A0A5K4F061_SCHMA Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A5K4F061, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 705 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
1M40.3Very low49Very low230 Ų230147.9 Ų147.9100%1.13375%0.751SS**  0-1.60-94.4168.5162.500112.6W3M1-W3 PolarHBondContact O-N 3.31Å
2D45.9Very low51.1Low130 Ų130140 Ų14070%0.69572%0.719SS**THydrogen-bonded Turntrans-866.5-171.6-66.7-12.1000117
3W49.7Very low53.1Low230 Ų230137.5 Ų137.587%0.87172%0.718SS**THydrogen-bonded Turntrans-97.4-5.1-177.6-643.6000113.6M1M1-W3 PolarHBondContact O-N 3.31Å
4M45.1Very low54.8Low162 Ų162136.5 Ų136.580%0.79871%0.713SS**SBendtrans-84.8-21.1176.7-76.3-176.369.500113.3
5D49.3Very low56.3Low125 Ų125134.1 Ų134.167%0.66870%0.7SS**G310 helixtrans-79.8-24.2-178.2-69.8-26.2000113.2F7D5-F7 VanDerWaalsContact C-N 3.3Å; D5-F7 PolarHBondContact O-N 3.48Å
6T53.3Low57.7Low105 Ų105129.7 Ų129.764%0.64468%0.68SS**G310 helixtrans-78.3-9.8-174.8-200000114.1
7F45.4Very low59Low173 Ų173125.6 Ų125.676%0.75967%0.665SS**G310 helixtrans-119.316.5-177-80.2-76.3000115.2D5 L9D5-F7 VanDerWaalsContact C-N 3.3Å; D5-F7 PolarHBondContact O-N 3.48Å; F7-L9 PolarHBondContact O-N 3.25Å
8L45Very low60.1Low143 Ų143123.1 Ų123.175%0.74965%0.651SS**  trans-79.356.4161.9-69.7170.7000110.4
9L54.1Low61.2Low127 Ų127120.6 Ų120.667%0.66564%0.641SS**  trans-59.7128.2159.6-84.2162.3000106.5F7 V11F7-L9 PolarHBondContact O-N 3.25Å; L9-V11 PolarHBondContact O-N 2.82Å
10P52.5Low62.2Low122 Ų122119.4 Ų119.479%0.79263%0.634SS**  trans-68.485.6175.827.7-31.8000107.6S12P10-S12 PolarHBondContact O-N 2.76Å
11V58.8Low63Low80 Ų80118.1 Ų118.149%0.48563%0.627SS.*  trans-63.6114.7172.1-167.90000105.1L9 L15 V16L9-V11 PolarHBondContact O-N 2.82Å; V11-L15 HydrophobicContact CG1-CB 3.99Å; V11-L15 HydrophobicContact CG1-CD2 3.95Å; V11-V16 HydrophobicContact CB-CG2 3.67Å; V11-V16 HydrophobicContact CG1-CB 4.5Å; V11-V16 HydrophobicContact CG1-CG2 3.36Å
12S74.4Confident64.8Low53 Ų53111.8 Ų111.837%0.37160%0.596SS.*  trans-56.5141.4-177.289.80000108.6P10 L14 L15 V16P10-S12 PolarHBondContact O-N 2.76Å; S12-L14 PolarHBondContact O-N 2.98Å; S12-L15 PolarHBondContact O-N 3.1Å; S12-L15 PolarHBondContact OG-N 3.21Å; S12-L15 VanDerWaalsContact OG-N 3.13Å; S12-V16 PolarHBondContact O-N 3.02Å
13P76.6Confident66.3Low108 Ų108108.9 Ų108.970%0.70158%0.583SS**Hα-helixtrans-51.7-30.2178.5-27.933.9000112.7S17P13-S17 VanDerWaalsContact O-CB 3.32Å; P13-S17 WeakPolarHBondContact O-CB 3.43Å; P13-S17 PolarHBondContact O-N 3.46Å; P13-S17 PolarHBondContact O-OG 3.19Å
14L76.8Confident67.3Low123 Ų123100 Ų10064%0.64455%0.552SS**Hα-helixtrans-67.4-45.7175.2-172.872.9000112.2S12 S17 I18S12-L14 PolarHBondContact O-N 2.98Å; L14-S17 WeakPolarHBondContact O-CB 3.25Å; L14-S17 PolarHBondContact O-N 3.25Å; L14-I18 HydrophobicContact CG-CD1 4.03Å; L14-I18 VanDerWaalsContact O-CG1 3.29Å; L14-I18 WeakPolarHBondContact O-CG1 3.43Å; L14-I18 PolarHBondContact O-N 2.89Å
