrophobicContact CG2-CB 4.04Å; V598-V604 HydrophobicContact CG2-CG2 4.12Å; V598-F607 HydrophobicContact CG1-CB 4.01Å; V598-F607 HydrophobicContact CG1-CD2 4.11Å; V598-F607 HydrophobicContact CG1-CG 4.24Å; V598-F607 HydrophobicContact CG2-CB 3.62Å; V598-F607 HydrophobicContact CG2-CD1 4.4Å; V598-F607 HydrophobicContact CG2-CG 3.93Å
599R82.6Confident84.6Confident103 Ų10356.6 Ų56.639%0.38927%0.271SS..  trans-81.6-17.5-178.7-67.5-168.5164.1179.2-14.3114.4Y508 C542 V543 H578Y508-R599 WeakPolarHBondContact CD1-O 3.43Å; C542-R599 VanDerWaalsContact CB-O 3.29Å; C542-R599 WeakPolarHBondContact CB-O 3.48Å; V543-R599 HydrophobicContact CG2-CB 4.49Å; V543-R599 HydrophobicContact CG2-CG 3.72Å; H578-R599 VanDerWaalsContact CD2-CD 3.48Å; H578-R599 WeakPolarHBondContact CD2-CD 3.29Å; H578-R599 PolarHBondContact CD2-NE 3.45Å; H578-R599 PolarHBondContact CE1-NH1 2.86Å; H578-R599 PolarHBondContact NE2-NH1 2.97Å
600T81.7Confident85.6Confident22 Ų2256.4 Ų56.414%0.13527%0.271CS..SBendtrans-117.8142.5-172.560.70000114K507 Y508 D602 R603K507-T600 HydrophobicContact CG-CG2 4.32Å; K507-T600 WeakPolarHBondContact O-CA 3.18Å; Y508-T600 HydrophobicContact CD1-CG2 3.94Å; Y508-T600 HydrophobicContact CE1-CG2 3.66Å; T600-D602 VanDerWaalsContact C-N 3.3Å; T600-D602 WeakPolarHBondContact CB-OD1 3.34Å; T600-D602 PolarHBondContact O-N 2.81Å; T600-D602 PolarHBondContact OG1-OD1 2.83Å; T600-R603 PolarHBondContact O-N 3.31Å; T600-R603 VanDerWaalsContact O-N 3.1Å
601A82.2Confident86.1Confident27 Ų2752.9 Ų52.922%0.22325%0.246CC..Hα-helixtrans-60.8-32.1-169.600000114.5K507 C509 R603 V604K507-A601 PolarHBondContact O-N 3.33Å; C509-A601 VanDerWaalsContact O-CB 3.26Å; C509-A601 WeakPolarHBondContact O-CB 3.42Å; A601-R603 VanDerWaalsContact C-N 3.3Å; A601-R603 PolarHBondContact O-N 3.04Å; A601-V604 WeakPolarHBondContact O-CB 3.45Å; A601-V604 PolarHBondContact O-N 3.39Å
602D84.7Confident86.6Confident112 Ų11248.7 Ų48.760%0.59923%0.23SC*.Hα-helixtrans-61.3-35.9176.564.6-53.6000112.6T600T600-D602 VanDerWaalsContact C-N 3.3Å; T600-D602 WeakPolarHBondContact CB-OD1 3.34Å; T600-D602 PolarHBondContact O-N 2.81Å; T600-D602 PolarHBondContact OG1-OD1 2.83Å
603R85.8Confident86.7Confident138 Ų13845.8 Ų45.852%0.52123%0.226SC..Hα-helixtrans-85.4-20.1-175.2-59.7-176-179.5-165.9-0.5113.3V598 T600 A601 A605 D606 F607V598-R603 HydrophobicContact CB-CB 3.84Å; V598-R603 HydrophobicContact CG1-CB 3.93Å; V598-R603 HydrophobicContact CG2-CB 4.04Å; T600-R603 PolarHBondContact O-N 3.31Å; T600-R603 VanDerWaalsContact O-N 3.1Å; A601-R603 VanDerWaalsContact C-N 3.3Å; A601-R603 PolarHBondContact O-N 3.04Å; R603-A605 VanDerWaalsContact C-N 3.3Å; R603-A605 PolarHBondContact O-N 2.69Å; R603-D606 PolarHBondContact O-N 2.98Å; R603-F607 PolarHBondContact O-N 2.95Å
604V89Confident86.9Confident0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-53.9-43-174.9170.70000112.6P511 I513 L546 V598 A601 D606 F607 C608P511-V604 HydrophobicContact CG-CG1 4.27Å; I513-V604 HydrophobicContact CD1-CG1 3.37Å; L546-V604 HydrophobicContact CD1-CG2 4.31Å; L546-V604 HydrophobicContact CD2-CG1 4.46Å; V598-V604 HydrophobicContact CG2-CG2 4.12Å; A601-V604 WeakPolarHBondContact O-CB 3.45Å; A601-V604 PolarHBondContact O-N 3.39Å; V604-D606 VanDerWaalsContact C-N 3.34Å; V604-D606 PolarHBondContact O-N 3.45Å; V604-F607 PolarHBondContact O-N 2.05Å; V604-C608 PolarHBondContact O-N 3.45Å; V604-C608 VanDerWaalsContact O-N 3.09Å; V604-C608 PolarHBondContact O-SG 2.77Å
605A89.1Confident87.1Confident25 Ų2546.4 Ų46.421%0.20722%0.223CC..Hα-helixtrans-64.9-37.4-176.100000113.1R603 R609 P624R603-A605 VanDerWaalsContact C-N 3.3Å; R603-A605 PolarHBondContact O-N 2.69Å; A605-R609 VanDerWaalsContact O-CZ 3.27Å; A605-R609 PolarHBondContact O-N 3.18Å; A605-R609 PolarHBondContact O-NE 2.79Å; A605-R609 PolarHBondContact O-NH2 2.72Å; A605-P624 HydrophobicContact CB-CG 3.61Å
606D87.8Confident87.2Confident85 Ų8550 Ų5046%0.45524%0.239SC..Hα-helixtrans-87.2-26.6179-78.6-6.5000112.6R603 V604 R609 K610R603-D606 PolarHBondContact O-N 2.98Å; V604-D606 VanDerWaalsContact C-N 3.34Å; V604-D606 PolarHBondContact O-N 3.45Å; D606-R609 PolarHBondContact O-N 2.9Å; D606-R609 IonicContact OD1-CZ 2.67Å; D606-R609 IonicContact OD1-NE 2.87Å; D606-R609 PolarHBondContact OD1-NE 2.85Å; D606-R609 IonicContact OD1-NH2 3.99Å; D606-R609 PolarHBondContact OD1-NH2 3.14Å; D606-K610 WeakPolarHBondContact O-CB 3.26Å; D606-K610 VanDerWaalsContact O-CG 3.25Å; D606-K610 WeakPolarHBondContact O-CG 3.44Å; D606-K610 PolarHBondContact O-N 3.43Å
607F92.3Very high87.3Confident9 Ų947.3 Ų47.34%0.03923%0.227CC..Hα-helixtrans-57.3-53167176.7-104.5000111.4L546 L550 E596 V598 R603 V604 R609 K610 T611L546-F607 HydrophobicContact CB-CE1 4.46Å; L546-F607 HydrophobicContact CD1-CD1 3.71Å; L546-F607 HydrophobicContact CD1-CE1 4.08Å; L546-F607 HydrophobicContact CD1-CG 4.46Å; L546-F607 HydrophobicContact CD2-CD1 3.93Å; L546-F607 HydrophobicContact CD2-CE1 4.14Å; L546-F607 HydrophobicContact CG-CD1 4.38Å; L546-F607 HydrophobicContact CG-CE1 4.47Å; L550-F607 HydrophobicContact CD1-CE1 4.15Å; L550-F607 HydrophobicContact CD1-CZ 3.9Å; L550-F607 HydrophobicContact CD2-CE1 4.3Å; L550-F607 HydrophobicContact CD2-CZ 4.3Å; L550-F607 HydrophobicContact CG-CE1 4.5Å; E596-F607 WeakPolarHBondContact O-CE2 3.42Å; E596-F607 WeakPolarHBondContact O-CZ 3.42Å; V598-F607 HydrophobicContact CG1-CB 4.01Å; V598-F607 HydrophobicContact CG1-CD2 4.11Å; V598-F607 HydrophobicContact CG1-CG 4.24Å; V598-F607 HydrophobicContact CG2-CB 3.62Å; V598-F607 HydrophobicContact CG2-CD1 4.4Å; V598-F607 HydrophobicContact CG2-CG 3.93Å; R603-F607 PolarHBondContact O-N 2.95Å; V604-F607 PolarHBondContact O-N 2.05Å; F607-R609 VanDerWaalsContact C-N 3.3Å; F607-R609 PolarHBondContact O-N 2.76Å; F607-K610 PolarHBondContact O-N 2.75Å; F607-T611 WeakPolarHBondContact CZ-OG1 3.3Å; F607-T611 WeakPolarHBondContact O-CB 3.31Å; F607-T611 PolarHBondContact O-N 3.22Å; F607-T611 PolarHBondContact O-OG1 2.93Å
608C92.4Very high87.3Confident0 Ų047.1 Ų47.10%023%0.226CC..Hα-helixtrans-58.2-42.5179.8-61.20000111.7V604 T611 C612 F622V604-C608 PolarHBondContact O-N 3.45Å; V604-C608 VanDerWaalsContact O-N 3.09Å; V604-C608 PolarHBondContact O-SG 2.77Å; C608-T611 PolarHBondContact O-N 2.87Å; C608-C612 WeakPolarHBondContact O-CB 3.2Å; C608-C612 PolarHBondContact O-N 2.9Å; C608-C612 PolarHBondContact O-SG 3.08Å; C608-F622 HydrophobicContact CB-CD2 3.89Å; C608-F622 HydrophobicContact CB-CE2 3.64Å; C608-F622 HydrophobicContact CB-CZ 4.26Å; C608-F622 WeakPolarHBondContact CB-O 3.43Å
609R90.2Very high87.3Confident82 Ų8247.6 Ų47.631%0.30923%0.23SC..Hα-helixtrans-62.1-47.7174.4-81.2-175.8-82.9-89.26.2113.1A605 D606 F607 T611 C612 V613 P619A605-R609 VanDerWaalsContact O-CZ 3.27Å; A605-R609 PolarHBondContact O-N 3.18Å; A605-R609 PolarHBondContact O-NE 2.79Å; A605-R609 PolarHBondContact O-NH2 2.72Å; D606-R609 PolarHBondContact O-N 2.9Å; D606-R609 IonicContact OD1-CZ 2.67Å; D606-R609 IonicContact OD1-NE 2.87Å; D606-R609 PolarHBondContact OD1-NE 2.85Å; D606-R609 IonicContact OD1-NH2 3.99Å; D606-R609 PolarHBondContact OD1-NH2 3.14Å; F607-R609 VanDerWaalsContact C-N 3.3Å; F607-R609 PolarHBondContact O-N 2.76Å; R609-T611 VanDerWaalsContact C-N 3.35Å; R609-T611 PolarHBondContact O-N 3.01Å; R609-C612 WeakPolarHBondContact O-CB 3.36Å; R609-C612 PolarHBondContact O-N 2.82Å; R609-V613 WeakPolarHBondContact O-CG2 3.21Å; R609-V613 PolarHBondContact O-N 2.91Å; R609-P619 HydrophobicContact CG-CB 4.39Å; R609-P619 WeakPolarHBondContact CG-O 3.31Å
610K87.7Confident87.6Confident135 Ų13544.1 Ų44.159%0.58722%0.219SC*.Hα-helixtrans-59.6-45.4177.6-76.1170.4-179.9179.90111.2D606 F607 V613 K614D606-K610 WeakPolarHBondContact O-CB 3.26Å; D606-K610 VanDerWaalsContact O-CG 3.25Å; D606-K610 WeakPolarHBondContact O-CG 3.44Å; D606-K610 PolarHBondContact O-N 3.43Å; F607-K610 PolarHBondContact O-N 2.75Å; K610-V613 CarbonylContact O-C 3.39Å; K610-V613 PolarHBondContact O-N 3.18Å; K610-K614 PolarHBondContact O-N 3.08Å
611T90.1Very high88Confident5 Ų543.1 Ų43.13%0.03121%0.213CC..Hα-helixtrans-64.6-42.4178.7-65.20000111.8L550 L567 F607 C608 R609 V613 K614 L615 F622L550-T611 HydrophobicContact CD2-CG2 3.72Å; L567-T611 HydrophobicContact CD1-CG2 4.34Å; L567-T611 HydrophobicContact CD2-CG2 3.7Å; F607-T611 WeakPolarHBondContact CZ-OG1 3.3Å; F607-T611 WeakPolarHBondContact O-CB 3.31Å; F607-T611 PolarHBondContact O-N 3.22Å; F607-T611 PolarHBondContact O-OG1 2.93Å; C608-T611 PolarHBondContact O-N 2.87Å; R609-T611 VanDerWaalsContact C-N 3.35Å; R609-T611 PolarHBondContact O-N 3.01Å; T611-V613 VanDerWaalsContact C-N 3.3Å; T611-V613 PolarHBondContact O-N 3.17Å; T611-K614 WeakPolarHBondContact O-CB 3.39Å; T611-K614 PolarHBondContact O-N 3.11Å; T611-L615 WeakPolarHBondContact O-CG 3.44Å; T611-L615 PolarHBondContact O-N 3.27Å; T611-L615 VanDerWaalsContact O-N 3.11Å; T611-F622 HydrophobicContact CG2-CE1 4.09Å; T611-F622 HydrophobicContact CG2-CZ 3.64Å
612C89.6Confident88.5Confident0 Ų041.9 Ų41.90%020%0.202CC..Hα-helixtrans-56.6-43.3170.7-73.90000112.6C608 R609 L615 E616 C617 C618 F622C608-C612 WeakPolarHBondContact O-CB 3.2Å; C608-C612 PolarHBondContact O-N 2.9Å; C608-C612 PolarHBondContact O-SG 3.08Å; R609-C612 WeakPolarHBondContact O-CB 3.36Å; R609-C612 PolarHBondContact O-N 2.82Å; C612-L615 CarbonylContact O-C 3.56Å; C612-L615 PolarHBondContact O-N 3.36Å; C612-E616 PolarHBondContact O-N 3.04Å; C612-C617 WeakPolarHBondContact CA-SG 3.49Å; C612-C617 PolarHBondContact O-N 3.24Å; C612-C617 VanDerWaalsContact O-N 3.12Å; C612-C617 PolarHBondContact O-SG 3.36Å; C612-C618 VanDerWaalsContact CB-O 3.24Å; C612-C618 WeakPolarHBondContact CB-O 3.4Å; C612-C618 PolarHBondContact SG-O 3.25Å; C612-C618 VanDerWaalsContact SG-O 3.38Å; C612-F622 WeakPolarHBondContact SG-CD1 3.38Å; C612-F622 WeakPolarHBondContact SG-CE1 3.49Å
613V85.7Confident88.8Confident70 Ų7036.9 Ų36.942%0.42418%0.177SC..Hα-helixtrans-71.8-29.7179.5171.60000112.8R609 K610 T611 L615 P619R609-V613 WeakPolarHBondContact O-CG2 3.21Å; R609-V613 PolarHBondContact O-N 2.91Å; K610-V613 CarbonylContact O-C 3.39Å; K610-V613 PolarHBondContact O-N 3.18Å; T611-V613 VanDerWaalsContact C-N 3.3Å; T611-V613 PolarHBondContact O-N 3.17Å; V613-L615 VanDerWaalsContact C-N 3.33Å; V613-P619 HydrophobicContact CG2-CB 4.43Å; V613-P619 HydrophobicContact CG2-CG 4Å
614K87.3Confident88.9Confident76 Ų7632 Ų3233%0.3316%0.163SC..Hα-helixtrans-61.3-42.4167.4-78.8-175.8166.9-166.80110.7E566 L567 K610 T611 E616E566-K614 WeakPolarHBondContact O-CD 3.38Å; L567-K614 HydrophobicContact CD2-CB 4.09Å; L567-K614 HydrophobicContact CD2-CD 4.08Å; L567-K614 PolarHBondContact O-NZ 2.91Å; K610-K614 PolarHBondContact O-N 3.08Å; T611-K614 WeakPolarHBondContact O-CB 3.39Å; T611-K614 PolarHBondContact O-N 3.11Å; K614-E616 VanDerWaalsContact C-N 3.28Å; K614-E616 PolarHBondContact O-N 2.73Å
615L89.2Confident88.6Confident0 Ų041.3 Ų41.30%020%0.198CC..THydrogen-bonded Turntrans-85.316-177.6-59.2-178.9000115.2Y524 L525 V563 E566 L567 T611 C612 V613 C617Y524-L615 WeakPolarHBondContact CD2-O 3.39Å; L525-L615 HydrophobicContact CD1-CD1 4.17Å; L525-L615 HydrophobicContact CD2-CD1 4.28Å; L525-L615 HydrophobicContact CG-CD1 4.44Å; V563-L615 HydrophobicContact CB-CD2 4.39Å; V563-L615 HydrophobicContact CG1-CD1 3.99Å; V563-L615 HydrophobicContact CG1-CD2 3.87Å; V563-L615 HydrophobicContact CG2-CD2 4.28Å; E566-L615 HydrophobicContact CB-CD2 4.1Å; L567-L615 HydrophobicContact CD1-CD1 4.44Å; L567-L615 HydrophobicContact CD2-CD1 4.2Å; L567-L615 HydrophobicContact CD2-CD2 3.81Å; L567-L615 HydrophobicContact CD2-CG 3.86Å; L567-L615 HydrophobicContact CG-CD2 4.04Å; L567-L615 HydrophobicContact CG-CG 4.48Å; T611-L615 WeakPolarHBondContact O-CG 3.44Å; T611-L615 PolarHBondContact O-N 3.27Å; T611-L615 VanDerWaalsContact O-N 3.11Å; C612-L615 CarbonylContact O-C 3.56Å; C612-L615 PolarHBondContact O-N 3.36Å; V613-L615 VanDerWaalsContact C-N 3.33Å; L615-C617 PolarHBondContact O-N 3.26Å
616E85.8Confident88.3Confident78 Ų7843.6 Ų43.636%0.36421%0.206SC..THydrogen-bonded Turntrans50.326.6-179.4-68.4178.5-116.900114.1G522 P523 Y524 C612 K614G522-E616 WeakPolarHBondContact CA-O 3.15Å; P523-E616 VanDerWaalsContact CD-CB 3.49Å; P523-E616 HydrophobicContact CG-CB 3.86Å; Y524-E616 HydrophobicContact CE2-CB 4.19Å; Y524-E616 HydrophobicContact CE2-CG 4.1Å; Y524-E616 VanDerWaalsContact CE2-OE1 3.3Å; Y524-E616 WeakPolarHBondContact CE2-OE1 3.45Å; Y524-E616 PolarHBondContact OH-OE1 2.91Å; C612-E616 PolarHBondContact O-N 3.04Å; K614-E616 VanDerWaalsContact C-N 3.28Å; K614-E616 PolarHBondContact O-N 2.73Å
617C87.5Confident87.9Confident5 Ų541.1 Ų41.13%0.03419%0.194CC..SBendtrans-104.7178.7179.374.70000111.4F520 C612 L615 L621F520-C617 WeakPolarHBondContact O-CB 3.47Å; C612-C617 WeakPolarHBondContact CA-SG 3.49Å; C612-C617 PolarHBondContact O-N 3.24Å; C612-C617 VanDerWaalsContact O-N 3.12Å; C612-C617 PolarHBondContact O-SG 3.36Å; L615-C617 PolarHBondContact O-N 3.26Å; C617-L621 HydrophobicContact CB-CD2 3.88Å; C617-L621 VanDerWaalsContact SG-CD2 3.5Å
618C87.4Confident86.3Confident0 Ų046.9 Ų46.90%022%0.224CC..  trans-60.1131.9175.9-177.40000110.4C519 F520 C612 N620 L621 C631 C635 Y643C519-C618 HydrophobicContact CB-CB 3.86Å; F520-C618 HydrophobicContact CB-CB 4.37Å; F520-C618 PolarHBondContact O-N 3.4Å; C612-C618 VanDerWaalsContact CB-O 3.24Å; C612-C618 WeakPolarHBondContact CB-O 3.4Å; C612-C618 PolarHBondContact SG-O 3.25Å; C612-C618 VanDerWaalsContact SG-O 3.38Å; C618-N620 PolarHBondContact O-N 2.82Å; C618-L621 HydrophobicContact CB-CB 4.34Å; C618-L621 VanDerWaalsContact O-CB 3.26Å; C618-L621 WeakPolarHBondContact O-CB 3.45Å; C618-L621 PolarHBondContact O-N 2.86Å; C618-C631 VanDerWaalsContact SG-SG 3.65Å; C618-C635 HydrophobicContact CB-CB 4.3Å; C618-Y643 WeakPolarHBondContact CA-OH 3.29Å
619P86.1Confident84.7Confident28 Ų2853 Ų5318%0.18225%0.253CS..THydrogen-bonded Turntrans-53.2-24.2174.6-28.434.7000114.8R609 V613R609-P619 HydrophobicContact CG-CB 4.39Å; R609-P619 WeakPolarHBondContact CG-O 3.31Å; V613-P619 HydrophobicContact CG2-CB 4.43Å; V613-P619 HydrophobicContact CG2-CG 4Å
620N87.9Confident83.4Confident30 Ų3056 Ų5616%0.1627%0.27CS..THydrogen-bonded Turntrans-104.819.4177.4-58.7-45.2000112.7N516 C618 F622 V627 S632N516-N620 WeakPolarHBondContact CB-O 3.33Å; N516-N620 PolarHBondContact ND2-O 3.36Å; C618-N620 PolarHBondContact O-N 2.82Å; N620-F622 VanDerWaalsContact C-N 3.27Å; N620-F622 PolarHBondContact O-N 3.46Å; N620-V627 HydrophobicContact CB-CG2 4.47Å; N620-S632 PolarHBondContact ND2-OG 2.85Å; N620-S632 VanDerWaalsContact ND2-OG 3.07Å
621L90.1Very high82.8Confident0 Ų049.9 Ų49.90%024%0.244CC..SBendtrans-61.4-38.2176.8-179.870000111.3N516 C519 L525 I530 C617 C618N516-L621 PolarHBondContact N-O 2.93Å; C519-L621 HydrophobicContact CB-CB 4.48Å; C519-L621 HydrophobicContact CB-CD1 3.91Å; L525-L621 HydrophobicContact CD1-CD2 3.63Å; I530-L621 HydrophobicContact CG2-CD1 4.19Å; C617-L621 HydrophobicContact CB-CD2 3.88Å; C617-L621 VanDerWaalsContact SG-CD2 3.5Å; C618-L621 HydrophobicContact CB-CB 4.34Å; C618-L621 VanDerWaalsContact O-CB 3.26Å; C618-L621 WeakPolarHBondContact O-CB 3.45Å; C618-L621 PolarHBondContact O-N 2.86Å
622F93.1Very high81.9Confident2 Ų253.6 Ų53.61%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-142.9156.5167.273.2-82.1000111I513 Y514 F515 V549 L553 C608 T611 C612 N620I513-F622 HydrophobicContact CG2-CD2 3.93Å; Y514-F622 CarbonylContact O-C 3.57Å; Y514-F622 WeakPolarHBondContact O-CA 3.4Å; Y514-F622 WeakPolarHBondContact O-CB 3.34Å; F515-F622 HydrophobicContact CD1-CB 3.68Å; F515-F622 HydrophobicContact CE1-CB 3.94Å; F515-F622 HydrophobicContact CE1-CG 4.32Å; F515-F622 HydrophobicContact CG-CB 4.48Å; V549-F622 HydrophobicContact CG1-CD2 3.54Å; V549-F622 HydrophobicContact CG1-CE2 3.6Å; V549-F622 HydrophobicContact CG1-CG 4.38Å; V549-F622 HydrophobicContact CG1-CZ 4.48Å; L553-F622 HydrophobicContact CD1-CD1 3.7Å; L553-F622 HydrophobicContact CD1-CD2 4.4Å; L553-F622 HydrophobicContact CD1-CE1 3.38Å; L553-F622 HydrophobicContact CD1-CE2 4.12Å; L553-F622 HydrophobicContact CD1-CG 4.22Å; L553-F622 HydrophobicContact CD1-CZ 3.61Å; L553-F622 HydrophobicContact CD2-CD1 4.31Å; C608-F622 HydrophobicContact CB-CD2 3.89Å; C608-F622 HydrophobicContact CB-CE2 3.64Å; C608-F622 HydrophobicContact CB-CZ 4.26Å; C608-F622 WeakPolarHBondContact CB-O 3.43Å; T611-F622 HydrophobicContact CG2-CE1 4.09Å; T611-F622 HydrophobicContact CG2-CZ 3.64Å; C612-F622 WeakPolarHBondContact SG-CD1 3.38Å; C612-F622 WeakPolarHBondContact SG-CE1 3.49Å; N620-F622 VanDerWaalsContact C-N 3.27Å; N620-F622 PolarHBondContact O-N 3.46Å
623G90.1Very high80.8Confident7 Ų757.9 Ų57.97%0.07229%0.291CS..EExtended strand (participates in β ladder)trans152.1-179.3178.300000113.5Y514 R625Y514-G623 PolarHBondContact N-O 3.3Å; Y514-G623 PolarHBondContact O-N 3.33Å; G623-R625 PolarHBondContact O-N 3.41Å
624P87.8Confident80Confident35 Ų3559.1 Ų59.123%0.22730%0.295CS..SBendtrans-74.615.9-174.530.7-36.3000115.3P511 K512 I513 A605P511-P624 HydrophobicContact CB-CB 4.11Å; P511-P624 HydrophobicContact CG-CB 3.73Å; K512-P624 WeakPolarHBondContact O-CA 3.16Å; I513-P624 HydrophobicContact CD1-CB 4.21Å; A605-P624 HydrophobicContact CB-CG 3.61Å
625R83.7Confident79.3Confident195 Ų19555.6 Ų55.674%0.73628%0.28SS*.SBendtrans-126.7116.7173.1-72.7-172.9175-176.8-2.6109.6N516 G623N516-R625 PolarHBondContact ND2-O 2.93Å; G623-R625 PolarHBondContact O-N 3.41Å
626M83.1Confident78Confident73 Ų7359 Ų5936%0.3630%0.303SS..  trans-69.4138.7169.7-163.6-166.9-7000109.9Y514 N516 L628Y514-M626 HydrophobicContact CD1-CB 3.9Å; Y514-M626 HydrophobicContact CD1-CE 3.49Å; Y514-M626 VanDerWaalsContact CD1-CE 3.49Å; Y514-M626 HydrophobicContact CD1-CG 4.01Å; Y514-M626 HydrophobicContact CD2-CB 4.02Å; Y514-M626 HydrophobicContact CE1-CB 4.3Å; Y514-M626 HydrophobicContact CE1-CE 3.3Å; Y514-M626 HydrophobicContact CE2-CB 4.39Å; Y514-M626 HydrophobicContact CG-CB 3.76Å; Y514-M626 HydrophobicContact CG-CE 4.5Å; Y514-M626 HydrophobicContact CG-CG 4.21Å; N516-M626 WeakPolarHBondContact OD1-CA 3.4Å; M626-L628 HydrophobicContact CG-CD2 4.43Å; M626-L628 HydrophobicContact SD-CD2 3.47Å; M626-L628 WeakPolarHBondContact SD-CD2 3.47Å; M626-L628 HydrophobicContact SD-CG 4.21Å
627V78.3Confident76.8Confident33 Ų3360.5 Ų60.520%0.232%0.318CS..  trans-118.595.7177.4177.90000108.3N516 N620 C631N516-V627 HydrophobicContact CB-CB 4.18Å; N516-V627 PolarHBondContact OD1-N 2.73Å; N620-V627 HydrophobicContact CB-CG2 4.47Å; V627-C631 HydrophobicContact CG1-CB 4.02Å
628L59.2Low75.5Confident130 Ų13062.6 Ų62.668%0.68133%0.328SS*.  trans-66.1-50.2-170.2-70166.2000113.5M626M626-L628 HydrophobicContact CG-CD2 4.43Å; M626-L628 HydrophobicContact SD-CD2 3.47Å; M626-L628 WeakPolarHBondContact SD-CD2 3.47Å; M626-L628 HydrophobicContact SD-CG 4.21Å
629E58.2Low74.2Confident128 Ų12867 Ų6760%0.59836%0.355SS*.SBendtrans-129.1-59.3-175.8-61.9-155.1131.100114
630H64.7Low72.8Confident146 Ų14671.3 Ų71.368%0.67637%0.371SS*.  trans-112.5121.7-170.9-6789.1000110.4
631C74.9Confident71.3Confident7 Ų775.6 Ų75.65%0.04740%0.399CS..  trans-84.2135.6177.8-175.20000110.7C519 C618 V627 E633 N634 C635C519-C631 VanDerWaalsContact SG-SG 3.65Å; C618-C631 VanDerWaalsContact SG-SG 3.65Å; V627-C631 HydrophobicContact CG1-CB 4.02Å; C631-E633 PolarHBondContact O-N 2.87Å; C631-E633 VanDerWaalsContact O-N 3.11Å; C631-N634 WeakPolarHBondContact O-CA 3.41Å; C631-N634 PolarHBondContact O-N 2.86Å; C631-C635 VanDerWaalsContact SG-SG 3.68Å
632S69.8Low69.7Low83 Ų8380.8 Ų80.858%0.5842%0.421SS*.THydrogen-bonded Turntrans-49.9-37.817757.40000113.4N620 N634N620-S632 PolarHBondContact ND2-OG 2.85Å; N620-S632 VanDerWaalsContact ND2-OG 3.07Å; S632-N634 PolarHBondContact O-N 2.85Å; S632-N634 PolarHBondContact O-ND2 2.85Å
633E67.9Low68.4Low90 Ų9081 Ų8142%0.42142%0.422SS..THydrogen-bonded Turntrans-76.20.8-179-49-48.7110.700113.4C631 C635C631-E633 PolarHBondContact O-N 2.87Å; C631-E633 VanDerWaalsContact O-N 3.11Å; E633-C635 HydrophobicContact CB-CB 4.35Å; E633-C635 PolarHBondContact O-N 2.76Å
634N67.5Low66.9Low95 Ų9583.6 Ų83.651%0.50844%0.436SS..  trans48.126.9-173-72.6-75.2000113.9C631 S632 S636 V637C631-N634 WeakPolarHBondContact O-CA 3.41Å; C631-N634 PolarHBondContact O-N 2.86Å; S632-N634 PolarHBondContact O-N 2.85Å; S632-N634 PolarHBondContact O-ND2 2.85Å; N634-S636 PolarHBondContact O-N 3.16Å; N634-S636 VanDerWaalsContact O-N 3.13Å; N634-V637 PolarHBondContact O-N 2.77Å
635C72.3Confident65.5Low3 Ų388.1 Ų88.12%0.0245%0.45CS..THydrogen-bonded Turntrans-65.8-20.1-168.867.30000114.4F520 C618 C631 E633 Y643F520-C635 HydrophobicContact CB-CB 4Å; C618-C635 HydrophobicContact CB-CB 4.3Å; C631-C635 VanDerWaalsContact SG-SG 3.68Å; E633-C635 HydrophobicContact CB-CB 4.35Å; E633-C635 PolarHBondContact O-N 2.76Å; C635-Y643 HydrophobicContact CB-CD2 4.05Å; C635-Y643 HydrophobicContact CB-CE2 3.4Å
636S63.6Low64.1Low71 Ų7185.7 Ų85.750%0.49744%0.442SS..THydrogen-bonded Turntrans-74.6-24.6174.746.20000113.6N634N634-S636 PolarHBondContact O-N 3.16Å; N634-S636 VanDerWaalsContact O-N 3.13Å
637V60.4Low62.9Low110 Ų11085.2 Ų85.267%0.66745%0.445SS*.THydrogen-bonded Turntrans-92.4-15.8-176.7-161.30000111.8N634N634-V637 PolarHBondContact O-N 2.77Å
638L60.1Low61.5Low49 Ų4985.2 Ų85.226%0.25745%0.451SS..SBendtrans-89.3121-179.3-67.7170.5000110.9K642 Y643L638-K642 HydrophobicContact CD2-CB 4.31Å; L638-K642 HydrophobicContact CD2-CD 4.02Å; L638-Y643 HydrophobicContact CB-CD2 4.02Å; L638-Y643 HydrophobicContact CD1-CD2 3.74Å; L638-Y643 HydrophobicContact CD1-CE2 4.24Å
639T58.9Low60.7Low91 Ų9184.6 Ų84.656%0.55844%0.443SS*.  trans-58.7148.9172.6630000110.7T641 K642 Y643T639-T641 PolarHBondContact O-N 2.95Å; T639-K642 CarbonylContact O-C 3.57Å; T639-K642 WeakPolarHBondContact O-CA 3.33Å; T639-K642 WeakPolarHBondContact O-CB 3.36Å; T639-K642 PolarHBondContact O-N 2.73Å; T639-Y643 PolarHBondContact O-N 2.93Å
640K58.1Low60.1Low120 Ų12087.9 Ų87.952%0.52246%0.455SS..Hα-helixtrans-48.2-42.3-176-176.5163.8-176168.50113F520 Y643 T644F520-K640 HydrophobicContact CE2-CB 4.2Å; F520-K640 HydrophobicContact CE2-CG 3.95Å; F520-K640 HydrophobicContact CZ-CG 4.1Å; K640-Y643 PolarHBondContact O-N 2.82Å; K640-T644 PolarHBondContact O-N 3.45Å; K640-T644 PolarHBondContact O-OG1 3.44Å
641T56Low59.2Low120 Ų12089 Ų8974%0.73646%0.458SS*.Hα-helixtrans-66.8-38.3176.8-32.60000113.1T639 Y645T639-T641 PolarHBondContact O-N 2.95Å; T641-Y645 VanDerWaalsContact O-CB 3.27Å; T641-Y645 WeakPolarHBondContact O-CB 3.43Å; T641-Y645 PolarHBondContact O-N 2.81Å
642K57Low57.3Low109 Ų10993.2 Ų93.247%0.47449%0.488SS..Hα-helixtrans-67.5-45.8172.2-100.7-167.1174.1-177.20111.4L638 T639 T644 Y645 Y646L638-K642 HydrophobicContact CD2-CB 4.31Å; L638-K642 HydrophobicContact CD2-CD 4.02Å; T639-K642 CarbonylContact O-C 3.57Å; T639-K642 WeakPolarHBondContact O-CA 3.33Å; T639-K642 WeakPolarHBondContact O-CB 3.36Å; T639-K642 PolarHBondContact O-N 2.73Å; K642-T644 PolarHBondContact O-N 3.04Å; K642-Y645 WeakPolarHBondContact O-CB 3.37Å; K642-Y645 PolarHBondContact O-N 3.38Å; K642-Y645 VanDerWaalsContact O-N 3.1Å; K642-Y646 HydrophobicContact CB-CD2 4.36Å; K642-Y646 HydrophobicContact CD-CE2 4.15Å; K642-Y646 HydrophobicContact CG-CD2 4.36Å; K642-Y646 HydrophobicContact CG-CE2 4.05Å; K642-Y646 WeakPolarHBondContact O-CD2 3.29Å; K642-Y646 PolarHBondContact O-N 3.3Å
643Y64Low55.4Low6 Ų698.2 Ų98.22%0.02450%0.499CS..Hα-helixtrans-60.8-50.7-174.8-163.6-89.8000111.7F520 C618 C635 L638 T639 K640 Y645 Y646 C647F520-Y643 HydrophobicContact CB-CD1 4.41Å; F520-Y643 HydrophobicContact CB-CE1 4.34Å; F520-Y643 AromaticContact CD1-CD1 3.16Å; F520-Y643 HydrophobicContact CD1-CD1 3.16Å; F520-Y643 AromaticContact CD1-CE1 3.36Å; F520-Y643 HydrophobicContact CD1-CE1 3.36Å; F520-Y643 AromaticContact CD1-CG 3.88Å; F520-Y643 HydrophobicContact CD1-CG 3.88Å; F520-Y643 HydrophobicContact CD2-CD1 4.39Å; F520-Y643 HydrophobicContact CD2-CG 4.33Å; F520-Y643 AromaticContact CE1-CD1 3.3Å; F520-Y643 HydrophobicContact CE1-CD1 3.3Å; F520-Y643 AromaticContact CE1-CE1 3.86Å; F520-Y643 HydrophobicContact CE1-CE1 3.86Å; F520-Y643 HydrophobicContact CE1-CG 4.09Å; F520-Y643 AromaticContact CG-CD1 3.75Å; F520-Y643 HydrophobicContact CG-CD1 3.75Å; F520-Y643 HydrophobicContact CG-CD2 4.49Å; F520-Y643 HydrophobicContact CG-CE1 4.05Å; F520-Y643 AromaticContact CG-CG 3.99Å; F520-Y643 HydrophobicContact CG-CG 3.99Å; F520-Y643 HydrophobicContact CZ-CD1 4.01Å; F520-Y643 HydrophobicContact CZ-CG 4.43Å; C618-Y643 WeakPolarHBondContact CA-OH 3.29Å; C635-Y643 HydrophobicContact CB-CD2 4.05Å; C635-Y643 HydrophobicContact CB-CE2 3.4Å; L638-Y643 HydrophobicContact CB-CD2 4.02Å; L638-Y643 HydrophobicContact CD1-CD2 3.74Å; L638-Y643 HydrophobicContact CD1-CE2 4.24Å; T639-Y643 PolarHBondContact O-N 2.93Å; K640-Y643 PolarHBondContact O-N 2.82Å; Y643-Y645 VanDerWaalsContact C-N 3.25Å; Y643-Y645 PolarHBondContact O-N 2.88Å; Y643-Y646 PolarHBondContact O-N 2.9Å; Y643-C647 HydrophobicContact CD1-CB 4.38Å; Y643-C647 HydrophobicContact CE1-CB 4.06Å; Y643-C647 VanDerWaalsContact CZ-SG 3.5Å; Y643-C647 WeakPolarHBondContact O-CB 3.22Å; Y643-C647 PolarHBondContact O-N 3.48Å
644T60Low53.4Low61 Ų61105.2 Ų105.237%0.37452%0.522SS..Hα-helixtrans-61.4-32.9174.7-54.70000112.2K640 K642 G648K640-T644 PolarHBondContact O-N 3.45Å; K640-T644 PolarHBondContact O-OG1 3.44Å; K642-T644 PolarHBondContact O-N 3.04Å; T644-G648 WeakPolarHBondContact O-CA 3.43Å; T644-G648 PolarHBondContact O-N 2.95Å