15L76.6Confident68.5Low100 Ų10098.3 Ų98.352%0.52454%0.538SS..Hα-helixtrans-67.3-41.4-180-146.1109.7000110.9V11 S12 S17 I18 V19V11-L15 HydrophobicContact CG1-CB 3.99Å; V11-L15 HydrophobicContact CG1-CD2 3.95Å; S12-L15 PolarHBondContact O-N 3.1Å; S12-L15 PolarHBondContact OG-N 3.21Å; S12-L15 VanDerWaalsContact OG-N 3.13Å; L15-S17 VanDerWaalsContact C-N 3.3Å; L15-S17 PolarHBondContact O-N 3.48Å; L15-I18 PolarHBondContact O-N 2.92Å; L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 3.11Å
16V79.6Confident69.3Low64 Ų6495 Ų9539%0.38852%0.522SS..Hα-helixtrans-57.2-45.4170.9178.40000110.6V11 S12 V19 L20V11-V16 HydrophobicContact CB-CG2 3.67Å; V11-V16 HydrophobicContact CG1-CB 4.5Å; V11-V16 HydrophobicContact CG1-CG2 3.36Å; S12-V16 PolarHBondContact O-N 3.02Å; V16-V19 PolarHBondContact O-N 3.14Å; V16-L20 HydrophobicContact CG1-CD1 3.88Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 PolarHBondContact O-N 3.46Å
17S80.2Confident69.8Low60 Ų6094.1 Ų94.142%0.4251%0.513SS..Hα-helixtrans-64.5-41.6178.2-61.10000112.6P13 L14 L15 L20 I21P13-S17 VanDerWaalsContact O-CB 3.32Å; P13-S17 WeakPolarHBondContact O-CB 3.43Å; P13-S17 PolarHBondContact O-N 3.46Å; P13-S17 PolarHBondContact O-OG 3.19Å; L14-S17 WeakPolarHBondContact O-CB 3.25Å; L14-S17 PolarHBondContact O-N 3.25Å; L15-S17 VanDerWaalsContact C-N 3.3Å; L15-S17 PolarHBondContact O-N 3.48Å; S17-L20 PolarHBondContact O-N 3.49Å; S17-I21 WeakPolarHBondContact O-CB 3.49Å; S17-I21 WeakPolarHBondContact O-CD1 3.45Å; S17-I21 WeakPolarHBondContact O-CG1 3.38Å; S17-I21 PolarHBondContact O-N 3.09Å
18I78.7Confident70.6Confident80 Ų8086 Ų8641%0.4148%0.478SS..Hα-helixtrans-65.4-46.9177.8-70.2165.7000110.5L14 L15 L20 I21 I22L14-I18 HydrophobicContact CG-CD1 4.03Å; L14-I18 VanDerWaalsContact O-CG1 3.29Å; L14-I18 WeakPolarHBondContact O-CG1 3.43Å; L14-I18 PolarHBondContact O-N 2.89Å; L15-I18 PolarHBondContact O-N 2.92Å; I18-L20 VanDerWaalsContact C-N 3.33Å; I18-L20 PolarHBondContact O-N 3.1Å; I18-I21 PolarHBondContact O-N 2.71Å; I18-I22 HydrophobicContact CG2-CD1 3.75Å; I18-I22 HydrophobicContact CG2-CG1 4.39Å; I18-I22 WeakPolarHBondContact O-CG1 3.49Å; I18-I22 PolarHBondContact O-N 2.91Å
19V81.4Confident71.2Confident77 Ų7781.4 Ų81.447%0.46746%0.455SS..Hα-helixtrans-61.5-43.5177.3172.90000110.3L15 V16 I21 I22 V23L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 3.11Å; V16-V19 PolarHBondContact O-N 3.14Å; V19-I21 PolarHBondContact O-N 3.28Å; V19-I22 PolarHBondContact O-N 3.43Å; V19-V23 HydrophobicContact CG1-CG2 4.11Å; V19-V23 VanDerWaalsContact O-CB 3.31Å; V19-V23 WeakPolarHBondContact O-CB 3.5Å; V19-V23 WeakPolarHBondContact O-CG2 3.42Å; V19-V23 PolarHBondContact O-N 2.74Å
20L80.9Confident71.3Confident95 Ų9582.2 Ų82.250%0.49746%0.456SS..Hα-helixtrans-58.4-45.4173-94.1154.6000112.1V16 S17 I18 V23 I24V16-L20 HydrophobicContact CG1-CD1 3.88Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 PolarHBondContact O-N 3.46Å; S17-L20 PolarHBondContact O-N 3.49Å; I18-L20 VanDerWaalsContact C-N 3.33Å; I18-L20 PolarHBondContact O-N 3.1Å; L20-V23 PolarHBondContact O-N 3.02Å; L20-I24 HydrophobicContact CD2-CD1 4.39Å; L20-I24 WeakPolarHBondContact O-CB 3.26Å; L20-I24 WeakPolarHBondContact O-CD1 3.32Å; L20-I24 WeakPolarHBondContact O-CG1 3.42Å; L20-I24 PolarHBondContact O-N 3.28Å