645Y57Low51.6Low131 Ų131107.3 Ų107.351%0.51454%0.537SS..Hα-helixtrans-68.8-44.7176.8-174.5-87.3000113.5T641 K642 Y643 K649T641-Y645 VanDerWaalsContact O-CB 3.27Å; T641-Y645 WeakPolarHBondContact O-CB 3.43Å; T641-Y645 PolarHBondContact O-N 2.81Å; K642-Y645 WeakPolarHBondContact O-CB 3.37Å; K642-Y645 PolarHBondContact O-N 3.38Å; K642-Y645 VanDerWaalsContact O-N 3.1Å; Y643-Y645 VanDerWaalsContact C-N 3.25Å; Y643-Y645 PolarHBondContact O-N 2.88Å; Y645-K649 HydrophobicContact CD2-CD 4.34Å; Y645-K649 HydrophobicContact CE1-CD 4.41Å; Y645-K649 HydrophobicContact CE2-CD 4.05Å; Y645-K649 VanDerWaalsContact CE2-CE 3.44Å; Y645-K649 VanDerWaalsContact CZ-NZ 3.3Å; Y645-K649 WeakPolarHBondContact O-CB 3.13Å; Y645-K649 WeakPolarHBondContact O-CG 3.15Å; Y645-K649 PolarHBondContact OH-NZ 2.87Å
646Y55.8Low49.4Very low144 Ų144110.1 Ų110.157%0.56557%0.567SS**Hα-helixtrans-79.1-42.3-178.2-80.2-78.5000112.8K642 Y643K642-Y646 HydrophobicContact CB-CD2 4.36Å; K642-Y646 HydrophobicContact CD-CE2 4.15Å; K642-Y646 HydrophobicContact CG-CD2 4.36Å; K642-Y646 HydrophobicContact CG-CE2 4.05Å; K642-Y646 WeakPolarHBondContact O-CD2 3.29Å; K642-Y646 PolarHBondContact O-N 3.3Å; Y643-Y646 PolarHBondContact O-N 2.9Å
647C56.4Low47.8Very low63 Ų63118.3 Ų118.343%0.42659%0.587SS.*Hα-helixtrans-84.2-42.6-177.4-630000112.3Y643 K649Y643-C647 HydrophobicContact CD1-CB 4.38Å; Y643-C647 HydrophobicContact CE1-CB 4.06Å; Y643-C647 VanDerWaalsContact CZ-SG 3.5Å; Y643-C647 WeakPolarHBondContact O-CB 3.22Å; Y643-C647 PolarHBondContact O-N 3.48Å; C647-K649 PolarHBondContact O-N 2.88Å
648G50.4Low46.4Very low32 Ų32118.5 Ų118.533%0.3359%0.591SS.*Hα-helixtrans-69.3-34.2-17600000114.3T644 K650 K651T644-G648 WeakPolarHBondContact O-CA 3.43Å; T644-G648 PolarHBondContact O-N 2.95Å; G648-K650 PolarHBondContact O-N 2.91Å; G648-K650 VanDerWaalsContact O-N 3.09Å; G648-K651 PolarHBondContact O-N 3.07Å; G648-K651 VanDerWaalsContact O-N 3.09Å
649K42.5Very low45Very low118 Ų118122.1 Ų122.151%0.51362%0.618SS.*G310 helixtrans-66-12.8-177.2-82.6-169.4170.6-170.30115.1Y645 C647 K651Y645-K649 HydrophobicContact CD2-CD 4.34Å; Y645-K649 HydrophobicContact CE1-CD 4.41Å; Y645-K649 HydrophobicContact CE2-CD 4.05Å; Y645-K649 VanDerWaalsContact CE2-CE 3.44Å; Y645-K649 VanDerWaalsContact CZ-NZ 3.3Å; Y645-K649 WeakPolarHBondContact O-CB 3.13Å; Y645-K649 WeakPolarHBondContact O-CG 3.15Å; Y645-K649 PolarHBondContact OH-NZ 2.87Å; C647-K649 PolarHBondContact O-N 2.88Å; K649-K651 PolarHBondContact O-N 3.09Å
650K45.6Very low43.4Very low197 Ų197121.9 Ų121.986%0.85763%0.633SS**G310 helixtrans-67.3-16.8171.2-79.3-170.8175.6-178.50113.5G648G648-K650 PolarHBondContact O-N 2.91Å; G648-K650 VanDerWaalsContact O-N 3.09Å
651K45.3Very low41.8Very low169 Ų169119 Ų11974%0.73564%0.637SS**G310 helixtrans-109.710179-77.8-170173.4-176.80115.5G648 K649G648-K651 PolarHBondContact O-N 3.07Å; G648-K651 VanDerWaalsContact O-N 3.09Å; K649-K651 PolarHBondContact O-N 3.09Å
652S34.3Very low40.3Very low96 Ų96121.9 Ų121.967%0.67164%0.642SS**  trans-139.695.8178.3-161.10000113.8
653K29.5Very low39Very low187 Ų187122 Ų12281%0.81365%0.652SS**  trans-138.2105167.9-98.7-170174.6-178.70110.3
654R27.3Very low37.3Very low237 Ų237129.1 Ų129.189%0.89469%0.691SS**  trans70.3148.2177.1-51.5178.4-78.2-158.80.1112.5
655V29.9Very low36Very low139 Ų139133.9 Ų133.984%0.84271%0.713SS**  cis-121.8142.5-1.9-178.20000105.7
656G25.3Very low34.6Very low63 Ų63137 Ų13765%0.64973%0.732SS**  cis1031084200000108.2
657R30.9Very low33.2Very low242 Ų242133.8 Ų133.891%0.91374%0.743SS**  trans-101.4121.4-167.3-170.2-168.7-167.9-161.15.8112.4
658P29.7Very low31.7Very low114 Ų114134.3 Ų134.374%0.7476%0.759SS**  trans-73.8150.6168.4-16.832.2000112.8
659P31.4Very low30.9Very low126 Ų126138.5 Ų138.582%0.81878%0.778SS**  trans-109.5146.4179.338.3-31.1000114.8
660G25.1Very low30.3Very low85 Ų85140.6 Ų140.688%0.87679%0.787SS**  trans78.7159.2172.700000114.7
661G23.9Very low29.6Very low60 Ų60141.9 Ų141.962%0.61979%0.786SS**  cis-179.4174.5-5.400000111.5
662H26.1Very low28.9Very low180 Ų180145.7 Ų145.783%0.83380%0.796SS**  trans66.9125.8171.4-55.7-75.8000116.5
663T29.3Very low28.6Very low111 Ų111144.8 Ų144.868%0.68180%0.801SS**  cis97.4114.529.5630000114.8
664N28Very low28.8Very low157 Ų157147.7 Ų147.784%0.8481%0.807SS**  trans162.1124.3144.8-80.1-8.1000107.2
665L32.4Very low29Very low161 Ų161148 Ų14884%0.84381%0.809SS**  cis8991.43.8-152.7164.4000117.9
666E27.5Very low29Very low196 Ų196151.1 Ų151.192%0.91681%0.805SS**  trans-164150.3150.7-107.1176.6-178.300107.7
667G26.8Very low29.2Very low76 Ų76155.4 Ų155.478%0.78481%0.806SS**  cis-121.4177.3-34.400000108.6
668G25.4Very low29Very low74 Ų74153.5 Ų153.576%0.76380%0.799SS**  cis105.6127.236.600000109.1
669V33.6Very low29Very low121 Ų121157.6 Ų157.673%0.73380%0.8SS**  cis-150.41108.8168.70000113
670K29.9Very low28.9Very low161 Ų161159.9 Ų159.970%0.780%0.796SS**  53.9120.3124.5-53.6171.2-158.8153.60124.1
671R30.9Very low29Very low224 Ų224163.2 Ų163.285%0.84579%0.789SS**  72161.5116.4-63.6175.4-177.2-179.41.3118.6
672R30.2Very low29.1Very low250 Ų250167.9 Ų167.994%0.94380%0.799SS**  cis-135.5165.222.2-65.7175.9172.6-155.90.9111.9
673G28.3Very low29.3Very low76 Ų76168.5 Ų168.578%0.78480%0.8SS**  cis-179.2166.2-2.300000114.2
674R33Very low29.2Very low248 Ų248170.2 Ų170.294%0.93681%0.81SS**  trans-102144179.1-71.5172.3163.6172.3-6.2112.3
675R30.4Very low29.2Very low245 Ų245170.2 Ų170.293%0.92580%0.804SS**  trans-166.7167.1134.8-114.4169.3176.9-179-1.9113.3
676R31.3Very low29.1Very low204 Ų204171 Ų17177%0.7780%0.801SS**  -171.1141.2-66.4-158.9-176.9-171.6-1784.9110.5
677K28.2Very low29.1Very low153 Ų153171.7 Ų171.767%0.66580%0.801SS**  trans74.7130.4147.8-102-179.8177-175.50122
678R28.2Very low29.2Very low202 Ų202178.7 Ų178.776%0.76280%0.804SS**  trans75.8107.9132.3-88.8-173.9168.2-169.1-3.1123
679R28.1Very low29.3Very low200 Ų200186.3 Ų186.376%0.75581%0.81SS**  68.1134.2102-154.5-159.5-167.2-1716.1120.6
680K29.5Very low29.2Very low173 Ų173185 Ų18575%0.75281%0.806SS**  trans77.4149.3166.8-72.9-156.6176.1-170.60115
681Q27.7Very low29.6Very low155 Ų155182.8 Ų182.872%0.72481%0.811SS**  cis-168.7-177.4-17.9-112.3-77.39.800108
682L27Very low29.6Very low159 Ų159176.8 Ų176.883%0.83281%0.809SS**  trans98.6135.2159.2-61.8169.2000120.2
683F28.7Very low29.7Very low192 Ų192169.9 Ų169.984%0.84280%0.799SS**  trans-60.8162.7167.7-88.3-133.8000113.8
684V27.9Very low30.1Very low148 Ų148171.8 Ų171.890%0.89780%0.795SS**  -169.8171.6106.3147.30000109.8
685H28.9Very low29.9Very low156 Ų156166.3 Ų166.372%0.72278%0.784SS**  trans-123.5143.1-151.3-164.266.8000112.6
686K29.3Very low29.8Very low177 Ų177161.5 Ų161.577%0.7778%0.777SS**  trans66.9119.5140.4179.1-176.7-174.9172.20121.3
687K27.1Very low29.8Very low212 Ų212157.8 Ų157.892%0.92278%0.777SS**  -160.9177.1126-132.3169179.8173.60114.5
688R29.4Very low31.2Very low223 Ų223156.3 Ų156.384%0.84278%0.783SS**  trans-141.6142.3-160.6160-165.3176.2-131.13.1111.8
689R27.9Very low31.3Very low234 Ų234151.9 Ų151.988%0.88379%0.79SS**  trans-177.2135.6150.6-100.8168.5-179.9-160.4-2.7107.9
690S32Very low31.2Very low94 Ų94146 Ų14666%0.65779%0.791SS**  77.7137.867.5-56.90000113.1
691S37.1Very low31.2Very low114 Ų114143.4 Ų143.480%0.79780%0.795SS**  cis-178.9179-0.6410000112.3
692A31.6Very low32.2Very low97 Ų97140.8 Ų140.880%0.80279%0.791SS**  trans83.2152.5171.900000115.8
693S31.8Very low32.3Very low105 Ų105142.3 Ų142.373%0.73479%0.794SS**  cis-180167.51.4350000108.8
694V36.3Very low32.2Very low116 Ų116136 Ų13670%0.70378%0.784SS**  cis-175.3171.6-12-83.30000106.8
695D28.5Very low32.3Very low134 Ų134135.2 Ų135.272%0.71779%0.785SS**  cis-169.9170.6-30.4-82.9-13.5000109.3
696N30.3Very low32.1Very low143 Ų143130.8 Ų130.877%0.76578%0.781SS**  trans76140.1153.9-67-36.2000123.4
697T30.8Very low32.1Very low126 Ų126130.8 Ų130.877%0.77378%0.784SS**  cis-166.6177.7-19.112.90000110.5
698P57.1Low32.2Very low123 Ų123127.9 Ų127.980%0.79977%0.773SS**  trans-126.2166.4-15545.1-34.4000120.5
699A29.8Very low32.3Very low108 Ų108125.3 Ų125.389%0.89377%0.771SS**  trans-169.8148.9154.200000111.8
700G26.6Very low32.4Very low76 Ų76120.3 Ų120.378%0.78476%0.762SS**  cis-160.7-169.60.500000113
701S29.6Very low32.5Very low119 Ų119121.9 Ų121.983%0.83276%0.762SS**  trans-114.5-165.8-163.9-18.30000113.9
702P49.4Very low32.2Very low101 Ų101122.1 Ų122.166%0.65675%0.754SS**  cis-139.4-165.9-31.139.6-19.7000115.1
703Q29.1Very low32.4Very low191 Ų191125.2 Ų125.289%0.89375%0.752SS**  trans71.7153.9160.8-66.6167.7-55.500118.4
704G25.5Very low32.4Very low60 Ų60126.9 Ų126.962%0.61975%0.753SS**  cis-168148.3-5.600000110.6
705S29.4Very low32.1Very low131 Ų131127.7 Ų127.792%0.91675%0.753SS**  88135.898.562.70000116.8
706G25.9Very low32.2Very low62 Ų62125.4 Ų125.464%0.63975%0.747SS**  trans106.6129.9-178.300000112.2
707E28.1Very low32.2Very low178 Ų178126.3 Ų126.383%0.83275%0.752SS**  cis66.9131.623.7-49.9164173.600112.3
708E29.9Very low32.2Very low151 Ų151125.7 Ų125.771%0.70675%0.752SS**  cis-163.7171-5.6-126.9162.7-168.100109.5
709E31.1Very low30.8Very low169 Ų169129.2 Ų129.279%0.7976%0.758SS**  trans59.1161.4152.2-70.4179.6173.700120.1
710D30.1Very low30.7Very low129 Ų129131.9 Ų131.969%0.6976%0.758SS**  cis-169.4176.2-32.3-165.311.5000107.7
711L34.4Very low30.8Very low127 Ų127134.6 Ų134.667%0.66576%0.759SS**  trans69.1154.6163.6-44.9-173.2000117.5
712D31.8Very low30.7Very low119 Ų119131.6 Ų131.664%0.63675%0.747SS**  cis-159.7164.1-19.2-110.9-21.9000112.5
713E35.5Very low29.8Very low162 Ų162132.1 Ų132.176%0.75775%0.753SS**  trans53.5141.5145.8-66.4-177.6149.200124.7
714D30.2Very low29.8Very low139 Ų139130.7 Ų130.774%0.74375%0.746SS**  trans71.997.7140.5-7610.7000125.1
715D30Very low30Very low134 Ų134133.7 Ų133.772%0.71775%0.748SS**  101.3157.395.9-163.844.1000121.1
716S32.2Very low29.9Very low85 Ų85134.6 Ų134.659%0.59474%0.737SS**  trans72.876.1156.6-81.90000119.4
717L28.7Very low30Very low163 Ų163138 Ų13885%0.85374%0.741SS**  40106.6112.3-60.2172.2000119.5
718S31.4Very low30.1Very low113 Ų113136.1 Ų136.179%0.7974%0.736SS**  -166.5123.4127.71.30000106.9
719E28.7Very low30.2Very low197 Ų197134.7 Ų134.792%0.92173%0.733SS**  52.994.474.5-65.3-152.5144.800113.6
720D27.4Very low30.2Very low164 Ų164134.5 Ų134.588%0.87773%0.732SS**  trans-142.1157.5132.4-155.9-0.5000110.2
721T29Very low30Very low132 Ų132134.7 Ų134.781%0.8173%0.733SS**  trans-106.5157.1-174.6-680000110.9
722G27.2Very low29.7Very low56 Ų56134.8 Ų134.858%0.57773%0.734SS**  trans108116.8171.200000111.7
723S29.7Very low29.5Very low113 Ų113133.4 Ų133.479%0.7973%0.734SS**  47.8115.755.587.90000110.8
724E28.8Very low29.2Very low161 Ų161133.4 Ų133.475%0.75273%0.734SS**  -158.2151.474.4-97.2-164.8140.200114.8
725L29.7Very low29Very low123 Ų123134.6 Ų134.664%0.64474%0.735SS**  trans66.1119.1139.4-63.4173.4000118.9
726Q28.8Very low29Very low150 Ų150133.2 Ų133.270%0.70174%0.736SS**  8286.888.7-157.691.669.100109.2
727D27.7Very low28.8Very low134 Ų134134.6 Ų134.672%0.71774%0.74SS**  57.396.675.3-169.536.3000111.5
728D30.1Very low28.6Very low137 Ų137133.7 Ų133.773%0.73373%0.732SS**  trans-160.7147145.6-126.8-23.2000115.9
729L30.7Very low28.4Very low121 Ų121136 Ų13663%0.63473%0.728SS**  trans64.1117.9154.9-57.4-178.9000123.3
730Q31.4Very low28.3Very low165 Ų165131.8 Ų131.877%0.77172%0.72SS**  75.8135.5123.7-73.3177.5-37.200119.8
731D26.2Very low28.5Very low134 Ų134132.9 Ų132.972%0.71772%0.72SS**  cis-178.3-179.5-1-161.4-8.7000105.7
732D27.6Very low29.2Very low128 Ų128132.7 Ų132.768%0.68472%0.721SS**  trans49.9103.7160.6-102.3-30.8000120.7
733S29.4Very low29.4Very low91 Ų91134 Ų13464%0.63673%0.726SS**  23.7131.4124.874.40000119.3
734E27.7Very low29.7Very low162 Ų162135.4 Ų135.476%0.75773%0.73SS**  -159.3151.359.9-78.6-163.3111.300115
735Q27.3Very low30.5Very low164 Ų164133.7 Ų133.777%0.76673%0.733SS**  trans-5.2136.6138.2-58.8170.887.300115.5
736S28.8Very low30.7Very low104 Ų104133.3 Ų133.373%0.72774%0.74SS**  cis177.817424.9400000107.6
737V28.7Very low31Very low114 Ų114132.2 Ų132.269%0.69175%0.746SS**  178.1139.681160.30000109.1
738E25.3Very low31.4Very low144 Ų144131.2 Ų131.267%0.67375%0.75SS**  trans14.6152.5145.7-51.8-170.6128.200122.7
739K26.3Very low32.3Very low163 Ų163130.5 Ų130.571%0.70975%0.753SS**  cis-171.1150.4-7.2-110.6169.9-178.4161.50112.4
740S25.8Very low33.2Very low107 Ų107130.1 Ų130.175%0.74876%0.758SS**  trans46.3117.5135.9-53.20000124.9
741Q32.5Very low34Very low188 Ų188128 Ų12888%0.87976%0.758SS**  trans-6.7160.4130.6-66.6179-2.800120.2
742P44.4Very low34.3Very low127 Ų127127.4 Ų127.483%0.82576%0.759SS**  cis-147.9-158.14143.5-20.9000117.9