21I78.7Confident71.1Confident93 Ų9385.4 Ų85.448%0.47745%0.453SS..Hα-helixtrans-62.9-43.6177.7-70.5163.1000111S17 I18 V19 Y25 I392S17-I21 WeakPolarHBondContact O-CB 3.49Å; S17-I21 WeakPolarHBondContact O-CD1 3.45Å; S17-I21 WeakPolarHBondContact O-CG1 3.38Å; S17-I21 PolarHBondContact O-N 3.09Å; I18-I21 PolarHBondContact O-N 2.71Å; V19-I21 PolarHBondContact O-N 3.28Å; I21-Y25 WeakPolarHBondContact O-CB 3.5Å; I21-Y25 PolarHBondContact O-N 3.35Å; I21-I392 HydrophobicContact CG2-CD1 4.23Å
22I77Confident70.8Confident97 Ų9783.8 Ų83.850%0.49745%0.445SS..Hα-helixtrans-65.9-46.3178.4-68168.9000110.3I18 V19 Y25 T26I18-I22 HydrophobicContact CG2-CD1 3.75Å; I18-I22 HydrophobicContact CG2-CG1 4.39Å; I18-I22 WeakPolarHBondContact O-CG1 3.49Å; I18-I22 PolarHBondContact O-N 2.91Å; V19-I22 PolarHBondContact O-N 3.43Å; I22-Y25 PolarHBondContact O-N 3.14Å; I22-T26 WeakPolarHBondContact O-CB 3.24Å; I22-T26 PolarHBondContact O-N 3.08Å; I22-T26 PolarHBondContact O-OG1 3.47Å
23V77.9Confident70.3Confident70 Ų7083.9 Ų83.942%0.42445%0.454SS..Hα-helixtrans-62.4-45.5177.8169.90000110.4V19 L20 Y25 T26 I27V19-V23 HydrophobicContact CG1-CG2 4.11Å; V19-V23 VanDerWaalsContact O-CB 3.31Å; V19-V23 WeakPolarHBondContact O-CB 3.5Å; V19-V23 WeakPolarHBondContact O-CG2 3.42Å; V19-V23 PolarHBondContact O-N 2.74Å; L20-V23 PolarHBondContact O-N 3.02Å; V23-Y25 VanDerWaalsContact C-N 3.34Å; V23-Y25 PolarHBondContact O-N 3.4Å; V23-T26 PolarHBondContact O-N 2.8Å; V23-I27 HydrophobicContact CG1-CD1 3.52Å; V23-I27 HydrophobicContact CG1-CG1 4.27Å; V23-I27 VanDerWaalsContact O-CB 3.27Å; V23-I27 WeakPolarHBondContact O-CB 3.42Å; V23-I27 WeakPolarHBondContact O-CG1 2.82Å; V23-I27 PolarHBondContact O-N 2.85Å
24I70.9Confident69.9Low43 Ų4382.5 Ų82.522%0.22144%0.439CS..Hα-helixtrans-59.9-44.8173.3-70.1164.6000110L20 T28 F395L20-I24 HydrophobicContact CD2-CD1 4.39Å; L20-I24 WeakPolarHBondContact O-CB 3.26Å; L20-I24 WeakPolarHBondContact O-CD1 3.32Å; L20-I24 WeakPolarHBondContact O-CG1 3.42Å; L20-I24 PolarHBondContact O-N 3.28Å; I24-T28 HydrophobicContact CG2-CG2 4.03Å; I24-T28 WeakPolarHBondContact O-CB 3.37Å; I24-T28 WeakPolarHBondContact O-CG2 3.19Å; I24-T28 PolarHBondContact O-N 2.85Å; I24-T28 PolarHBondContact O-OG1 3.39Å; I24-F395 HydrophobicContact CD1-CE1 4.45Å; I24-F395 HydrophobicContact CG1-CE1 4.4Å; I24-F395 HydrophobicContact CG2-CD1 3.7Å; I24-F395 HydrophobicContact CG2-CE1 3.87Å; I24-F395 HydrophobicContact CG2-CG 4.21Å; I24-F395 HydrophobicContact CG2-CZ 4.47Å
25Y69.8Low69.6Low126 Ų12678.6 Ų78.649%0.49442%0.418SS..Hα-helixtrans-62.7-48.2178.6-179.4-94.1000112I21 I22 V23 T28 T29 I392I21-Y25 WeakPolarHBondContact O-CB 3.5Å; I21-Y25 PolarHBondContact O-N 3.35Å; I22-Y25 PolarHBondContact O-N 3.14Å; V23-Y25 VanDerWaalsContact C-N 3.34Å; V23-Y25 PolarHBondContact O-N 3.4Å; Y25-T28 WeakPolarHBondContact CA-OG1 3.13Å; Y25-T28 PolarHBondContact O-N 3.44Å; Y25-T28 PolarHBondContact O-OG1 3.36Å; Y25-T28 VanDerWaalsContact O-OG1 3.07Å; Y25-T29 HydrophobicContact CD1-CG2 4.27Å; Y25-T29 HydrophobicContact CD2-CG2 4.18Å; Y25-T29 HydrophobicContact CE1-CG2 3.92Å; Y25-T29 HydrophobicContact CE2-CG2 3.83Å; Y25-T29 HydrophobicContact CG-CG2 4.39Å; Y25-T29 WeakPolarHBondContact O-CB 3.43Å; Y25-T29 VanDerWaalsContact O-CG2 3.31Å; Y25-T29 WeakPolarHBondContact O-CG2 3.47Å; Y25-T29 PolarHBondContact O-N 3.5Å; Y25-T29 PolarHBondContact O-OG1 3.01Å; Y25-I392 HydrophobicContact CD2-CD1 4.36Å; Y25-I392 HydrophobicContact CD2-CG1 4.33Å
26T66.3Low69.4Low55 Ų5583.2 Ų83.234%0.33743%0.428SS..Hα-helixtrans-63.6-47.5178.4-54.80000111.4I22 V23 T28 T29 Q30I22-T26 WeakPolarHBondContact O-CB 3.24Å; I22-T26 PolarHBondContact O-N 3.08Å; I22-T26 PolarHBondContact O-OG1 3.47Å; V23-T26 PolarHBondContact O-N 2.8Å; T26-T28 VanDerWaalsContact C-N 3.34Å; T26-T28 PolarHBondContact O-N 2.97Å; T26-T29 PolarHBondContact O-N 2.75Å; T26-T29 PolarHBondContact O-OG1 3.27Å; T26-Q30 HydrophobicContact CG2-CG 4.45Å; T26-Q30 VanDerWaalsContact O-CB 3.31Å; T26-Q30 WeakPolarHBondContact O-CB 3.15Å; T26-Q30 WeakPolarHBondContact O-CG 3.45Å; T26-Q30 PolarHBondContact O-N 2.8Å
27I64.1Low69Low87 Ų8781 Ų8145%0.44642%0.415SS..Hα-helixtrans-60.3-47.1176.5-69171.3000109.8V23 T29 Y31V23-I27 HydrophobicContact CG1-CD1 3.52Å; V23-I27 HydrophobicContact CG1-CG1 4.27Å; V23-I27 VanDerWaalsContact O-CB 3.27Å; V23-I27 WeakPolarHBondContact O-CB 3.42Å; V23-I27 WeakPolarHBondContact O-CG1 2.82Å; V23-I27 PolarHBondContact O-N 2.85Å; I27-T29 PolarHBondContact O-N 3.42Å; I27-Y31 HydrophobicContact CG2-CD2 4.37Å; I27-Y31 VanDerWaalsContact O-CB 3.32Å; I27-Y31 WeakPolarHBondContact O-CB 3.42Å; I27-Y31 WeakPolarHBondContact O-CD2 3.42Å; I27-Y31 PolarHBondContact O-N 2.86Å
28T61.9Low68.4Low4 Ų485 Ų853%0.02543%0.425CS..Hα-helixtrans-70.7-33.8-176.556.50000112.7I24 Y25 T26 C32 N390 F395I24-T28 HydrophobicContact CG2-CG2 4.03Å; I24-T28 WeakPolarHBondContact O-CB 3.37Å; I24-T28 WeakPolarHBondContact O-CG2 3.19Å; I24-T28 PolarHBondContact O-N 2.85Å; I24-T28 PolarHBondContact O-OG1 3.39Å; Y25-T28 WeakPolarHBondContact CA-OG1 3.13Å; Y25-T28 PolarHBondContact O-N 3.44Å; Y25-T28 PolarHBondContact O-OG1 3.36Å; Y25-T28 VanDerWaalsContact O-OG1 3.07Å; T26-T28 VanDerWaalsContact C-N 3.34Å; T26-T28 PolarHBondContact O-N 2.97Å; T28-C32 VanDerWaalsContact O-CB 3.24Å; T28-C32 WeakPolarHBondContact O-CB 3.35Å; T28-C32 PolarHBondContact O-SG 3.18Å; T28-N390 VanDerWaalsContact O-CB 3.24Å; T28-N390 WeakPolarHBondContact O-CB 3.47Å; T28-F395 HydrophobicContact CG2-CB 3.54Å; T28-F395 HydrophobicContact CG2-CD1 4.43Å; T28-F395 HydrophobicContact CG2-CD2 3.36Å; T28-F395 HydrophobicContact CG2-CE2 4.12Å; T28-F395 HydrophobicContact CG2-CG 3.53Å
29T59.1Low67.6Low45 Ų4589.1 Ų89.128%0.27644%0.44SS..Hα-helixtrans-77.8-34.8178.3500000113Y25 T26 I27Y25-T29 HydrophobicContact CD1-CG2 4.27Å; Y25-T29 HydrophobicContact CD2-CG2 4.18Å; Y25-T29 HydrophobicContact CE1-CG2 3.92Å; Y25-T29 HydrophobicContact CE2-CG2 3.83Å; Y25-T29 HydrophobicContact CG-CG2 4.39Å; Y25-T29 WeakPolarHBondContact O-CB 3.43Å; Y25-T29 VanDerWaalsContact O-CG2 3.31Å; Y25-T29 WeakPolarHBondContact O-CG2 3.47Å; Y25-T29 PolarHBondContact O-N 3.5Å; Y25-T29 PolarHBondContact O-OG1 3.01Å; T26-T29 PolarHBondContact O-N 2.75Å; T26-T29 PolarHBondContact O-OG1 3.27Å; I27-T29 PolarHBondContact O-N 3.42Å
30Q54.7Low66.7Low145 Ų14586.1 Ų86.168%0.67842%0.422SS*.Hα-helixtrans-84.1-32.7-179.1-71.2-174.9-26.200114T26T26-Q30 HydrophobicContact CG2-CG 4.45Å; T26-Q30 VanDerWaalsContact O-CB 3.31Å; T26-Q30 WeakPolarHBondContact O-CB 3.15Å; T26-Q30 WeakPolarHBondContact O-CG 3.45Å; T26-Q30 PolarHBondContact O-N 2.8Å