743A31.1Very low34.8Very low85 Ų85127.3 Ų127.370%0.70277%0.766SS**  trans-148.8-157.4-170.900000115.6
744T35.7Very low34.7Very low141 Ų141134 Ų13487%0.86578%0.777SS**  trans86.1160.7-178.374.30000116.4
745P45.3Very low35.4Very low125 Ų125131.6 Ų131.681%0.81278%0.776SS**  cis-140.7-165.815.545.3-25.2000118.1
746S33.8Very low35.4Very low115 Ų115129.5 Ų129.580%0.80478%0.78SS**  trans-111.5172.7-173.6-26.50000116
747P35.9Very low35.3Very low127 Ų127134.7 Ų134.783%0.82578%0.783SS**  trans-138173.5155.639.8-24.8000116.7
748S35.4Very low35.2Very low113 Ų113139 Ų13979%0.7979%0.787SS**  trans-153.5153.7175.4-35.40000111.3
749P48.9Very low35.2Very low122 Ų122142.5 Ų142.579%0.79279%0.794SS**  trans-154.9-158.8141.236.1-13.6000114.1
750P50.3Low35.2Very low114 Ų114144.8 Ų144.874%0.7480%0.798SS**  -127.2-152.5-73.544.3-26.9000111
751P47.2Very low35.5Very low120 Ų120148.6 Ų148.678%0.77980%0.801SS**  cis-130.6-159.4-8.240.5-19.7000115.5
752T33.3Very low36Very low121 Ų121144.4 Ų144.474%0.74279%0.79SS**  trans-135.7178-166.364.40000113.6
753P37.6Very low35.1Very low127 Ų127150.3 Ų150.383%0.82580%0.796SS**  -142-178.5111.237.7-23.5000116.7
754R27.6Very low35.1Very low230 Ų230151.3 Ų151.387%0.86880%0.798SS**  trans-119.5-157.4-179.9-55.3179.5170.9-170.5-3.5109.1
755P42.1Very low35Very low112 Ų112150.7 Ų150.773%0.72780%0.797SS**  cis-142176.6-11.642.4-24000117.2
756S27.1Very low34.1Very low121 Ų121149.3 Ų149.385%0.84679%0.79SS**  161.7-163.5116.470.40000114.9
757R26.5Very low34Very low212 Ų212153.8 Ų153.880%0.880%0.795SS**  -162.3149.4-125.1-139.9-179.3-176.7178.12.2116.2
758R27.5Very low33.7Very low206 Ų206152.2 Ų152.278%0.77779%0.787SS**  trans74.2161.9166.7-55.7171.9165.2173.1-5.7114
759R25.5Very low33.5Very low217 Ų217154.5 Ų154.582%0.81979%0.791SS**  cis-150.9-168.38.9-138.7168.4-176.5172.8-0107.5
760R25.3Very low32.6Very low211 Ų211156.1 Ų156.180%0.79679%0.793SS**  cis-157.9169.52.5-157-144.4160.3127.61.5110.6
761K31.4Very low31.7Very low186 Ų186157.9 Ų157.981%0.80979%0.791SS**  trans-148.8-174.8163.5-84.7-163.7178.2-176.20108.5
762P43.6Very low31.2Very low101 Ų101158.7 Ų158.766%0.65679%0.789SS**  cis-130.8-168.3-3.445.1-29.4000114.2
763R26.8Very low31Very low251 Ų251161.5 Ų161.595%0.94779%0.793SS**  trans-154.3157.2131.1-106.5173.9-169.7-154.70.3112
764S29.6Very low30.7Very low106 Ų106160.9 Ų160.974%0.74179%0.789SS**  trans-160.3155.6-169.9-49.40000111.8
765P34.5Very low30.8Very low128 Ų128155.5 Ų155.583%0.83178%0.784SS**  -141.4178.2126.521.80.1000112.8
766S26.4Very low30.2Very low96 Ų96155.6 Ų155.667%0.67179%0.787SS**  cis179.9100.8-31.9174.60000111.8
767F31.6Very low30.4Very low209 Ų209155.5 Ų155.592%0.91778%0.783SS**  trans63.2158.4166.3-70-89.9000117.7
768S29.6Very low30.5Very low93 Ų93155.1 Ų155.165%0.6579%0.788SS**  cis-150.81520.1470000113.4
769D31.1Very low30.5Very low162 Ų162151.4 Ų151.487%0.86679%0.788SS**  trans65.5144.6148.6-71-32.4000125.8
770D29.3Very low30.8Very low156 Ų156146.4 Ų146.483%0.83479%0.786SS**  trans72.9155.2156.6-120.8-37.2000123.4
771E31.5Very low30.9Very low150 Ų150144.4 Ų144.470%0.70178%0.783SS**  trans61.6136.5171.8-85.7-75.848.400122.8H773E771-H773 PolarHBondContact O-N 3.49Å
772N36.6Very low30.8Very low138 Ų138142.1 Ų142.174%0.73879%0.785SS**  trans-57.8116.1-175.8-69-95.5000114.2
773H30Very low30.1Very low179 Ų179142.6 Ų142.683%0.82978%0.778SS**  trans-151.7122.4152.7-100.380.2000112.2E771E771-H773 PolarHBondContact O-N 3.49Å
774P30.9Very low30.5Very low115 Ų115133.7 Ų133.775%0.74775%0.753SS**PPolyproline II helixtrans-65.6142.2159.2-16.431.4000110.1
775P30.2Very low30.9Very low117 Ų117134.2 Ų134.276%0.7675%0.754SS**PPolyproline II helixtrans-68.7146-178.129.3-35.3000111.3P777P775-P777 VanDerWaalsContact O-CD 3.27Å; P775-P777 WeakPolarHBondContact O-CD 3.48Å
776S29.6Very low31.3Very low114 Ų114134.5 Ų134.580%0.79774%0.744SS**PPolyproline II helixtrans-60.7119172.932.20000111.1
777P30.6Very low32.4Very low118 Ų118137.7 Ų137.777%0.76675%0.746SS**PPolyproline II helixtrans-61.9150.5162.7-1631.3000109.1P775P775-P777 VanDerWaalsContact O-CD 3.27Å; P775-P777 WeakPolarHBondContact O-CD 3.48Å
778K28.1Very low34.2Very low204 Ų204129.6 Ų129.689%0.88771%0.712SS**PPolyproline II helixtrans-57.8144.2171.6-67179.7179.5-179.80109.6S780K778-S780 PolarHBondContact O-N 2.88Å
779T28.6Very low36.1Very low129 Ų129129.8 Ų129.879%0.79171%0.712SS**  trans-56.599-178.148.40000112.6K781T779-K781 VanDerWaalsContact C-N 3.25Å; T779-K781 PolarHBondContact O-N 2.72Å; T779-K781 VanDerWaalsContact O-N 3.08Å
780S32.1Very low38.3Very low111 Ų111122.6 Ų122.678%0.77667%0.673SS**  trans-72.786.6152.6560000107.6K778 V782K778-S780 PolarHBondContact O-N 2.88Å; S780-V782 PolarHBondContact O-N 2.8Å
781K27Very low40.5Very low169 Ų169123 Ų12374%0.73568%0.676SS**  trans-59.5132.1164.2-70.1-178.8177.3-178.60107.5T779T779-K781 VanDerWaalsContact C-N 3.25Å; T779-K781 PolarHBondContact O-N 2.72Å; T779-K781 VanDerWaalsContact O-N 3.08Å
782V29.8Very low42.6Very low139 Ų139119.1 Ų119.184%0.84266%0.662SS**  trans-112.4125.5157.7179.60000104.9S780S780-V782 PolarHBondContact O-N 2.8Å
783E28.9Very low44.3Very low111 Ų111113 Ų11352%0.51963%0.63SS.*PPolyproline II helixtrans-89.5159.5-173.2-64.2-168.3150.700111.2Q786E783-Q786 PolarHBondContact OE2-NE2 2.88Å
784P33.5Very low46.6Very low63 Ų63104.5 Ų104.541%0.40959%0.591SS.*PPolyproline II helixtrans-56.3156.216425.4-35.3000111.3Q786P784-Q786 PolarHBondContact O-N 3.44Å
785P38Very low48.1Very low117 Ų117102.8 Ų102.876%0.7658%0.575SS**PPolyproline II helixtrans-59.3116.1175.126-33.9000109.7K787P785-K787 PolarHBondContact O-N 2.76Å
786Q43.2Very low50Low135 Ų135104 Ų10463%0.63157%0.571SS**PPolyproline II helixtrans-67.5127.7-172.5-65.7172.3-10.400110.5E783 P784 L788 R856E783-Q786 PolarHBondContact OE2-NE2 2.88Å; P784-Q786 PolarHBondContact O-N 3.44Å; Q786-L788 PolarHBondContact O-N 3Å; Q786-R856 PolarHBondContact O-NH2 3.05Å
787K50.6Low52.7Low163 Ų16399.6 Ų99.671%0.70954%0.537SS*.PPolyproline II helixtrans-55132.6154.9-98.3-155.2170.5-153.20106.9P785 C789P785-K787 PolarHBondContact O-N 2.76Å; K787-C789 PolarHBondContact O-N 3.28Å
788L68.8Low55.3Low39 Ų3996.5 Ų96.520%0.20452%0.518CS..  trans-73.698.1177-175.359.3000108.7Q786 L790 F805 R856 V857 A860 Q864Q786-L788 PolarHBondContact O-N 3Å; L788-L790 HydrophobicContact CD1-CD2 4.37Å; L788-L790 HydrophobicContact CD2-CD2 3.97Å; L788-L790 HydrophobicContact CG-CD2 3.81Å; L788-F805 HydrophobicContact CD1-CE2 3.8Å; L788-F805 HydrophobicContact CD2-CE2 3.8Å; L788-F805 HydrophobicContact CD2-CZ 3.82Å; L788-F805 HydrophobicContact CG-CE2 4.47Å; L788-R856 HydrophobicContact CD2-CB 4.32Å; L788-V857 HydrophobicContact CD2-CB 4.5Å; L788-V857 HydrophobicContact CD2-CG2 3.69Å; L788-A860 HydrophobicContact CB-CB 4.28Å; L788-A860 HydrophobicContact CG-CB 4.37Å; L788-A860 VanDerWaalsContact O-CB 3.25Å; L788-A860 WeakPolarHBondContact O-CB 3.27Å; L788-Q864 PolarHBondContact O-NE2 2.92Å
789C69.8Low58Low97 Ų9787.9 Ų87.966%0.65548%0.482SS*.  trans-80.2140.7164-145.30000107.2K787 Q864K787-C789 PolarHBondContact O-N 3.28Å; C789-Q864 PolarHBondContact SG-OE1 3.32Å; C789-Q864 VanDerWaalsContact SG-OE1 3.38Å
790L78.2Confident60.9Low10 Ų1085.2 Ų85.25%0.05247%0.469CS..  trans-116.2122.9-178.8-55.4164.2000106.5L788 T792 P794 W797 V857 A860 F861 F865L788-L790 HydrophobicContact CD1-CD2 4.37Å; L788-L790 HydrophobicContact CD2-CD2 3.97Å; L788-L790 HydrophobicContact CG-CD2 3.81Å; L790-T792 PolarHBondContact O-N 3.14Å; L790-P794 HydrophobicContact CD1-CG 3.62Å; L790-P794 HydrophobicContact CD2-CG 4.4Å; L790-P794 HydrophobicContact CG-CG 4.5Å; L790-W797 HydrophobicContact CB-CZ2 4.12Å; L790-W797 HydrophobicContact CD2-CH2 3.49Å; L790-W797 VanDerWaalsContact CD2-CH2 3.49Å; L790-W797 HydrophobicContact CD2-CZ2 3.48Å; L790-W797 VanDerWaalsContact CD2-CZ2 3.48Å; L790-W797 HydrophobicContact CG-CZ2 4.34Å; L790-V857 HydrophobicContact CD2-CG1 4.38Å; L790-A860 HydrophobicContact CD1-CB 3.44Å; L790-A860 VanDerWaalsContact CD1-CB 3.44Å; L790-A860 HydrophobicContact CD2-CB 4.28Å; L790-A860 HydrophobicContact CG-CB 3.8Å; L790-F861 HydrophobicContact CD1-CB 4.4Å; L790-F865 HydrophobicContact CB-CE2 3.99Å; L790-F865 HydrophobicContact CB-CZ 4.49Å; L790-F865 HydrophobicContact CD1-CE2 4.18Å
791D74.3Confident63.6Low166 Ų16682 Ų8289%0.88844%0.443SS*.SBendtrans-70.8-21.7-173-64.2-43.8000112.9
792T75.1Confident66.6Low67 Ų6774 Ų7441%0.41141%0.408SS..SBendtrans-143.3165.5174.549.70000109.5L790 W797 F865L790-T792 PolarHBondContact O-N 3.14Å; T792-W797 PolarHBondContact O-NE1 2.81Å; T792-W797 PolarHBondContact OG1-NE1 2.63Å; T792-F865 WeakPolarHBondContact O-CZ 3.47Å
793S73.1Confident69.6Low10 Ų1067.6 Ų67.67%0.0737%0.37CS..  trans-65.2133.8177.4-178.30000110.4L795 E796 W797S793-L795 PolarHBondContact O-N 2.78Å; S793-L795 VanDerWaalsContact O-N 3.15Å; S793-L795 PolarHBondContact OG-N 2.86Å; S793-E796 PolarHBondContact N-OE2 3.06Å; S793-E796 WeakPolarHBondContact O-CA 3.39Å; S793-E796 WeakPolarHBondContact O-CB 3.5Å; S793-E796 PolarHBondContact O-N 3.05Å; S793-W797 PolarHBondContact O-N 2.81Å
794P77.8Confident72.7Confident0 Ų069.1 Ų69.10%037%0.37CS..G310 helixtrans-60.2-21.6173.2-26.437000113.6L790 E796 W797 G825 Q826 L829 V857 F861L790-P794 HydrophobicContact CD1-CG 3.62Å; L790-P794 HydrophobicContact CD2-CG 4.4Å; L790-P794 HydrophobicContact CG-CG 4.5Å; P794-E796 PolarHBondContact O-N 2.79Å; P794-W797 HydrophobicContact CB-CD2 4.14Å; P794-W797 HydrophobicContact CB-CE3 4.33Å; P794-W797 HydrophobicContact CB-CG 4.43Å; P794-W797 HydrophobicContact CG-CD2 4.37Å; P794-W797 HydrophobicContact CG-CZ2 4.23Å; P794-W797 PolarHBondContact O-N 3.3Å; P794-G825 CarbonylContact O-C 3.54Å; P794-G825 WeakPolarHBondContact O-CA 3.42Å; P794-Q826 PolarHBondContact O-N 3.42Å; P794-L829 HydrophobicContact CB-CD1 3.85Å; P794-L829 HydrophobicContact CB-CG 4.04Å; P794-V857 HydrophobicContact CB-CG1 4.01Å; P794-V857 HydrophobicContact CG-CG1 3.68Å; P794-F861 HydrophobicContact CG-CB 4.17Å
795L63Low75.5Confident80 Ų8067.1 Ų67.142%0.41936%0.355SS..G310 helixtrans-64.4-20.1170.4-56.5-178.4000113.2S793 Q826 L829 F861S793-L795 PolarHBondContact O-N 2.78Å; S793-L795 VanDerWaalsContact O-N 3.15Å; S793-L795 PolarHBondContact OG-N 2.86Å; L795-Q826 HydrophobicContact CB-CG 4.26Å; L795-Q826 HydrophobicContact CD2-CG 3.88Å; L795-Q826 PolarHBondContact O-NE2 3.48Å; L795-L829 HydrophobicContact CD2-CD1 3.84Å; L795-F861 HydrophobicContact CD1-CE2 3.71Å; L795-F861 HydrophobicContact CD1-CZ 3.64Å; L795-F861 HydrophobicContact CD2-CE2 4.48Å; L795-F861 HydrophobicContact CD2-CZ 4.27Å; L795-F861 HydrophobicContact CG-CD2 4.49Å; L795-F861 HydrophobicContact CG-CE2 3.72Å; L795-F861 HydrophobicContact CG-CZ 3.9Å
796E70.3Confident78.1Confident142 Ų14261.5 Ų61.566%0.66432%0.319SS*.G310 helixtrans-103.6-3178.6-55.8171.7140.700112.8S793 P794 S798S793-E796 PolarHBondContact N-OE2 3.06Å; S793-E796 WeakPolarHBondContact O-CA 3.39Å; S793-E796 WeakPolarHBondContact O-CB 3.5Å; S793-E796 PolarHBondContact O-N 3.05Å; P794-E796 PolarHBondContact O-N 2.79Å; E796-S798 PolarHBondContact O-N 2.83Å
797W86.6Confident80.4Confident21 Ų2162 Ų628%0.0832%0.315CS..  trans-76.1123.4-177.9-74.613.5000110.8L790 T792 S793 P794 D801 V802 F805 G825 L828 V857L790-W797 HydrophobicContact CB-CZ2 4.12Å; L790-W797 HydrophobicContact CD2-CH2 3.49Å; L790-W797 VanDerWaalsContact CD2-CH2 3.49Å; L790-W797 HydrophobicContact CD2-CZ2 3.48Å; L790-W797 VanDerWaalsContact CD2-CZ2 3.48Å; L790-W797 HydrophobicContact CG-CZ2 4.34Å; T792-W797 PolarHBondContact O-NE1 2.81Å; T792-W797 PolarHBondContact OG1-NE1 2.63Å; S793-W797 PolarHBondContact O-N 2.81Å; P794-W797 HydrophobicContact CB-CD2 4.14Å; P794-W797 HydrophobicContact CB-CE3 4.33Å; P794-W797 HydrophobicContact CB-CG 4.43Å; P794-W797 HydrophobicContact CG-CD2 4.37Å; P794-W797 HydrophobicContact CG-CZ2 4.23Å; P794-W797 PolarHBondContact O-N 3.3Å; W797-D801 HydrophobicContact CB-CB 3.97Å; W797-D801 HydrophobicContact CG-CB 4.14Å; W797-V802 HydrophobicContact CB-CG2 4.41Å; W797-V802 HydrophobicContact CE3-CG2 3.94Å; W797-F805 HydrophobicContact CH2-CB 4.18Å; W797-F805 HydrophobicContact CH2-CD2 4.24Å; W797-F805 HydrophobicContact CH2-CG 4.05Å; W797-F805 HydrophobicContact CZ3-CB 3.84Å; W797-F805 HydrophobicContact CZ3-CD1 4.05Å; W797-F805 HydrophobicContact CZ3-CD2 4.49Å; W797-F805 AromaticContact CZ3-CG 3.85Å; W797-F805 HydrophobicContact CZ3-CG 3.85Å; W797-G825 PolarHBondContact O-N 2.84Å; W797-L828 HydrophobicContact CE3-CD2 4.24Å; W797-L828 HydrophobicContact CZ3-CD2 3.9Å; W797-V857 HydrophobicContact CZ3-CG1 4.44Å