31Y48Very low66Low188 Ų18890 Ų9074%0.73744%0.437SS*.Hα-helixtrans-102.90.4-172-73.6-86.2000115.7I27I27-Y31 HydrophobicContact CG2-CD2 4.37Å; I27-Y31 VanDerWaalsContact O-CB 3.32Å; I27-Y31 WeakPolarHBondContact O-CB 3.42Å; I27-Y31 WeakPolarHBondContact O-CD2 3.42Å; I27-Y31 PolarHBondContact O-N 2.86Å
32C54.4Low65.5Low46 Ų4688.2 Ų88.231%0.31143%0.426SS..SBendtrans-106.9117.6-178.7-72.40000112.2T28 R389 N390T28-C32 VanDerWaalsContact O-CB 3.24Å; T28-C32 WeakPolarHBondContact O-CB 3.35Å; T28-C32 PolarHBondContact O-SG 3.18Å; C32-R389 WeakPolarHBondContact CB-O 3.3Å; C32-R389 PolarHBondContact SG-O 2.92Å; C32-N390 HydrophobicContact CB-CB 3.57Å
33G63.1Low65.4Low55 Ų5585.4 Ų85.457%0.56741%0.413SS*.  trans-60150.5-177.600000114.4R389G33-R389 PolarHBondContact O-N 3.22Å
34Q67.8Low65.7Low80 Ų8088.7 Ų88.737%0.37443%0.429SS..EExtended strand (participates in β ladder)trans-108.4130.3168.2-179.9-177.4-15.500107.7R36 I386 Y387Q34-R36 HydrophobicContact CG-CG 4.19Å; Q34-I386 HydrophobicContact CG-CG2 4.43Å; Q34-Y387 WeakPolarHBondContact CA-O 3.28Å
35I71.7Confident66.6Low41 Ų4190.9 Ų90.921%0.2144%0.441CS..EExtended strand (participates in β ladder)trans-87.7126.3166.2-55.5163000106.3V37 Y387 T410I35-V37 HydrophobicContact CG2-CG2 4.29Å; I35-Y387 PolarHBondContact N-O 3.27Å; I35-Y387 WeakPolarHBondContact O-CB 3.35Å; I35-Y387 PolarHBondContact O-N 2.82Å; I35-T410 HydrophobicContact CD1-CG2 3.82Å
36R71.4Confident67.7Low196 Ų19685 Ų8574%0.7442%0.418SS*.EExtended strand (participates in β ladder)trans-110.5122.9171.1-72.5-172-178.7-174.81.6108.3Q34 G385Q34-R36 HydrophobicContact CG-CG 4.19Å; R36-G385 WeakPolarHBondContact CA-O 3.4Å
37V71.1Confident69.1Low19 Ų1982.4 Ų82.412%0.11540%0.402CS..  trans-102.1138.8173-175.20000108I35 G385 Y387 P434 F453 E454I35-V37 HydrophobicContact CG2-CG2 4.29Å; V37-G385 PolarHBondContact N-O 3.1Å; V37-Y387 HydrophobicContact CB-CE2 4.25Å; V37-Y387 HydrophobicContact CG2-CD2 3.86Å; V37-Y387 HydrophobicContact CG2-CE2 3.56Å; V37-P434 HydrophobicContact CG2-CG 4.3Å; V37-F453 HydrophobicContact CB-CD2 4.4Å; V37-F453 HydrophobicContact CG1-CB 3.84Å; V37-F453 HydrophobicContact CG1-CD2 3.67Å; V37-F453 HydrophobicContact CG1-CG 4.26Å; V37-F453 HydrophobicContact CG2-CD2 3.81Å; V37-E454 WeakPolarHBondContact CG1-OE1 3.28Å
38K67.9Low70.6Confident143 Ų14381.2 Ų81.262%0.62240%0.399SS*.  trans-75.5125.4175.4-75.5-179.5176.3177.40109.4V40 E454K38-V40 PolarHBondContact O-N 3.19Å; K38-V40 VanDerWaalsContact O-N 3.14Å; K38-E454 VanDerWaalsContact C-OE1 3.27Å
39K62.4Low72.3Confident167 Ų16784.1 Ų84.173%0.72641%0.414SS*.  trans-49.9115.2178.2-167.6175.3-175.5178.80112.2E454K39-E454 WeakPolarHBondContact CA-OE1 3.18Å
40V62.4Low74Confident14 Ų1486.6 Ų86.69%0.08542%0.424CS..  trans-79.2146.9172.1-177.10000111.2K38 F42 M452 E454K38-V40 PolarHBondContact O-N 3.19Å; K38-V40 VanDerWaalsContact O-N 3.14Å; V40-F42 HydrophobicContact CG1-CD2 3.41Å; V40-F42 VanDerWaalsContact CG1-CD2 3.41Å; V40-F42 HydrophobicContact CG1-CE2 3.92Å; V40-F42 HydrophobicContact CG1-CG 4.37Å; V40-F42 PolarHBondContact O-N 2.7Å; V40-M452 HydrophobicContact CG1-CE 3.88Å; V40-M452 HydrophobicContact CG2-CE 4.41Å; V40-E454 WeakPolarHBondContact CB-OE2 3.3Å; V40-E454 VanDerWaalsContact CG2-OE2 3.28Å; V40-E454 WeakPolarHBondContact CG2-OE2 3.36Å; V40-E454 PolarHBondContact N-OE1 3.06Å