798S84.6Confident82.2Confident53 Ų5359.4 Ų59.437%0.37131%0.313SS..  trans-69.1164.6167.774.80000111.4E796 S800 D801 V802E796-S798 PolarHBondContact O-N 2.83Å; S798-S800 PolarHBondContact O-N 3.36Å; S798-S800 VanDerWaalsContact O-N 3.13Å; S798-S800 PolarHBondContact OG-N 3.33Å; S798-D801 VanDerWaalsContact CB-OD2 3.31Å; S798-D801 WeakPolarHBondContact CB-OD2 3.44Å; S798-D801 PolarHBondContact N-OD2 2.98Å; S798-D801 WeakPolarHBondContact O-CA 3.33Å; S798-D801 WeakPolarHBondContact O-CB 3.44Å; S798-D801 PolarHBondContact O-N 2.79Å; S798-D801 PolarHBondContact OG-N 3.25Å; S798-D801 PolarHBondContact OG-OD2 3.34Å; S798-V802 PolarHBondContact O-N 3.13Å
799V85.6Confident83.1Confident24 Ų2458.4 Ų58.415%0.14531%0.309CS..Hα-helixtrans-40.4-45.4162.6-1720000112.4D801 V802 V803 L819 E822 D824V799-D801 PolarHBondContact O-N 2.96Å; V799-V802 PolarHBondContact O-N 3.22Å; V799-V803 HydrophobicContact CG1-CG2 4.24Å; V799-V803 VanDerWaalsContact O-CB 3.26Å; V799-V803 WeakPolarHBondContact O-CB 3.45Å; V799-V803 WeakPolarHBondContact O-CG2 3.43Å; V799-V803 PolarHBondContact O-N 2.61Å; V799-L819 HydrophobicContact CG1-CD1 4.27Å; V799-E822 HydrophobicContact CB-CB 4.32Å; V799-E822 HydrophobicContact CG1-CB 3.68Å; V799-E822 HydrophobicContact CG1-CG 3.92Å; V799-E822 HydrophobicContact CG2-CB 3.68Å; V799-E822 HydrophobicContact CG2-CG 4.46Å; V799-D824 HydrophobicContact CG2-CB 4.33Å
800S89.3Confident83.8Confident73 Ų7358.2 Ų58.251%0.5130%0.301SS..Hα-helixtrans-70.3-18.4-178.4-76.80000113.4S798 R804S798-S800 PolarHBondContact O-N 3.36Å; S798-S800 VanDerWaalsContact O-N 3.13Å; S798-S800 PolarHBondContact OG-N 3.33Å; S800-R804 WeakPolarHBondContact O-CB 3.33Å; S800-R804 PolarHBondContact O-NH2 2.97Å
801D88.9Confident84.2Confident43 Ų4358.1 Ų58.123%0.2330%0.301CS..Hα-helixtrans-88.7-41.9174.9-53.9-57.4000110.8W797 S798 V799 R804 F805W797-D801 HydrophobicContact CB-CB 3.97Å; W797-D801 HydrophobicContact CG-CB 4.14Å; S798-D801 VanDerWaalsContact CB-OD2 3.31Å; S798-D801 WeakPolarHBondContact CB-OD2 3.44Å; S798-D801 PolarHBondContact N-OD2 2.98Å; S798-D801 WeakPolarHBondContact O-CA 3.33Å; S798-D801 WeakPolarHBondContact O-CB 3.44Å; S798-D801 PolarHBondContact O-N 2.79Å; S798-D801 PolarHBondContact OG-N 3.25Å; S798-D801 PolarHBondContact OG-OD2 3.34Å; V799-D801 PolarHBondContact O-N 2.96Å; D801-R804 CarbonylContact O-C 3.52Å; D801-R804 WeakPolarHBondContact O-CB 3.26Å; D801-R804 PolarHBondContact O-N 2.98Å; D801-R804 IonicContact OD1-CZ 2.81Å; D801-R804 IonicContact OD1-NH1 3.68Å; D801-R804 PolarHBondContact OD1-NH1 3.23Å; D801-R804 IonicContact OD1-NH2 3.84Å; D801-R804 PolarHBondContact OD1-NH2 2.71Å; D801-F805 PolarHBondContact O-N 3.12Å
802V90.3Very high84.9Confident0 Ų051.9 Ų51.90%027%0.273CS..Hα-helixtrans-61.2-50171.2169.90000111.8W797 S798 V799 R804 F805 I806 F818 I823 D824 L828W797-V802 HydrophobicContact CB-CG2 4.41Å; W797-V802 HydrophobicContact CE3-CG2 3.94Å; S798-V802 PolarHBondContact O-N 3.13Å; V799-V802 PolarHBondContact O-N 3.22Å; V802-R804 PolarHBondContact O-N 3.04Å; V802-F805 CarbonylContact O-C 3.46Å; V802-F805 WeakPolarHBondContact O-CA 3.48Å; V802-F805 WeakPolarHBondContact O-CB 3.32Å; V802-F805 PolarHBondContact O-N 3.36Å; V802-I806 HydrophobicContact CG1-CG1 4.15Å; V802-I806 WeakPolarHBondContact O-CG1 3.46Å; V802-I806 PolarHBondContact O-N 3.19Å; V802-F818 HydrophobicContact CG1-CB 4.5Å; V802-F818 HydrophobicContact CG1-CD1 3.58Å; V802-F818 HydrophobicContact CG1-CE1 4.31Å; V802-F818 HydrophobicContact CG1-CG 4.41Å; V802-I823 VanDerWaalsContact CB-O 3.24Å; V802-I823 WeakPolarHBondContact CB-O 3.45Å; V802-I823 VanDerWaalsContact CG1-O 3.27Å; V802-I823 WeakPolarHBondContact CG1-O 3.46Å; V802-D824 WeakPolarHBondContact CG2-O 3.34Å; V802-L828 HydrophobicContact CG1-CB 4.25Å; V802-L828 HydrophobicContact CG1-CD1 4.2Å; V802-L828 HydrophobicContact CG1-CD2 4.07Å; V802-L828 HydrophobicContact CG1-CG 4.4Å; V802-L828 HydrophobicContact CG2-CB 4.03Å; V802-L828 HydrophobicContact CG2-CD2 3.98Å
803V92.6Very high85.6Confident6 Ų653.9 Ų53.94%0.03629%0.287CS..Hα-helixtrans-59.9-31.5177.4168.20000111V799 R807 F818 L819V799-V803 HydrophobicContact CG1-CG2 4.24Å; V799-V803 VanDerWaalsContact O-CB 3.26Å; V799-V803 WeakPolarHBondContact O-CB 3.45Å; V799-V803 WeakPolarHBondContact O-CG2 3.43Å; V799-V803 PolarHBondContact O-N 2.61Å; V803-R807 WeakPolarHBondContact O-CB 3.31Å; V803-R807 VanDerWaalsContact O-CD 3.31Å; V803-R807 WeakPolarHBondContact O-CD 3.48Å; V803-R807 WeakPolarHBondContact O-CG 3.36Å; V803-R807 PolarHBondContact O-N 3.14Å; V803-F818 HydrophobicContact CG2-CB 3.92Å; V803-L819 HydrophobicContact CG1-CB 4.22Å; V803-L819 HydrophobicContact CG2-CB 3.69Å; V803-L819 HydrophobicContact CG2-CD1 4.18Å
804R92.5Very high86.2Confident142 Ų14254.8 Ų54.854%0.53629%0.291SS..Hα-helixtrans-71.7-44172.6-166.2-173.8-45.7125.119.4111.5S800 D801 V802 R807 T808S800-R804 WeakPolarHBondContact O-CB 3.33Å; S800-R804 PolarHBondContact O-NH2 2.97Å; D801-R804 CarbonylContact O-C 3.52Å; D801-R804 WeakPolarHBondContact O-CB 3.26Å; D801-R804 PolarHBondContact O-N 2.98Å; D801-R804 IonicContact OD1-CZ 2.81Å; D801-R804 IonicContact OD1-NH1 3.68Å; D801-R804 PolarHBondContact OD1-NH1 3.23Å; D801-R804 IonicContact OD1-NH2 3.84Å; D801-R804 PolarHBondContact OD1-NH2 2.71Å; V802-R804 PolarHBondContact O-N 3.04Å; R804-R807 PolarHBondContact O-N 2.88Å; R804-T808 PolarHBondContact O-N 3.04Å
805F92.4Very high86.7Confident21 Ų2154.8 Ų54.89%0.09229%0.291CS..Hα-helixtrans-60.2-53.1175.2168.8-108.2000111.8L788 W797 D801 V802 R807 T808 T809 L828 V857L788-F805 HydrophobicContact CD1-CE2 3.8Å; L788-F805 HydrophobicContact CD2-CE2 3.8Å; L788-F805 HydrophobicContact CD2-CZ 3.82Å; L788-F805 HydrophobicContact CG-CE2 4.47Å; W797-F805 HydrophobicContact CH2-CB 4.18Å; W797-F805 HydrophobicContact CH2-CD2 4.24Å; W797-F805 HydrophobicContact CH2-CG 4.05Å; W797-F805 HydrophobicContact CZ3-CB 3.84Å; W797-F805 HydrophobicContact CZ3-CD1 4.05Å; W797-F805 HydrophobicContact CZ3-CD2 4.49Å; W797-F805 AromaticContact CZ3-CG 3.85Å; W797-F805 HydrophobicContact CZ3-CG 3.85Å; D801-F805 PolarHBondContact O-N 3.12Å; V802-F805 CarbonylContact O-C 3.46Å; V802-F805 WeakPolarHBondContact O-CA 3.48Å; V802-F805 WeakPolarHBondContact O-CB 3.32Å; V802-F805 PolarHBondContact O-N 3.36Å; F805-R807 PolarHBondContact O-N 3.04Å; F805-T808 WeakPolarHBondContact O-CA 3.17Å; F805-T808 WeakPolarHBondContact O-CB 3.11Å; F805-T808 PolarHBondContact O-N 3.32Å; F805-T808 PolarHBondContact O-OG1 2.88Å; F805-T809 HydrophobicContact CE1-CG2 4.18Å; F805-T809 HydrophobicContact CE2-CG2 4.2Å; F805-T809 HydrophobicContact CZ-CG2 3.9Å; F805-L828 HydrophobicContact CD1-CD2 3.82Å; F805-L828 HydrophobicContact CE1-CD2 4.14Å; F805-V857 HydrophobicContact CD1-CG2 4.2Å; F805-V857 HydrophobicContact CE1-CG2 3.41Å; F805-V857 VanDerWaalsContact CE1-CG2 3.41Å; F805-V857 HydrophobicContact CE2-CG2 4.32Å; F805-V857 HydrophobicContact CZ-CG2 3.49Å; F805-V857 VanDerWaalsContact CZ-CG2 3.49Å
806I93.1Very high87.7Confident0 Ų059.5 Ų59.50%030%0.303CS..Hα-helixtrans-59.2-36.6-179.8-58.1-62.4000110.8V802 T808 T809 C811 A812 A815 F818 L828 L850V802-I806 HydrophobicContact CG1-CG1 4.15Å; V802-I806 WeakPolarHBondContact O-CG1 3.46Å; V802-I806 PolarHBondContact O-N 3.19Å; I806-T808 PolarHBondContact O-N 3.35Å; I806-T808 VanDerWaalsContact O-N 3.16Å; I806-T809 PolarHBondContact O-N 3Å; I806-T809 PolarHBondContact O-OG1 2.85Å; I806-C811 HydrophobicContact CG2-CB 4.41Å; I806-A812 WeakPolarHBondContact O-CA 3.49Å; I806-A812 PolarHBondContact O-N 3.09Å; I806-A815 HydrophobicContact CB-CB 3.93Å; I806-A815 HydrophobicContact CG2-CB 3.76Å; I806-F818 HydrophobicContact CD1-CE1 4.32Å; I806-F818 HydrophobicContact CD1-CZ 4.42Å; I806-F818 HydrophobicContact CG1-CD1 4.03Å; I806-F818 HydrophobicContact CG1-CD2 4.37Å; I806-F818 HydrophobicContact CG1-CE1 4.25Å; I806-F818 HydrophobicContact CG1-CG 4.13Å; I806-F818 HydrophobicContact CG2-CD2 4.5Å; I806-L828 HydrophobicContact CD1-CD1 3.95Å; I806-L850 HydrophobicContact CD1-CD1 4.03Å
807R91.9Very high88.4Confident144 Ų14455 Ų5554%0.54328%0.283SS..THydrogen-bonded Turntrans-62.3-15.1172.3-74.1170.4-167.5-170.25.2115V803 R804 F805 A815V803-R807 WeakPolarHBondContact O-CB 3.31Å; V803-R807 VanDerWaalsContact O-CD 3.31Å; V803-R807 WeakPolarHBondContact O-CD 3.48Å; V803-R807 WeakPolarHBondContact O-CG 3.36Å; V803-R807 PolarHBondContact O-N 3.14Å; R804-R807 PolarHBondContact O-N 2.88Å; F805-R807 PolarHBondContact O-N 3.04Å; R807-A815 HydrophobicContact CG-CB 3.5Å; R807-A815 VanDerWaalsContact CG-CB 3.5Å
808T87.3Confident88.4Confident110 Ų11054 Ų5468%0.67528%0.279SS*.THydrogen-bonded Turntrans-92.9-9.8172.269.80000113.9R804 F805 I806R804-T808 PolarHBondContact O-N 3.04Å; F805-T808 WeakPolarHBondContact O-CA 3.17Å; F805-T808 WeakPolarHBondContact O-CB 3.11Å; F805-T808 PolarHBondContact O-N 3.32Å; F805-T808 PolarHBondContact O-OG1 2.88Å; I806-T808 PolarHBondContact O-N 3.35Å; I806-T808 VanDerWaalsContact O-N 3.16Å
809T89.6Confident88.4Confident17 Ų1754.1 Ų54.110%0.10428%0.276CS..SBendtrans-89.9172.5178.573.10000112.4F805 I806 C811 A812 H853F805-T809 HydrophobicContact CE1-CG2 4.18Å; F805-T809 HydrophobicContact CE2-CG2 4.2Å; F805-T809 HydrophobicContact CZ-CG2 3.9Å; I806-T809 PolarHBondContact O-N 3Å; I806-T809 PolarHBondContact O-OG1 2.85Å; T809-C811 PolarHBondContact O-N 3.15Å; T809-C811 WeakPolarHBondContact OG1-CA 3.43Å; T809-C811 WeakPolarHBondContact OG1-CB 3.43Å; T809-C811 PolarHBondContact OG1-N 3.45Å; T809-A812 WeakPolarHBondContact O-CB 3.23Å; T809-A812 PolarHBondContact O-N 3.41Å; T809-H853 HydrophobicContact CG2-CB 4.36Å
810D82.8Confident88Confident94 Ų9455.5 Ų55.550%0.50328%0.282SS..THydrogen-bonded Turntrans-72.6-5.5168.980.1-39.6000113.3A812 K849 H853D810-A812 VanDerWaalsContact C-N 3.34Å; D810-K849 IonicContact OD2-NZ 2.68Å; D810-K849 PolarHBondContact OD2-NZ 2.79Å; D810-H853 IonicContact OD1-CD2 2.69Å; D810-H853 IonicContact OD1-CE1 3.79Å; D810-H853 IonicContact OD1-NE2 3.67Å; D810-H853 PolarHBondContact OD1-NE2 3.42Å
811C88.3Confident87.5Confident7 Ų754.3 Ų54.35%0.04727%0.269CS..THydrogen-bonded Turntrans-91.111.3172-62.70000113.1I806 T809 P813 L814 L850I806-C811 HydrophobicContact CG2-CB 4.41Å; T809-C811 PolarHBondContact O-N 3.15Å; T809-C811 WeakPolarHBondContact OG1-CA 3.43Å; T809-C811 WeakPolarHBondContact OG1-CB 3.43Å; T809-C811 PolarHBondContact OG1-N 3.45Å; C811-P813 VanDerWaalsContact C-N 3.31Å; C811-P813 WeakPolarHBondContact O-CD 3.41Å; C811-P813 VanDerWaalsContact O-N 3.08Å; C811-L814 HydrophobicContact CB-CD1 4.19Å; C811-L814 VanDerWaalsContact O-CB 3.31Å; C811-L814 WeakPolarHBondContact O-CB 3.35Å; C811-L814 PolarHBondContact O-N 3.08Å; C811-L850 HydrophobicContact CB-CD1 4.28Å
812A88.7Confident86.9Confident35 Ų3555 Ų5529%0.28927%0.27SS..G310 helixtrans-47.3-34.1-179.600000116.9I806 T809 D810 L814 A815I806-A812 WeakPolarHBondContact O-CA 3.49Å; I806-A812 PolarHBondContact O-N 3.09Å; T809-A812 WeakPolarHBondContact O-CB 3.23Å; T809-A812 PolarHBondContact O-N 3.41Å; D810-A812 VanDerWaalsContact C-N 3.34Å; A812-L814 PolarHBondContact O-N 2.61Å; A812-A815 VanDerWaalsContact O-CB 3.26Å; A812-A815 WeakPolarHBondContact O-CB 3.39Å; A812-A815 PolarHBondContact O-N 3.29Å; A812-A815 VanDerWaalsContact O-N 3.16Å
813P88.3Confident86.4Confident110 Ų11055.7 Ų55.771%0.71427%0.274SS*.G310 helixtrans-60.5-30173.4-25.136.1000113.8C811 A815C811-P813 VanDerWaalsContact C-N 3.31Å; C811-P813 WeakPolarHBondContact O-CD 3.41Å; C811-P813 VanDerWaalsContact O-N 3.08Å; P813-A815 VanDerWaalsContact C-N 3.27Å; P813-A815 PolarHBondContact O-N 2.7Å
814L86.3Confident85.8Confident28 Ų2856.8 Ų56.815%0.14728%0.279CS..G310 helixtrans-76.1-15179.4-50.2-176.8000112.2C811 A812 R816 I817 F818 L842 L850C811-L814 HydrophobicContact CB-CD1 4.19Å; C811-L814 VanDerWaalsContact O-CB 3.31Å; C811-L814 WeakPolarHBondContact O-CB 3.35Å; C811-L814 PolarHBondContact O-N 3.08Å; A812-L814 PolarHBondContact O-N 2.61Å; L814-R816 PolarHBondContact O-N 2.93Å; L814-I817 HydrophobicContact CD2-CD1 4.16Å; L814-I817 WeakPolarHBondContact O-CA 3.47Å; L814-I817 VanDerWaalsContact O-CB 3.31Å; L814-I817 WeakPolarHBondContact O-CB 3.44Å; L814-I817 PolarHBondContact O-N 3.43Å; L814-F818 WeakPolarHBondContact O-CD2 3.16Å; L814-F818 PolarHBondContact O-N 2.78Å; L814-L842 HydrophobicContact CD1-CD1 3.93Å; L814-L842 HydrophobicContact CD1-CD2 4.45Å; L814-L842 HydrophobicContact CD2-CD2 3.77Å; L814-L850 HydrophobicContact CD1-CB 4.36Å; L814-L850 HydrophobicContact CD1-CD2 3.77Å