41Q65.7Low76Confident176 Ų17682.6 Ų82.682%0.82241%0.407SS*.THydrogen-bonded Turntrans-83.8-2.4-168.4-66.9-178.7-10.500115.8
42F68.1Low78.2Confident56 Ų5680.8 Ų80.825%0.24641%0.406CS..THydrogen-bonded Turntrans-106.40.5-161.9-53.1-65.6000115.8V40 D44 N45 Q46 V60 R61V40-F42 HydrophobicContact CG1-CD2 3.41Å; V40-F42 VanDerWaalsContact CG1-CD2 3.41Å; V40-F42 HydrophobicContact CG1-CE2 3.92Å; V40-F42 HydrophobicContact CG1-CG 4.37Å; V40-F42 PolarHBondContact O-N 2.7Å; F42-D44 PolarHBondContact O-N 3.31Å; F42-D44 VanDerWaalsContact O-N 3.14Å; F42-N45 CarbonylContact O-C 3.51Å; F42-N45 PolarHBondContact O-N 3.13Å; F42-Q46 VanDerWaalsContact O-CG 3.26Å; F42-Q46 WeakPolarHBondContact O-CG 3.43Å; F42-V60 HydrophobicContact CB-CG2 4.14Å; F42-V60 HydrophobicContact CD1-CB 4.23Å; F42-V60 HydrophobicContact CD1-CG2 3.57Å; F42-V60 HydrophobicContact CE1-CG2 4.23Å; F42-V60 HydrophobicContact CG-CG2 3.98Å; F42-R61 HydrophobicContact CD2-CG 3.97Å; F42-R61 HydrophobicContact CE2-CG 4.01Å; F42-R61 HydrophobicContact CG-CG 4.31Å; F42-R61 HydrophobicContact CZ-CG 4.36Å
43T74.6Confident80.1Confident37 Ų3788 Ų8823%0.22743%0.431CS..THydrogen-bonded Turntrans-60-31.6-17253.30000113.7Q46 E454 N529T43-Q46 PolarHBondContact O-NE2 2.97Å; T43-E454 HydrophobicContact CG2-CB 4.41Å; T43-N529 PolarHBondContact O-ND2 3.19Å
44D84.2Confident81.5Confident140 Ų14088.4 Ų88.475%0.74942%0.423SS*.THydrogen-bonded Turntrans-89.7-11.8-179-59.5-28.8000113.4F42F42-D44 PolarHBondContact O-N 3.31Å; F42-D44 VanDerWaalsContact O-N 3.14Å
45N90.1Very high82.8Confident89 Ų8986.1 Ų86.148%0.47642%0.421SS..  trans-147.993.8177.2-175.414000110F42 S47 V60 N529F42-N45 CarbonylContact O-C 3.51Å; F42-N45 PolarHBondContact O-N 3.13Å; N45-S47 PolarHBondContact OD1-O 3.29Å; N45-S47 VanDerWaalsContact OD1-O 3.12Å; N45-V60 VanDerWaalsContact O-CG2 3.22Å; N45-V60 WeakPolarHBondContact O-CG2 3.48Å; N45-N529 CarbonylContact C-O 3.6Å; N45-N529 WeakPolarHBondContact CA-O 3.33Å
46Q93.2Very high84Confident2 Ų284.7 Ų84.71%0.00941%0.414CS..  trans-99.4-6.8-171.5-65-162.419.800113.6F42 T43 D455 A463 I464 N529 A531F42-Q46 VanDerWaalsContact O-CG 3.26Å; F42-Q46 WeakPolarHBondContact O-CG 3.43Å; T43-Q46 PolarHBondContact O-NE2 2.97Å; Q46-D455 PolarHBondContact NE2-OD2 2.81Å; Q46-A463 HydrophobicContact CB-CB 3.76Å; Q46-A463 HydrophobicContact CG-CB 4.22Å; Q46-A463 WeakPolarHBondContact O-CA 3.45Å; Q46-A463 WeakPolarHBondContact O-CB 3.41Å; Q46-A463 VanDerWaalsContact OE1-N 3.08Å; Q46-I464 PolarHBondContact O-N 3.35Å; Q46-N529 PolarHBondContact N-O 3.34Å; Q46-N529 PolarHBondContact NE2-ND2 3.41Å; Q46-A531 HydrophobicContact CB-CB 4.3Å; Q46-A531 HydrophobicContact CG-CB 4.41Å; Q46-A531 VanDerWaalsContact OE1-CB 3.24Å