815A88.4Confident85Confident1 Ų150 Ų501%0.00825%0.254CS..G310 helixtrans-64.7-4.4-179.400000114.7I806 R807 A812 P813I806-A815 HydrophobicContact CB-CB 3.93Å; I806-A815 HydrophobicContact CG2-CB 3.76Å; R807-A815 HydrophobicContact CG-CB 3.5Å; R807-A815 VanDerWaalsContact CG-CB 3.5Å; A812-A815 VanDerWaalsContact O-CB 3.26Å; A812-A815 WeakPolarHBondContact O-CB 3.39Å; A812-A815 PolarHBondContact O-N 3.29Å; A812-A815 VanDerWaalsContact O-N 3.16Å; P813-A815 VanDerWaalsContact C-N 3.27Å; P813-A815 PolarHBondContact O-N 2.7Å
816R83.3Confident83.7Confident179 Ų17952 Ų5268%0.67526%0.264SS*.G310 helixtrans-80.2-39165.3-177.9168.9-177.9171.73.1111.7L814 F818 L819 D820L814-R816 PolarHBondContact O-N 2.93Å; R816-F818 VanDerWaalsContact C-N 3.33Å; R816-F818 PolarHBondContact O-N 2.88Å; R816-L819 CarbonylContact O-C 3.6Å; R816-L819 PolarHBondContact O-N 3.41Å; R816-D820 WeakPolarHBondContact CG-OD2 3.48Å; R816-D820 IonicContact CZ-OD2 3.75Å; R816-D820 IonicContact NE-OD2 2.87Å; R816-D820 PolarHBondContact NE-OD2 2.94Å; R816-D820 IonicContact NH2-OD2 3.74Å; R816-D820 WeakPolarHBondContact O-CB 3.4Å; R816-D820 PolarHBondContact O-N 3.12Å
817I85.3Confident82.7Confident46 Ų4652.1 Ų52.124%0.23627%0.265CS..Hα-helixtrans-58.8-48.1173.8-53.7174.6000109.2L814 L819 D820 Q821 M840 L842L814-I817 HydrophobicContact CD2-CD1 4.16Å; L814-I817 WeakPolarHBondContact O-CA 3.47Å; L814-I817 VanDerWaalsContact O-CB 3.31Å; L814-I817 WeakPolarHBondContact O-CB 3.44Å; L814-I817 PolarHBondContact O-N 3.43Å; I817-L819 PolarHBondContact O-N 3.22Å; I817-D820 PolarHBondContact O-N 2.98Å; I817-D820 VanDerWaalsContact O-N 3.14Å; I817-Q821 HydrophobicContact CG2-CG 3.79Å; I817-Q821 VanDerWaalsContact O-CB 3.24Å; I817-Q821 WeakPolarHBondContact O-CB 3.36Å; I817-Q821 WeakPolarHBondContact O-CG 3.35Å; I817-Q821 PolarHBondContact O-N 2.76Å; I817-M840 HydrophobicContact CG2-CB 4.34Å; I817-M840 HydrophobicContact CG2-CG 4.28Å; I817-M840 HydrophobicContact CG2-SD 4.22Å; I817-L842 HydrophobicContact CD1-CD2 4.06Å
818F87.7Confident82.1Confident0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-59.9-20.2176.1-75-104.3000114.4V802 V803 I806 L814 R816 E822 I823 L828 L831 M840 L850V802-F818 HydrophobicContact CG1-CB 4.5Å; V802-F818 HydrophobicContact CG1-CD1 3.58Å; V802-F818 HydrophobicContact CG1-CE1 4.31Å; V802-F818 HydrophobicContact CG1-CG 4.41Å; V803-F818 HydrophobicContact CG2-CB 3.92Å; I806-F818 HydrophobicContact CD1-CE1 4.32Å; I806-F818 HydrophobicContact CD1-CZ 4.42Å; I806-F818 HydrophobicContact CG1-CD1 4.03Å; I806-F818 HydrophobicContact CG1-CD2 4.37Å; I806-F818 HydrophobicContact CG1-CE1 4.25Å; I806-F818 HydrophobicContact CG1-CG 4.13Å; I806-F818 HydrophobicContact CG2-CD2 4.5Å; L814-F818 WeakPolarHBondContact O-CD2 3.16Å; L814-F818 PolarHBondContact O-N 2.78Å; R816-F818 VanDerWaalsContact C-N 3.33Å; R816-F818 PolarHBondContact O-N 2.88Å; F818-E822 WeakPolarHBondContact O-CA 3.22Å; F818-I823 HydrophobicContact CB-CB 4.41Å; F818-I823 HydrophobicContact CD1-CB 3.63Å; F818-I823 HydrophobicContact CD1-CD1 3.76Å; F818-I823 HydrophobicContact CD1-CG1 4.2Å; F818-I823 HydrophobicContact CD1-CG2 3.64Å; F818-I823 HydrophobicContact CE1-CB 4.22Å; F818-I823 HydrophobicContact CE1-CD1 3.88Å; F818-I823 HydrophobicContact CE1-CG2 3.76Å; F818-I823 HydrophobicContact CG-CB 4.33Å; F818-I823 HydrophobicContact CG-CD1 4.08Å; F818-I823 HydrophobicContact CZ-CD1 4.3Å; F818-I823 PolarHBondContact O-N 2.96Å; F818-L828 HydrophobicContact CD1-CD1 4.38Å; F818-L828 HydrophobicContact CE1-CD1 3.64Å; F818-L828 HydrophobicContact CZ-CD1 4.42Å; F818-L831 HydrophobicContact CE1-CD1 3.74Å; F818-L831 HydrophobicContact CZ-CD1 3.85Å; F818-M840 HydrophobicContact CE2-SD 4.28Å; F818-M840 HydrophobicContact CZ-CE 4.3Å; F818-M840 HydrophobicContact CZ-SD 4.47Å; F818-L850 HydrophobicContact CE2-CD1 3.9Å; F818-L850 HydrophobicContact CE2-CD2 3.58Å; F818-L850 HydrophobicContact CE2-CG 4.31Å; F818-L850 HydrophobicContact CZ-CD1 3.7Å; F818-L850 HydrophobicContact CZ-CD2 3.71Å; F818-L850 HydrophobicContact CZ-CG 4.09Å
819L84.6Confident81.5Confident57 Ų5740.6 Ų40.630%0.29821%0.21SC..Hα-helixtrans-95.6-32.4176.1-176.362000112.8R92 V799 V803 R816 I817 Q821 E822R92-L819 PolarHBondContact NH1-O 2.67Å; R92-L819 VanDerWaalsContact NH1-O 3.1Å; V799-L819 HydrophobicContact CG1-CD1 4.27Å; V803-L819 HydrophobicContact CG1-CB 4.22Å; V803-L819 HydrophobicContact CG2-CB 3.69Å; V803-L819 HydrophobicContact CG2-CD1 4.18Å; R816-L819 CarbonylContact O-C 3.6Å; R816-L819 PolarHBondContact O-N 3.41Å; I817-L819 PolarHBondContact O-N 3.22Å; L819-Q821 VanDerWaalsContact C-N 3.33Å; L819-E822 VanDerWaalsContact O-CG 3.28Å; L819-E822 WeakPolarHBondContact O-CG 3.21Å
820D75.9Confident80Confident53 Ų5340.6 Ų40.628%0.28321%0.209SC..Hα-helixtrans-87.6-6.4179-69.5-31000112.1R92 R816 I817R92-D820 IonicContact CZ-OD1 3.57Å; R92-D820 IonicContact NH2-OD1 2.77Å; R92-D820 PolarHBondContact NH2-OD1 2.87Å; R816-D820 WeakPolarHBondContact CG-OD2 3.48Å; R816-D820 IonicContact CZ-OD2 3.75Å; R816-D820 IonicContact NE-OD2 2.87Å; R816-D820 PolarHBondContact NE-OD2 2.94Å; R816-D820 IonicContact NH2-OD2 3.74Å; R816-D820 WeakPolarHBondContact O-CB 3.4Å; R816-D820 PolarHBondContact O-N 3.12Å; I817-D820 PolarHBondContact O-N 2.98Å; I817-D820 VanDerWaalsContact O-N 3.14Å
821Q79.7Confident79.5Confident48 Ų4836.5 Ų36.522%0.22419%0.187CC..THydrogen-bonded Turntrans-122.816.6172.2-50.5-71.4-99.100111.6R91 I817 L819 I823R91-Q821 CarbonylContact O-C 3.58Å; I817-Q821 HydrophobicContact CG2-CG 3.79Å; I817-Q821 VanDerWaalsContact O-CB 3.24Å; I817-Q821 WeakPolarHBondContact O-CB 3.36Å; I817-Q821 WeakPolarHBondContact O-CG 3.35Å; I817-Q821 PolarHBondContact O-N 2.76Å; L819-Q821 VanDerWaalsContact C-N 3.33Å; Q821-I823 VanDerWaalsContact C-N 3.32Å; Q821-I823 HydrophobicContact CB-CD1 4.29Å; Q821-I823 HydrophobicContact CB-CG1 4.07Å; Q821-I823 VanDerWaalsContact O-CG1 3.31Å; Q821-I823 WeakPolarHBondContact O-CG1 3.39Å; Q821-I823 PolarHBondContact O-N 2.85Å
822E75.4Confident78.4Confident57 Ų5738.2 Ų38.227%0.26620%0.196SC..THydrogen-bonded Turntrans20.759.9-174.6-58.4-168.9-161.300117.6R92 V799 F818 L819 D824R92-E822 HydrophobicContact CB-CB 4.23Å; R92-E822 HydrophobicContact CB-CG 3.79Å; R92-E822 WeakPolarHBondContact CB-OE1 3.44Å; R92-E822 VanDerWaalsContact CD-OE1 3.24Å; R92-E822 WeakPolarHBondContact CD-OE1 3.37Å; R92-E822 HydrophobicContact CG-CG 3.85Å; R92-E822 WeakPolarHBondContact CG-OE1 3.48Å; R92-E822 IonicContact CZ-OE1 3.09Å; R92-E822 IonicContact NE-OE1 3.65Å; R92-E822 IonicContact NH1-OE1 2.69Å; R92-E822 PolarHBondContact NH1-OE1 3.27Å; R92-E822 WeakPolarHBondContact O-CB 3.37Å; V799-E822 HydrophobicContact CB-CB 4.32Å; V799-E822 HydrophobicContact CG1-CB 3.68Å; V799-E822 HydrophobicContact CG1-CG 3.92Å; V799-E822 HydrophobicContact CG2-CB 3.68Å; V799-E822 HydrophobicContact CG2-CG 4.46Å; F818-E822 WeakPolarHBondContact O-CA 3.22Å; L819-E822 VanDerWaalsContact O-CG 3.28Å; L819-E822 WeakPolarHBondContact O-CG 3.21Å; E822-D824 PolarHBondContact O-N 3.46Å; E822-D824 VanDerWaalsContact O-N 3.11Å
823I80.1Confident77Confident15 Ų1539.3 Ų39.38%0.07720%0.196CC..  trans-76.5103.6-177.8-57.6-178.5000108.4V802 F818 Q821 A827 L828 L831 M840V802-I823 VanDerWaalsContact CB-O 3.24Å; V802-I823 WeakPolarHBondContact CB-O 3.45Å; V802-I823 VanDerWaalsContact CG1-O 3.27Å; V802-I823 WeakPolarHBondContact CG1-O 3.46Å; F818-I823 HydrophobicContact CB-CB 4.41Å; F818-I823 HydrophobicContact CD1-CB 3.63Å; F818-I823 HydrophobicContact CD1-CD1 3.76Å; F818-I823 HydrophobicContact CD1-CG1 4.2Å; F818-I823 HydrophobicContact CD1-CG2 3.64Å; F818-I823 HydrophobicContact CE1-CB 4.22Å; F818-I823 HydrophobicContact CE1-CD1 3.88Å; F818-I823 HydrophobicContact CE1-CG2 3.76Å; F818-I823 HydrophobicContact CG-CB 4.33Å; F818-I823 HydrophobicContact CG-CD1 4.08Å; F818-I823 HydrophobicContact CZ-CD1 4.3Å; F818-I823 PolarHBondContact O-N 2.96Å; Q821-I823 VanDerWaalsContact C-N 3.32Å; Q821-I823 HydrophobicContact CB-CD1 4.29Å; Q821-I823 HydrophobicContact CB-CG1 4.07Å; Q821-I823 VanDerWaalsContact O-CG1 3.31Å; Q821-I823 WeakPolarHBondContact O-CG1 3.39Å; Q821-I823 PolarHBondContact O-N 2.85Å; I823-A827 HydrophobicContact CB-CB 4.36Å; I823-A827 HydrophobicContact CG2-CB 3.53Å; I823-L828 HydrophobicContact CG2-CB 4.5Å; I823-L831 HydrophobicContact CD1-CD1 4.33Å; I823-L831 HydrophobicContact CG2-CD1 4.18Å; I823-M840 HydrophobicContact CD1-CE 3.41Å; I823-M840 VanDerWaalsContact CD1-CE 3.41Å; I823-M840 HydrophobicContact CD1-SD 4.49Å
824D80.1Confident75.6Confident28 Ų2837.6 Ų37.615%0.1519%0.185CC..  trans-74.2179.1173.186.7-2.1000112.5V799 V802 E822 Q826 A827 L828V799-D824 HydrophobicContact CG2-CB 4.33Å; V802-D824 WeakPolarHBondContact CG2-O 3.34Å; E822-D824 PolarHBondContact O-N 3.46Å; E822-D824 VanDerWaalsContact O-N 3.11Å; D824-Q826 WeakPolarHBondContact OD1-CA 3.12Å; D824-Q826 WeakPolarHBondContact OD1-CB 3.48Å; D824-Q826 PolarHBondContact OD1-N 3.35Å; D824-A827 WeakPolarHBondContact O-CB 3.39Å; D824-A827 PolarHBondContact O-N 3.04Å; D824-A827 WeakPolarHBondContact OD1-CB 3.17Å; D824-A827 PolarHBondContact OD1-N 2.78Å; D824-L828 WeakPolarHBondContact O-CB 3.34Å; D824-L828 PolarHBondContact O-N 2.91Å
825G75.6Confident74.5Confident0 Ų037 Ų370%018%0.183CC..Hα-helixtrans-76.4-20.9-175.100000115.2P794 W797 L829P794-G825 CarbonylContact O-C 3.54Å; P794-G825 WeakPolarHBondContact O-CA 3.42Å; W797-G825 PolarHBondContact O-N 2.84Å; G825-L829 WeakPolarHBondContact O-CG 3.48Å; G825-L829 PolarHBondContact O-N 2.78Å
826Q64.6Low74.1Confident63 Ų6337 Ų3729%0.29418%0.183SC..Hα-helixtrans-67.4-47.2166.9-63.5-176.158.900107.9W96 P794 L795 D824 L828 L829 L830W96-Q826 HydrophobicContact CB-CB 4.21Å; W96-Q826 PolarHBondContact O-OE1 3.08Å; P794-Q826 PolarHBondContact O-N 3.42Å; L795-Q826 HydrophobicContact CB-CG 4.26Å; L795-Q826 HydrophobicContact CD2-CG 3.88Å; L795-Q826 PolarHBondContact O-NE2 3.48Å; D824-Q826 WeakPolarHBondContact OD1-CA 3.12Å; D824-Q826 WeakPolarHBondContact OD1-CB 3.48Å; D824-Q826 PolarHBondContact OD1-N 3.35Å; Q826-L828 PolarHBondContact O-N 2.88Å; Q826-L829 WeakPolarHBondContact O-CB 3.34Å; Q826-L829 PolarHBondContact O-N 3.1Å; Q826-L829 VanDerWaalsContact O-N 3.14Å; Q826-L830 WeakPolarHBondContact O-CD1 3.24Å; Q826-L830 WeakPolarHBondContact O-CG 3.35Å
827A72.1Confident73.6Confident3 Ų331.3 Ų31.33%0.02516%0.164CC..Hα-helixtrans-58.6-46.6174.800000113.8W96 I823 D824 L829 L830 L831W96-A827 HydrophobicContact CG-CB 4.04Å; W96-A827 VanDerWaalsContact NE1-CB 3.29Å; I823-A827 HydrophobicContact CB-CB 4.36Å; I823-A827 HydrophobicContact CG2-CB 3.53Å; D824-A827 WeakPolarHBondContact O-CB 3.39Å; D824-A827 PolarHBondContact O-N 3.04Å; D824-A827 WeakPolarHBondContact OD1-CB 3.17Å; D824-A827 PolarHBondContact OD1-N 2.78Å; A827-L829 PolarHBondContact O-N 2.65Å; A827-L830 PolarHBondContact O-N 3.23Å; A827-L831 PolarHBondContact O-N 3Å
828L81.2Confident72.7Confident0 Ų036.5 Ų36.50%019%0.187CC..Hα-helixtrans-57.8-35.8177.2-178.768.5000111.7W797 V802 F805 I806 F818 I823 D824 Q826 L830 I854 V857W797-L828 HydrophobicContact CE3-CD2 4.24Å; W797-L828 HydrophobicContact CZ3-CD2 3.9Å; V802-L828 HydrophobicContact CG1-CB 4.25Å; V802-L828 HydrophobicContact CG1-CD1 4.2Å; V802-L828 HydrophobicContact CG1-CD2 4.07Å; V802-L828 HydrophobicContact CG1-CG 4.4Å; V802-L828 HydrophobicContact CG2-CB 4.03Å; V802-L828 HydrophobicContact CG2-CD2 3.98Å; F805-L828 HydrophobicContact CD1-CD2 3.82Å; F805-L828 HydrophobicContact CE1-CD2 4.14Å; I806-L828 HydrophobicContact CD1-CD1 3.95Å; F818-L828 HydrophobicContact CD1-CD1 4.38Å; F818-L828 HydrophobicContact CE1-CD1 3.64Å; F818-L828 HydrophobicContact CZ-CD1 4.42Å; I823-L828 HydrophobicContact CG2-CB 4.5Å; D824-L828 WeakPolarHBondContact O-CB 3.34Å; D824-L828 PolarHBondContact O-N 2.91Å; Q826-L828 PolarHBondContact O-N 2.88Å; L828-L830 PolarHBondContact O-N 3.48Å; L828-I854 HydrophobicContact CD1-CD1 4.48Å; L828-I854 HydrophobicContact CD1-CG1 3.68Å; L828-I854 HydrophobicContact CG-CG1 4.38Å; L828-I854 WeakPolarHBondContact O-CG2 3.29Å; L828-V857 HydrophobicContact CD2-CG1 4.28Å; L828-V857 HydrophobicContact CD2-CG2 4.12Å
829L74.4Confident71.4Confident12 Ų1239.5 Ų39.56%0.06321%0.207CC..THydrogen-bonded Turntrans-70.8-2.7179.1-84.6178.7000114.1P794 L795 G825 Q826 A827 V857 K858 F861P794-L829 HydrophobicContact CB-CD1 3.85Å; P794-L829 HydrophobicContact CB-CG 4.04Å; L795-L829 HydrophobicContact CD2-CD1 3.84Å; G825-L829 WeakPolarHBondContact O-CG 3.48Å; G825-L829 PolarHBondContact O-N 2.78Å; Q826-L829 WeakPolarHBondContact O-CB 3.34Å; Q826-L829 PolarHBondContact O-N 3.1Å; Q826-L829 VanDerWaalsContact O-N 3.14Å; A827-L829 PolarHBondContact O-N 2.65Å; L829-V857 HydrophobicContact CD2-CB 4.46Å; L829-V857 HydrophobicContact CD2-CG1 3.87Å; L829-V857 HydrophobicContact CG-CG1 4.42Å; L829-K858 VanDerWaalsContact C-CE 3.48Å; L829-K858 VanDerWaalsContact CD2-CA 3.47Å; L829-K858 HydrophobicContact CD2-CB 4.18Å; L829-K858 HydrophobicContact CD2-CG 3.78Å; L829-K858 WeakPolarHBondContact O-CE 3.38Å; L829-F861 HydrophobicContact CD1-CB 4.33Å; L829-F861 HydrophobicContact CD1-CD1 3.82Å; L829-F861 HydrophobicContact CD1-CD2 4.43Å; L829-F861 HydrophobicContact CD1-CE1 4.26Å; L829-F861 HydrophobicContact CD1-CG 3.92Å; L829-F861 HydrophobicContact CD2-CB 4.07Å; L829-F861 HydrophobicContact CD2-CD1 4.32Å; L829-F861 HydrophobicContact CD2-CG 4.42Å