47S95.9Very high85.3Confident1 Ų177.1 Ų77.11%0.00739%0.385CS..  trans-161.9148.317163.60000112.2N45 R57 G58 G530N45-S47 PolarHBondContact OD1-O 3.29Å; N45-S47 VanDerWaalsContact OD1-O 3.12Å; S47-R57 PolarHBondContact O-NH2 2.84Å; S47-R57 VanDerWaalsContact O-NH2 3.11Å; S47-R57 VanDerWaalsContact OG-CZ 3.28Å; S47-R57 PolarHBondContact OG-NE 3.26Å; S47-R57 PolarHBondContact OG-NH2 2.88Å; S47-G58 WeakPolarHBondContact CA-O 3.39Å; S47-G58 WeakPolarHBondContact CB-O 3.36Å; S47-G530 WeakPolarHBondContact CB-O 3.47Å; S47-G530 WeakPolarHBondContact OG-CA 3.2Å; S47-G530 PolarHBondContact OG-O 3.49Å
48V95.5Very high86.5Confident61 Ų6176.2 Ų76.237%0.3738%0.38SS..EExtended strand (participates in β ladder)trans-110.6137.9-179.643.50000110I50 R57 G58 V60V48-I50 PolarHBondContact O-N 2.78Å; V48-R57 CarbonylContact O-C 3.49Å; V48-R57 WeakPolarHBondContact O-CA 3.4Å; V48-G58 WeakPolarHBondContact CG1-O 3.43Å; V48-G58 PolarHBondContact N-O 3.29Å; V48-G58 PolarHBondContact O-N 3.47Å; V48-V60 HydrophobicContact CB-CG1 4.14Å; V48-V60 HydrophobicContact CG1-CG1 4.04Å
49I96.6Very high87.8Confident66 Ų6670.5 Ų70.534%0.33836%0.358SS..EExtended strand (participates in β ladder)trans-71.8123.2170.3-59.1172.8000108.2E52 L56 R57I49-E52 HydrophobicContact CG2-CG 4.2Å; I49-L56 CarbonylContact C-O 3.59Å; I49-R57 HydrophobicContact CG1-CG 4.14Å
50I96Very high89.1Confident96 Ų9664.1 Ų64.149%0.49233%0.333SS..EExtended strand (participates in β ladder)trans-97.5-32.5178.7-61175.7000110.3V48 L56 Q469V48-I50 PolarHBondContact O-N 2.78Å; I50-L56 PolarHBondContact N-O 3.46Å; I50-Q469 HydrophobicContact CD1-CG 4.47Å
51D96.3Very high90.2Very high61 Ų6163.8 Ų63.833%0.32633%0.33SS..EExtended strand (participates in β ladder)trans-138.4110.3175.1174.113.4000109.9K53 T54 G55 L56D51-K53 VanDerWaalsContact C-N 3.25Å; D51-K53 PolarHBondContact O-N 2.82Å; D51-K53 VanDerWaalsContact OD1-CB 3.32Å; D51-K53 WeakPolarHBondContact OD1-CB 3.35Å; D51-K53 PolarHBondContact OD1-N 2.97Å; D51-T54 WeakPolarHBondContact CB-OG1 3.38Å; D51-T54 WeakPolarHBondContact OD2-CB 3.22Å; D51-T54 VanDerWaalsContact OD2-CG2 3.25Å; D51-T54 WeakPolarHBondContact OD2-CG2 3.47Å; D51-T54 PolarHBondContact OD2-OG1 3.48Å; D51-G55 CarbonylContact O-C 3.57Å; D51-G55 WeakPolarHBondContact O-CA 3.42Å; D51-G55 PolarHBondContact O-N 3.14Å; D51-L56 HydrophobicContact CB-CB 3.99Å; D51-L56 PolarHBondContact N-O 2.98Å; D51-L56 PolarHBondContact O-N 2.84Å; D51-L56 VanDerWaalsContact O-N 3.11Å
52E94.7Very high90.9Very high151 Ų15164.3 Ų64.371%0.70633%0.33SS*.THydrogen-bonded Turntrans-62.9-29.9178.9-69.8-67.6168.600112.7I49I49-E52 HydrophobicContact CG2-CG 4.2Å
53K93.5Very high91.2Very high196 Ų19665.6 Ų65.685%0.85234%0.339SS*.THydrogen-bonded Turntrans-70.4-40.9-176.8-175.4-176.3176.4-173.80111.6D51D51-K53 VanDerWaalsContact C-N 3.25Å; D51-K53 PolarHBondContact O-N 2.82Å; D51-K53 VanDerWaalsContact OD1-CB 3.32Å; D51-K53 WeakPolarHBondContact OD1-CB 3.35Å; D51-K53 PolarHBondContact OD1-N 2.97Å
54T92.7Very high90.8Very high65 Ų6567.1 Ų67.140%0.39935%0.351SS..THydrogen-bonded Turntrans-98.3-8.1-177.857.60000112.8D51 L56D51-T54 WeakPolarHBondContact CB-OG1 3.38Å; D51-T54 WeakPolarHBondContact OD2-CB 3.22Å; D51-T54 VanDerWaalsContact OD2-CG2 3.25Å; D51-T54 WeakPolarHBondContact OD2-CG2 3.47Å; D51-T54 PolarHBondContact OD2-OG1 3.48Å; T54-L56 PolarHBondContact O-N 3.43Å; T54-L56 WeakPolarHBondContact OG1-CB 3.11Å; T54-L56 PolarHBondContact OG1-N 3.01Å