830L57.3Low70.9Confident16 Ų1637.9 Ų37.98%0.08420%0.198CC..THydrogen-bonded Turntrans-130.8-22.6-163.7-59.5169.8000114.4C76 L79 W96 Q826 A827 L828 N832C76-L830 PolarHBondContact SG-O 2.87Å; C76-L830 VanDerWaalsContact SG-O 3.39Å; L79-L830 HydrophobicContact CB-CD1 3.96Å; L79-L830 HydrophobicContact CB-CD2 3.75Å; L79-L830 HydrophobicContact CB-CG 4.4Å; L79-L830 HydrophobicContact CD1-CD2 3.63Å; L79-L830 HydrophobicContact CD2-CD1 3.75Å; L79-L830 HydrophobicContact CD2-CD2 3.54Å; L79-L830 HydrophobicContact CD2-CG 4.29Å; L79-L830 HydrophobicContact CG-CD1 4.41Å; L79-L830 HydrophobicContact CG-CD2 3.79Å; W96-L830 HydrophobicContact CB-CD1 3.45Å; W96-L830 VanDerWaalsContact CB-CD1 3.45Å; W96-L830 HydrophobicContact CD2-CB 3.78Å; W96-L830 HydrophobicContact CD2-CD1 3.63Å; W96-L830 HydrophobicContact CD2-CG 4.33Å; W96-L830 HydrophobicContact CE3-CB 3.45Å; W96-L830 VanDerWaalsContact CE3-CB 3.45Å; W96-L830 HydrophobicContact CE3-CD1 3.4Å; W96-L830 HydrophobicContact CE3-CG 4.02Å; W96-L830 HydrophobicContact CG-CD1 3.75Å; W96-L830 HydrophobicContact CH2-CB 3.89Å; W96-L830 HydrophobicContact CZ2-CB 4.19Å; W96-L830 HydrophobicContact CZ3-CB 3.53Å; W96-L830 HydrophobicContact CZ3-CD1 4.28Å; W96-L830 HydrophobicContact CZ3-CG 4.48Å; Q826-L830 WeakPolarHBondContact O-CD1 3.24Å; Q826-L830 WeakPolarHBondContact O-CG 3.35Å; A827-L830 PolarHBondContact O-N 3.23Å; L828-L830 PolarHBondContact O-N 3.48Å; L830-N832 PolarHBondContact O-N 3.01Å
831L73Confident70.7Confident8 Ų842.2 Ų42.24%0.04222%0.221CC..  trans-43.8130.5162.5-67.2175.5000112.9F818 I823 A827 T835 V836 M840 I854 K858F818-L831 HydrophobicContact CE1-CD1 3.74Å; F818-L831 HydrophobicContact CZ-CD1 3.85Å; I823-L831 HydrophobicContact CD1-CD1 4.33Å; I823-L831 HydrophobicContact CG2-CD1 4.18Å; A827-L831 PolarHBondContact O-N 3Å; L831-T835 HydrophobicContact CD2-CG2 4.01Å; L831-V836 HydrophobicContact CB-CG2 3.82Å; L831-V836 HydrophobicContact CD1-CG2 4.37Å; L831-V836 HydrophobicContact CD2-CG2 4.24Å; L831-V836 HydrophobicContact CG-CG2 4.37Å; L831-M840 HydrophobicContact CD1-CE 3.61Å; L831-M840 HydrophobicContact CD2-CE 3.52Å; L831-M840 HydrophobicContact CG-CE 4.21Å; L831-I854 HydrophobicContact CB-CD1 3.58Å; L831-I854 HydrophobicContact CB-CG1 4.45Å; L831-I854 HydrophobicContact CD1-CD1 3.85Å; L831-I854 HydrophobicContact CG-CD1 4.4Å; L831-I854 WeakPolarHBondContact O-CG2 3.05Å; L831-K858 PolarHBondContact O-NZ 3.49Å
832N63.9Low70.5Confident44 Ų4440.8 Ų40.824%0.23522%0.215CC..  trans-123.1177.2175.767.249.8000110.1L830 P834 T835 V836L830-N832 PolarHBondContact O-N 3.01Å; N832-P834 VanDerWaalsContact OD1-CD 3.24Å; N832-P834 WeakPolarHBondContact OD1-CD 3.31Å; N832-T835 PolarHBondContact ND2-OG1 2.81Å; N832-T835 PolarHBondContact OD1-N 2.87Å; N832-T835 PolarHBondContact OD1-OG1 3.02Å; N832-V836 WeakPolarHBondContact O-CB 3.25Å; N832-V836 WeakPolarHBondContact O-CG2 3.48Å; N832-V836 PolarHBondContact O-N 2.78Å
833L60.6Low70.4Confident58 Ų5846.1 Ų46.130%0.30424%0.238SC..Hα-helixtrans-64.9-49.6-172.8-17961.5000113.8V836 Q837 L844 A847 I848 C851L833-V836 PolarHBondContact O-N 2.85Å; L833-Q837 HydrophobicContact CD1-CG 4.24Å; L833-Q837 WeakPolarHBondContact O-CG 3.5Å; L833-Q837 PolarHBondContact O-N 3.03Å; L833-L844 HydrophobicContact CD2-CD1 4.33Å; L833-A847 HydrophobicContact CD1-CB 3.7Å; L833-I848 HydrophobicContact CD1-CG1 3.79Å; L833-I848 HydrophobicContact CD2-CG1 3.95Å; L833-C851 VanDerWaalsContact CA-SG 3.55Å
834P58.6Low69.6Low74 Ų7449.9 Ų49.948%0.48126%0.257SS..Hα-helixtrans-50.3-56169.4-30.134.8000114N832 V836 Q837 E838N832-P834 VanDerWaalsContact OD1-CD 3.24Å; N832-P834 WeakPolarHBondContact OD1-CD 3.31Å; P834-V836 VanDerWaalsContact C-N 3.27Å; P834-V836 PolarHBondContact O-N 3.06Å; P834-Q837 PolarHBondContact O-N 3.22Å; P834-E838 PolarHBondContact O-N 2.9Å
835T63.3Low69.2Low16 Ų1650.6 Ų50.610%0.09827%0.272CS..Hα-helixtrans-58.4-38.7-177.8-47.80000112.3L831 N832 C839L831-T835 HydrophobicContact CD2-CG2 4.01Å; N832-T835 PolarHBondContact ND2-OG1 2.81Å; N832-T835 PolarHBondContact OD1-N 2.87Å; N832-T835 PolarHBondContact OD1-OG1 3.02Å; T835-C839 HydrophobicContact CG2-CB 4.26Å; T835-C839 VanDerWaalsContact O-CB 3.25Å; T835-C839 WeakPolarHBondContact O-CB 3.44Å; T835-C839 PolarHBondContact O-N 3.08Å
836V79.1Confident69.3Low0 Ų053.6 Ų53.60%029%0.291CS..Hα-helixtrans-72.4-29.4179171.90000112L831 N832 L833 P834 M840 L842 A847 L850 I854L831-V836 HydrophobicContact CB-CG2 3.82Å; L831-V836 HydrophobicContact CD1-CG2 4.37Å; L831-V836 HydrophobicContact CD2-CG2 4.24Å; L831-V836 HydrophobicContact CG-CG2 4.37Å; N832-V836 WeakPolarHBondContact O-CB 3.25Å; N832-V836 WeakPolarHBondContact O-CG2 3.48Å; N832-V836 PolarHBondContact O-N 2.78Å; L833-V836 PolarHBondContact O-N 2.85Å; P834-V836 VanDerWaalsContact C-N 3.27Å; P834-V836 PolarHBondContact O-N 3.06Å; V836-M840 HydrophobicContact CG2-CE 4.42Å; V836-L842 HydrophobicContact CG1-CD1 3.8Å; V836-L842 WeakPolarHBondContact O-CB 3.33Å; V836-A847 HydrophobicContact CG1-CB 3.83Å; V836-L850 HydrophobicContact CG1-CB 4.22Å; V836-L850 HydrophobicContact CG1-CD2 3.68Å; V836-L850 HydrophobicContact CG1-CG 4.16Å; V836-I854 HydrophobicContact CG2-CD1 4.26Å
837Q72.4Confident69.8Low59 Ų5950.6 Ų50.628%0.27628%0.277SS..Hα-helixtrans-75.6-52.2174-73.5-176.7-134.200112.1L833 P834 D841 L842 A847L833-Q837 HydrophobicContact CD1-CG 4.24Å; L833-Q837 WeakPolarHBondContact O-CG 3.5Å; L833-Q837 PolarHBondContact O-N 3.03Å; P834-Q837 PolarHBondContact O-N 3.22Å; Q837-D841 WeakPolarHBondContact O-CA 3.35Å; Q837-D841 PolarHBondContact O-N 2.95Å; Q837-L842 WeakPolarHBondContact CA-O 3.16Å; Q837-L842 WeakPolarHBondContact CG-O 3.29Å; Q837-L842 PolarHBondContact O-N 3.37Å; Q837-A847 HydrophobicContact CG-CB 3.42Å; Q837-A847 VanDerWaalsContact CG-CB 3.42Å
838E67.1Low69.8Low156 Ų15654.6 Ų54.673%0.72930%0.297SS*.Hα-helixtrans-82.2-48.7-168-67.6169.3-168.200112.3P834 M840P834-E838 PolarHBondContact O-N 2.9Å; E838-M840 VanDerWaalsContact C-N 3.28Å; E838-M840 PolarHBondContact O-N 2.93Å
839C59.7Low69.7Low62 Ų6259.7 Ų59.742%0.41932%0.319SS..THydrogen-bonded Turntrans-77.8-13.1-173.6-51.70000113.8R91 T835R91-C839 PolarHBondContact NH1-O 3.34Å; R91-C839 VanDerWaalsContact NH1-O 3.12Å; T835-C839 HydrophobicContact CG2-CB 4.26Å; T835-C839 VanDerWaalsContact O-CB 3.25Å; T835-C839 WeakPolarHBondContact O-CB 3.44Å; T835-C839 PolarHBondContact O-N 3.08Å
840M74.4Confident70.1Confident23 Ų2359.1 Ų59.111%0.11332%0.316CS..THydrogen-bonded Turntrans-119.63.6-179-53.8-170.3-171.300114.7I817 F818 I823 L831 V836 E838 L842 L850I817-M840 HydrophobicContact CG2-CB 4.34Å; I817-M840 HydrophobicContact CG2-CG 4.28Å; I817-M840 HydrophobicContact CG2-SD 4.22Å; F818-M840 HydrophobicContact CE2-SD 4.28Å; F818-M840 HydrophobicContact CZ-CE 4.3Å; F818-M840 HydrophobicContact CZ-SD 4.47Å; I823-M840 HydrophobicContact CD1-CE 3.41Å; I823-M840 VanDerWaalsContact CD1-CE 3.41Å; I823-M840 HydrophobicContact CD1-SD 4.49Å; L831-M840 HydrophobicContact CD1-CE 3.61Å; L831-M840 HydrophobicContact CD2-CE 3.52Å; L831-M840 HydrophobicContact CG-CE 4.21Å; V836-M840 HydrophobicContact CG2-CE 4.42Å; E838-M840 VanDerWaalsContact C-N 3.28Å; E838-M840 PolarHBondContact O-N 2.93Å; M840-L842 HydrophobicContact CB-CD1 3.94Å; M840-L842 HydrophobicContact CB-CG 3.85Å; M840-L842 PolarHBondContact O-N 3.4Å; M840-L842 HydrophobicContact SD-CD1 4.18Å; M840-L850 HydrophobicContact SD-CD2 4.37Å
841D72.7Confident71Confident144 Ų14458.7 Ų58.777%0.7732%0.315SS*.THydrogen-bonded Turntrans49.551-173-173.228.8000113.3Q837Q837-D841 WeakPolarHBondContact O-CA 3.35Å; Q837-D841 PolarHBondContact O-N 2.95Å
842L75.9Confident71.3Confident18 Ų1863 Ų639%0.09433%0.334CS..  trans-107.1123.3-179.8-60.8178.1000111.9L814 I817 V836 Q837 M840 A847 L850L814-L842 HydrophobicContact CD1-CD1 3.93Å; L814-L842 HydrophobicContact CD1-CD2 4.45Å; L814-L842 HydrophobicContact CD2-CD2 3.77Å; I817-L842 HydrophobicContact CD1-CD2 4.06Å; V836-L842 HydrophobicContact CG1-CD1 3.8Å; V836-L842 WeakPolarHBondContact O-CB 3.33Å; Q837-L842 WeakPolarHBondContact CA-O 3.16Å; Q837-L842 WeakPolarHBondContact CG-O 3.29Å; Q837-L842 PolarHBondContact O-N 3.37Å; M840-L842 HydrophobicContact CB-CD1 3.94Å; M840-L842 HydrophobicContact CB-CG 3.85Å; M840-L842 PolarHBondContact O-N 3.4Å; M840-L842 HydrophobicContact SD-CD1 4.18Å; L842-A847 HydrophobicContact CB-CB 4.23Å; L842-L850 HydrophobicContact CD1-CD2 3.83Å
843K72.8Confident72.3Confident169 Ų16961.8 Ų61.874%0.73533%0.327SS*.  trans-59.9143.9171.8-57.2-173.2-179.2-172.80109.8G845 P846 A847K843-G845 VanDerWaalsContact C-N 3.27Å; K843-G845 PolarHBondContact O-N 2.79Å; K843-P846 WeakPolarHBondContact O-CD 3.43Å; K843-A847 PolarHBondContact O-N 3.02Å; K843-A847 VanDerWaalsContact O-N 3.07Å
844L62.8Low73.3Confident94 Ų9459.1 Ų59.149%0.49231%0.313SS..Hα-helixtrans-40.7-45.7-174.4179.764.6000114.9L833 A847 I848L833-L844 HydrophobicContact CD2-CD1 4.33Å; L844-A847 PolarHBondContact O-N 3.1Å; L844-I848 HydrophobicContact CD1-CD1 3.7Å; L844-I848 HydrophobicContact CD1-CG1 4.05Å; L844-I848 HydrophobicContact CG-CD1 3.82Å; L844-I848 VanDerWaalsContact O-CG1 3.29Å; L844-I848 WeakPolarHBondContact O-CG1 3.47Å; L844-I848 PolarHBondContact O-N 2.93Å
845G72.1Confident73.9Confident44 Ų4460.1 Ų60.145%0.45431%0.312SS..Hα-helixtrans-61.6-57.9-179.400000114.2K843 A847 K849K843-G845 VanDerWaalsContact C-N 3.27Å; K843-G845 PolarHBondContact O-N 2.79Å; G845-A847 VanDerWaalsContact C-N 3.31Å; G845-A847 PolarHBondContact O-N 3.31Å; G845-K849 PolarHBondContact O-N 3.28Å
846P77.8Confident74.7Confident62 Ų6263.2 Ų63.240%0.40332%0.322SS..Hα-helixtrans-51.7-42.2167.2-31.834.6000114.8K843 K849 L850K843-P846 WeakPolarHBondContact O-CD 3.43Å; P846-K849 PolarHBondContact O-N 3.5Å; P846-L850 PolarHBondContact O-N 3.2Å; P846-L850 VanDerWaalsContact O-N 3.14Å
847A74.7Confident74.6Confident0 Ų063.2 Ų63.20%032%0.322CS..Hα-helixtrans-63.2-50.6-178.900000112.3L833 V836 Q837 L842 K843 L844 G845 K849 L850 C851L833-A847 HydrophobicContact CD1-CB 3.7Å; V836-A847 HydrophobicContact CG1-CB 3.83Å; Q837-A847 HydrophobicContact CG-CB 3.42Å; Q837-A847 VanDerWaalsContact CG-CB 3.42Å; L842-A847 HydrophobicContact CB-CB 4.23Å; K843-A847 PolarHBondContact O-N 3.02Å; K843-A847 VanDerWaalsContact O-N 3.07Å; L844-A847 PolarHBondContact O-N 3.1Å; G845-A847 VanDerWaalsContact C-N 3.31Å; G845-A847 PolarHBondContact O-N 3.31Å; A847-K849 VanDerWaalsContact C-N 3.25Å; A847-K849 PolarHBondContact O-N 3.25Å; A847-L850 WeakPolarHBondContact O-CB 3.27Å; A847-L850 PolarHBondContact O-N 2.82Å; A847-C851 PolarHBondContact O-N 3.31Å; A847-C851 PolarHBondContact O-SG 3.02Å
848I71.6Confident74.3Confident88 Ų8863 Ų6345%0.45132%0.32SS..Hα-helixtrans-53.8-41.4176.1-70.4167.1000111.7L833 L844 H852L833-I848 HydrophobicContact CD1-CG1 3.79Å; L833-I848 HydrophobicContact CD2-CG1 3.95Å; L844-I848 HydrophobicContact CD1-CD1 3.7Å; L844-I848 HydrophobicContact CD1-CG1 4.05Å; L844-I848 HydrophobicContact CG-CD1 3.82Å; L844-I848 VanDerWaalsContact O-CG1 3.29Å; L844-I848 WeakPolarHBondContact O-CG1 3.47Å; L844-I848 PolarHBondContact O-N 2.93Å; I848-H852 WeakPolarHBondContact O-CB 3.39Å; I848-H852 PolarHBondContact O-N 2.9Å
849K79.8Confident73.8Confident106 Ų10660.5 Ų60.546%0.46131%0.311SS..Hα-helixtrans-63.8-42.4177.4-74.2-178161-146.40112.7D810 G845 P846 A847 H852 H853D810-K849 IonicContact OD2-NZ 2.68Å; D810-K849 PolarHBondContact OD2-NZ 2.79Å; G845-K849 PolarHBondContact O-N 3.28Å; P846-K849 PolarHBondContact O-N 3.5Å; A847-K849 VanDerWaalsContact C-N 3.25Å; A847-K849 PolarHBondContact O-N 3.25Å; K849-H852 PolarHBondContact O-N 3.01Å; K849-H853 PolarHBondContact O-CD2 2.84Å; K849-H853 PolarHBondContact O-N 2.86Å
850L83.1Confident74.1Confident0 Ų057.9 Ų57.90%029%0.293CS..Hα-helixtrans-67.3-46.3-179.9179.953.4000110.3I806 C811 L814 F818 V836 M840 L842 P846 A847 H852 H853 I854I806-L850 HydrophobicContact CD1-CD1 4.03Å; C811-L850 HydrophobicContact CB-CD1 4.28Å; L814-L850 HydrophobicContact CD1-CB 4.36Å; L814-L850 HydrophobicContact CD1-CD2 3.77Å; F818-L850 HydrophobicContact CE2-CD1 3.9Å; F818-L850 HydrophobicContact CE2-CD2 3.58Å; F818-L850 HydrophobicContact CE2-CG 4.31Å; F818-L850 HydrophobicContact CZ-CD1 3.7Å; F818-L850 HydrophobicContact CZ-CD2 3.71Å; F818-L850 HydrophobicContact CZ-CG 4.09Å; V836-L850 HydrophobicContact CG1-CB 4.22Å; V836-L850 HydrophobicContact CG1-CD2 3.68Å; V836-L850 HydrophobicContact CG1-CG 4.16Å; M840-L850 HydrophobicContact SD-CD2 4.37Å; L842-L850 HydrophobicContact CD1-CD2 3.83Å; P846-L850 PolarHBondContact O-N 3.2Å; P846-L850 VanDerWaalsContact O-N 3.14Å; A847-L850 WeakPolarHBondContact O-CB 3.27Å; A847-L850 PolarHBondContact O-N 2.82Å; L850-H852 VanDerWaalsContact C-N 3.29Å; L850-H852 PolarHBondContact O-N 3.44Å; L850-H853 PolarHBondContact O-N 2.93Å; L850-I854 HydrophobicContact CD1-CD1 4.32Å; L850-I854 HydrophobicContact CG-CD1 4.01Å; L850-I854 WeakPolarHBondContact O-CD1 3.35Å; L850-I854 WeakPolarHBondContact O-CG1 3.3Å; L850-I854 PolarHBondContact O-N 2.75Å
851C76.6Confident73.6Confident8 Ų857.9 Ų57.95%0.05429%0.293CS..Hα-helixtrans-56.3-40.9172.5-62.20000112.2L833 A847 H853 I854 E855L833-C851 VanDerWaalsContact CA-SG 3.55Å; A847-C851 PolarHBondContact O-N 3.31Å; A847-C851 PolarHBondContact O-SG 3.02Å; C851-H853 VanDerWaalsContact C-N 3.31Å; C851-H853 PolarHBondContact O-N 2.97Å; C851-I854 CarbonylContact O-C 3.6Å; C851-I854 WeakPolarHBondContact O-CA 3.42Å; C851-I854 WeakPolarHBondContact O-CB 3.31Å; C851-I854 PolarHBondContact O-N 3.32Å; C851-I854 VanDerWaalsContact O-N 3.13Å; C851-E855 WeakPolarHBondContact O-CB 3.48Å; C851-E855 WeakPolarHBondContact O-CG 3.49Å; C851-E855 PolarHBondContact O-N 2.89Å
852H77.9Confident72.5Confident97 Ų9758.2 Ų58.245%0.44928%0.284SS..Hα-helixtrans-63.8-31.7175.6-175.959000113.8I848 K849 L850 E855 R856I848-H852 WeakPolarHBondContact O-CB 3.39Å; I848-H852 PolarHBondContact O-N 2.9Å; K849-H852 PolarHBondContact O-N 3.01Å; L850-H852 VanDerWaalsContact C-N 3.29Å; L850-H852 PolarHBondContact O-N 3.44Å; H852-E855 IonicContact ND1-OE2 2.86Å; H852-E855 PolarHBondContact ND1-OE2 2.95Å; H852-R856 VanDerWaalsContact O-CG 3.28Å; H852-R856 WeakPolarHBondContact O-CG 3.37Å; H852-R856 PolarHBondContact O-N 3.25Å
853H84.7Confident71.3Confident20 Ų2062.6 Ų62.69%0.09330%0.304CS..Hα-helixtrans-75-37171.3-71.7-67.6000112T809 D810 K849 L850 C851 R856 V857T809-H853 HydrophobicContact CG2-CB 4.36Å; D810-H853 IonicContact OD1-CD2 2.69Å; D810-H853 IonicContact OD1-CE1 3.79Å; D810-H853 IonicContact OD1-NE2 3.67Å; D810-H853 PolarHBondContact OD1-NE2 3.42Å; K849-H853 PolarHBondContact O-CD2 2.84Å; K849-H853 PolarHBondContact O-N 2.86Å; L850-H853 PolarHBondContact O-N 2.93Å; C851-H853 VanDerWaalsContact C-N 3.31Å; C851-H853 PolarHBondContact O-N 2.97Å; H853-R856 PolarHBondContact ND1-NH1 3.39Å; H853-R856 VanDerWaalsContact ND1-NH1 3.14Å; H853-R856 WeakPolarHBondContact O-CB 3.5Å; H853-R856 PolarHBondContact O-N 3.46Å; H853-V857 WeakPolarHBondContact O-CG2 3.48Å; H853-V857 PolarHBondContact O-N 3.34Å
854I82.9Confident70.8Confident1 Ų157.6 Ų57.61%0.00528%0.283CS..Hα-helixtrans-59.6-48.5172.3-72.6152.7000111L828 L831 V836 L850 C851 R856 V857 K858L828-I854 HydrophobicContact CD1-CD1 4.48Å; L828-I854 HydrophobicContact CD1-CG1 3.68Å; L828-I854 HydrophobicContact CG-CG1 4.38Å; L828-I854 WeakPolarHBondContact O-CG2 3.29Å; L831-I854 HydrophobicContact CB-CD1 3.58Å; L831-I854 HydrophobicContact CB-CG1 4.45Å; L831-I854 HydrophobicContact CD1-CD1 3.85Å; L831-I854 HydrophobicContact CG-CD1 4.4Å; L831-I854 WeakPolarHBondContact O-CG2 3.05Å; V836-I854 HydrophobicContact CG2-CD1 4.26Å; L850-I854 HydrophobicContact CD1-CD1 4.32Å; L850-I854 HydrophobicContact CG-CD1 4.01Å; L850-I854 WeakPolarHBondContact O-CD1 3.35Å; L850-I854 WeakPolarHBondContact O-CG1 3.3Å; L850-I854 PolarHBondContact O-N 2.75Å; C851-I854 CarbonylContact O-C 3.6Å; C851-I854 WeakPolarHBondContact O-CA 3.42Å; C851-I854 WeakPolarHBondContact O-CB 3.31Å; C851-I854 PolarHBondContact O-N 3.32Å; C851-I854 VanDerWaalsContact O-N 3.13Å; I854-R856 VanDerWaalsContact C-N 3.26Å; I854-R856 PolarHBondContact O-N 3.47Å; I854-V857 CarbonylContact O-C 3.59Å; I854-V857 WeakPolarHBondContact O-CA 3.39Å; I854-V857 WeakPolarHBondContact O-CB 3.29Å; I854-V857 PolarHBondContact O-N 2.92Å; I854-K858 HydrophobicContact CG2-CD 3.99Å; I854-K858 HydrophobicContact CG2-CG 4.38Å; I854-K858 WeakPolarHBondContact O-CG 3.46Å; I854-K858 PolarHBondContact O-N 3.1Å
855E71.5Confident70.4Confident96 Ų9656.9 Ų56.945%0.44928%0.276SS..Hα-helixtrans-55.3-39.5172.8-74.4163.2-167.100112.4C851 H852 V857 K858 L859C851-E855 WeakPolarHBondContact O-CB 3.48Å; C851-E855 WeakPolarHBondContact O-CG 3.49Å; C851-E855 PolarHBondContact O-N 2.89Å; H852-E855 IonicContact ND1-OE2 2.86Å; H852-E855 PolarHBondContact ND1-OE2 2.95Å; E855-V857 VanDerWaalsContact C-N 3.33Å; E855-K858 WeakPolarHBondContact O-CB 3.23Å; E855-K858 PolarHBondContact O-N 2.99Å; E855-L859 WeakPolarHBondContact O-CB 3.31Å; E855-L859 PolarHBondContact O-N 3.43Å
856R78.3Confident68.8Low81 Ų8157.2 Ų57.231%0.30628%0.275SS..Hα-helixtrans-69.2-29.6175.4-73.3173.667.4-132.80.3112.5Q786 L788 H852 H853 I854 A860Q786-R856 PolarHBondContact O-NH2 3.05Å; L788-R856 HydrophobicContact CD2-CB 4.32Å; H852-R856 VanDerWaalsContact O-CG 3.28Å; H852-R856 WeakPolarHBondContact O-CG 3.37Å; H852-R856 PolarHBondContact O-N 3.25Å; H853-R856 PolarHBondContact ND1-NH1 3.39Å; H853-R856 VanDerWaalsContact ND1-NH1 3.14Å; H853-R856 WeakPolarHBondContact O-CB 3.5Å; H853-R856 PolarHBondContact O-N 3.46Å; I854-R856 VanDerWaalsContact C-N 3.26Å; I854-R856 PolarHBondContact O-N 3.47Å; R856-A860 WeakPolarHBondContact O-CB 3.48Å; R856-A860 PolarHBondContact O-N 2.88Å; R856-A860 VanDerWaalsContact O-N 3.13Å
857V78.5Confident66.8Low0 Ų063.2 Ų63.20%031%0.311CS..Hα-helixtrans-73.4-44.8169.9-1790000110.6L788 L790 P794 W797 F805 L828 L829 H853 I854 E855 A860 F861L788-V857 HydrophobicContact CD2-CB 4.5Å; L788-V857 HydrophobicContact CD2-CG2 3.69Å; L790-V857 HydrophobicContact CD2-CG1 4.38Å; P794-V857 HydrophobicContact CB-CG1 4.01Å; P794-V857 HydrophobicContact CG-CG1 3.68Å; W797-V857 HydrophobicContact CZ3-CG1 4.44Å; F805-V857 HydrophobicContact CD1-CG2 4.2Å; F805-V857 HydrophobicContact CE1-CG2 3.41Å; F805-V857 VanDerWaalsContact CE1-CG2 3.41Å; F805-V857 HydrophobicContact CE2-CG2 4.32Å; F805-V857 HydrophobicContact CZ-CG2 3.49Å; F805-V857 VanDerWaalsContact CZ-CG2 3.49Å; L828-V857 HydrophobicContact CD2-CG1 4.28Å; L828-V857 HydrophobicContact CD2-CG2 4.12Å; L829-V857 HydrophobicContact CD2-CB 4.46Å; L829-V857 HydrophobicContact CD2-CG1 3.87Å; L829-V857 HydrophobicContact CG-CG1 4.42Å; H853-V857 WeakPolarHBondContact O-CG2 3.48Å; H853-V857 PolarHBondContact O-N 3.34Å; I854-V857 CarbonylContact O-C 3.59Å; I854-V857 WeakPolarHBondContact O-CA 3.39Å; I854-V857 WeakPolarHBondContact O-CB 3.29Å; I854-V857 PolarHBondContact O-N 2.92Å; E855-V857 VanDerWaalsContact C-N 3.33Å; V857-A860 CarbonylContact O-C 3.54Å; V857-A860 PolarHBondContact O-N 3.29Å; V857-A860 VanDerWaalsContact O-N 3.16Å; V857-F861 WeakPolarHBondContact O-CB 3.39Å; V857-F861 PolarHBondContact O-N 3.42Å
858K64.9Low66.4Low54 Ų5466.4 Ų66.424%0.23533%0.326CS..Hα-helixtrans-51.3-59.3172.5-70.5168.2168.6171.30110.9L829 L831 I854 E855 A860 F861 Y862L829-K858 VanDerWaalsContact C-CE 3.48Å; L829-K858 VanDerWaalsContact CD2-CA 3.47Å; L829-K858 HydrophobicContact CD2-CB 4.18Å; L829-K858 HydrophobicContact CD2-CG 3.78Å; L829-K858 WeakPolarHBondContact O-CE 3.38Å; L831-K858 PolarHBondContact O-NZ 3.49Å; I854-K858 HydrophobicContact CG2-CD 3.99Å; I854-K858 HydrophobicContact CG2-CG 4.38Å; I854-K858 WeakPolarHBondContact O-CG 3.46Å; I854-K858 PolarHBondContact O-N 3.1Å; E855-K858 WeakPolarHBondContact O-CB 3.23Å; E855-K858 PolarHBondContact O-N 2.99Å; K858-A860 VanDerWaalsContact C-N 3.26Å; K858-A860 PolarHBondContact O-N 3.39Å; K858-F861 PolarHBondContact O-N 3.22Å; K858-Y862 WeakPolarHBondContact O-CD2 3.17Å; K858-Y862 PolarHBondContact O-N 3.14Å
859L56.5Low66.2Low104 Ų10465.2 Ų65.255%0.54532%0.32SS..Hα-helixtrans-58.7-34.4177.6-89158.5000113.5E855 Q863E855-L859 WeakPolarHBondContact O-CB 3.31Å; E855-L859 PolarHBondContact O-N 3.43Å; L859-Q863 VanDerWaalsContact O-CB 3.31Å; L859-Q863 WeakPolarHBondContact O-CB 3.28Å; L859-Q863 WeakPolarHBondContact O-CG 3.44Å; L859-Q863 PolarHBondContact O-N 2.68Å; L859-Q863 PolarHBondContact O-NE2 3.2Å
860A66.7Low65.4Low6 Ų662.9 Ų62.95%0.0531%0.312CS..Hα-helixtrans-74.2-41.4177.900000111.7L788 L790 R856 V857 K858 Q863 Q864L788-A860 HydrophobicContact CB-CB 4.28Å; L788-A860 HydrophobicContact CG-CB 4.37Å; L788-A860 VanDerWaalsContact O-CB 3.25Å; L788-A860 WeakPolarHBondContact O-CB 3.27Å; L790-A860 HydrophobicContact CD1-CB 3.44Å; L790-A860 VanDerWaalsContact CD1-CB 3.44Å; L790-A860 HydrophobicContact CD2-CB 4.28Å; L790-A860 HydrophobicContact CG-CB 3.8Å; R856-A860 WeakPolarHBondContact O-CB 3.48Å; R856-A860 PolarHBondContact O-N 2.88Å; R856-A860 VanDerWaalsContact O-N 3.13Å; V857-A860 CarbonylContact O-C 3.54Å; V857-A860 PolarHBondContact O-N 3.29Å; V857-A860 VanDerWaalsContact O-N 3.16Å; K858-A860 VanDerWaalsContact C-N 3.26Å; K858-A860 PolarHBondContact O-N 3.39Å; A860-Q863 PolarHBondContact O-N 3.35Å; A860-Q864 WeakPolarHBondContact O-CB 3.44Å; A860-Q864 PolarHBondContact O-N 2.85Å; A860-Q864 VanDerWaalsContact O-N 3.15Å; A860-Q864 PolarHBondContact O-NE2 2.59Å
861F65Low64.4Low23 Ų2366.6 Ų66.610%0.10133%0.33CS..Hα-helixtrans-59.2-54.5175.2162.3-113.5000111.1L790 P794 L795 L829 V857 K858 Q863 Q864 F865 A866L790-F861 HydrophobicContact CD1-CB 4.4Å; P794-F861 HydrophobicContact CG-CB 4.17Å; L795-F861 HydrophobicContact CD1-CE2 3.71Å; L795-F861 HydrophobicContact CD1-CZ 3.64Å; L795-F861 HydrophobicContact CD2-CE2 4.48Å; L795-F861 HydrophobicContact CD2-CZ 4.27Å; L795-F861 HydrophobicContact CG-CD2 4.49Å; L795-F861 HydrophobicContact CG-CE2 3.72Å; L795-F861 HydrophobicContact CG-CZ 3.9Å; L829-F861 HydrophobicContact CD1-CB 4.33Å; L829-F861 HydrophobicContact CD1-CD1 3.82Å; L829-F861 HydrophobicContact CD1-CD2 4.43Å; L829-F861 HydrophobicContact CD1-CE1 4.26Å; L829-F861 HydrophobicContact CD1-CG 3.92Å; L829-F861 HydrophobicContact CD2-CB 4.07Å; L829-F861 HydrophobicContact CD2-CD1 4.32Å; L829-F861 HydrophobicContact CD2-CG 4.42Å; V857-F861 WeakPolarHBondContact O-CB 3.39Å; V857-F861 PolarHBondContact O-N 3.42Å; K858-F861 PolarHBondContact O-N 3.22Å; F861-Q863 PolarHBondContact O-N 3.27Å; F861-Q863 VanDerWaalsContact O-N 3.17Å; F861-Q864 PolarHBondContact O-N 2.84Å; F861-F865 HydrophobicContact CD2-CB 3.93Å; F861-F865 HydrophobicContact CD2-CD2 4.15Å; F861-F865 HydrophobicContact CD2-CG 4.48Å; F861-F865 HydrophobicContact CE2-CB 3.92Å; F861-F865 PolarHBondContact O-N 3.35Å; F861-A866 HydrophobicContact CE1-CB 4.34Å; F861-A866 HydrophobicContact CZ-CB 4.15Å
862Y47.9Very low63.6Low152 Ų15270.3 Ų70.360%0.59635%0.347SS*.Hα-helixtrans-59.1-30.1177.1-71.1-66.5000113K858 A866K858-Y862 WeakPolarHBondContact O-CD2 3.17Å; K858-Y862 PolarHBondContact O-N 3.14Å; Y862-A866 HydrophobicContact CD1-CB 3.87Å
863Q52.2Low62.6Low110 Ų11068.5 Ų68.551%0.51434%0.341SS..Hα-helixtrans-81.7-10.7177-79171.558.600115.1L859 A860 F861L859-Q863 VanDerWaalsContact O-CB 3.31Å; L859-Q863 WeakPolarHBondContact O-CB 3.28Å; L859-Q863 WeakPolarHBondContact O-CG 3.44Å; L859-Q863 PolarHBondContact O-N 2.68Å; L859-Q863 PolarHBondContact O-NE2 3.2Å; A860-Q863 PolarHBondContact O-N 3.35Å; F861-Q863 PolarHBondContact O-N 3.27Å; F861-Q863 VanDerWaalsContact O-N 3.17Å
864Q62.1Low61.1Low63 Ų6372 Ų7229%0.29436%0.358SS..Hα-helixtrans-126.7-26.9-170.7-77.3160.4100.900114.7L788 C789 A860 F861L788-Q864 PolarHBondContact O-NE2 2.92Å; C789-Q864 PolarHBondContact SG-OE1 3.32Å; C789-Q864 VanDerWaalsContact SG-OE1 3.38Å; A860-Q864 WeakPolarHBondContact O-CB 3.44Å; A860-Q864 PolarHBondContact O-N 2.85Å; A860-Q864 VanDerWaalsContact O-N 3.15Å; A860-Q864 PolarHBondContact O-NE2 2.59Å; F861-Q864 PolarHBondContact O-N 2.84Å
865F53.4Low59.4Low79 Ų7977.5 Ų77.535%0.34639%0.385SS..THydrogen-bonded Turntrans-136.4-10.6-170.7-53.2-80.7000115.8L790 T792 F861L790-F865 HydrophobicContact CB-CE2 3.99Å; L790-F865 HydrophobicContact CB-CZ 4.49Å; L790-F865 HydrophobicContact CD1-CE2 4.18Å; T792-F865 WeakPolarHBondContact O-CZ 3.47Å; F861-F865 HydrophobicContact CD2-CB 3.93Å; F861-F865 HydrophobicContact CD2-CD2 4.15Å; F861-F865 HydrophobicContact CD2-CG 4.48Å; F861-F865 HydrophobicContact CE2-CB 3.92Å; F861-F865 PolarHBondContact O-N 3.35Å
866A39.8Very low58.4Low51 Ų5175.9 Ų75.942%0.42138%0.38SS..  trans-104.257.6-177.600000112.3F861 Y862F861-A866 HydrophobicContact CE1-CB 4.34Å; F861-A866 HydrophobicContact CZ-CB 4.15Å; Y862-A866 HydrophobicContact CD1-CB 3.87Å
867T35.2Very low56.6Low188 Ų18875.5 Ų75.5100%1.15339%0.387SS*.  trans-135.20-176.659.20000112.6

Retrieved 867 of 867 residues in 1532.4 ms (Link to these results)

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