55G94.8Very high89.8Confident31 Ų3161.9 Ų61.932%0.3232%0.324SS..THydrogen-bonded Turntrans65.421.2-170.800000112.8D51 R57D51-G55 CarbonylContact O-C 3.57Å; D51-G55 WeakPolarHBondContact O-CA 3.42Å; D51-G55 PolarHBondContact O-N 3.14Å; G55-R57 PolarHBondContact O-N 3.36Å
56L97.7Very high88Confident11 Ų1163.9 Ų63.96%0.05834%0.339CS..EExtended strand (participates in β ladder)trans-64.1125.8-179.6-173.468000109.4I49 I50 D51 T54 Q469 K471 F517I49-L56 CarbonylContact C-O 3.59Å; I50-L56 PolarHBondContact N-O 3.46Å; D51-L56 HydrophobicContact CB-CB 3.99Å; D51-L56 PolarHBondContact N-O 2.98Å; D51-L56 PolarHBondContact O-N 2.84Å; D51-L56 VanDerWaalsContact O-N 3.11Å; T54-L56 PolarHBondContact O-N 3.43Å; T54-L56 WeakPolarHBondContact OG1-CB 3.11Å; T54-L56 PolarHBondContact OG1-N 3.01Å; L56-Q469 HydrophobicContact CD1-CB 4.01Å; L56-Q469 HydrophobicContact CG-CB 4.43Å; L56-K471 HydrophobicContact CD1-CB 3.97Å; L56-F517 HydrophobicContact CD1-CE1 3.65Å; L56-F517 HydrophobicContact CD1-CZ 3.56Å
57R98.1Very high86.2Confident37 Ų3766.6 Ų66.614%0.1435%0.354CS..EExtended strand (participates in β ladder)trans-113.4154.2176.4-58.7-176.789.4135.2-1.4111.1S47 V48 I49 G55 I464 Q469 I470 W526S47-R57 PolarHBondContact O-NH2 2.84Å; S47-R57 VanDerWaalsContact O-NH2 3.11Å; S47-R57 VanDerWaalsContact OG-CZ 3.28Å; S47-R57 PolarHBondContact OG-NE 3.26Å; S47-R57 PolarHBondContact OG-NH2 2.88Å; V48-R57 CarbonylContact O-C 3.49Å; V48-R57 WeakPolarHBondContact O-CA 3.4Å; I49-R57 HydrophobicContact CG1-CG 4.14Å; G55-R57 PolarHBondContact O-N 3.36Å; R57-I464 HydrophobicContact CB-CD1 3.77Å; R57-Q469 CarbonylContact O-C 3.53Å; R57-Q469 VanDerWaalsContact O-CA 3.31Å; R57-Q469 WeakPolarHBondContact O-CA 3.35Å; R57-I470 PolarHBondContact N-O 3.3Å; R57-I470 PolarHBondContact O-N 3.47Å; R57-W526 HydrophobicContact CB-CH2 4.23Å; R57-W526 HydrophobicContact CB-CZ2 4.05Å; R57-W526 HydrophobicContact CG-CZ2 4.09Å
58G96.7Very high84.2Confident1 Ų171.9 Ų71.91%0.0140%0.398CS..EExtended strand (participates in β ladder)trans-141.5-174.3167.600000112.3S47 V48S47-G58 WeakPolarHBondContact CA-O 3.39Å; S47-G58 WeakPolarHBondContact CB-O 3.36Å; V48-G58 WeakPolarHBondContact CG1-O 3.43Å; V48-G58 PolarHBondContact N-O 3.29Å; V48-G58 PolarHBondContact O-N 3.47Å
59S94.1Very high82.9Confident23 Ų2376.1 Ų76.116%0.16141%0.413CS..  trans-69.1135.4-176.3176.30000112.6R61 I464 F465S59-R61 VanDerWaalsContact OG-CA 3.29Å; S59-R61 WeakPolarHBondContact OG-CA 3.43Å; S59-R61 WeakPolarHBondContact OG-CB 3.5Å; S59-R61 PolarHBondContact OG-N 3.22Å; S59-R61 PolarHBondContact OG-O 3.32Å; S59-I464 WeakPolarHBondContact CB-O 3.31Å; S59-I464 PolarHBondContact OG-O 2.71Å; S59-F465 VanDerWaalsContact CB-O 3.31Å; S59-F465 WeakPolarHBondContact CB-O 3.36Å
60V90.8Very high82.3Confident33 Ų3379.5 Ų79.520%0.243%0.428CS..SBendtrans-73.2-17.2163-66.20000112.3F42 N45 V48F42-V60 HydrophobicContact CB-CG2 4.14Å; F42-V60 HydrophobicContact CD1-CB 4.23Å; F42-V60 HydrophobicContact CD1-CG2 3.57Å; F42-V60 HydrophobicContact CE1-CG2 4.23Å; F42-V60 HydrophobicContact CG-CG2 3.98Å; N45-V60 VanDerWaalsContact O-CG2 3.22Å; N45-V60 WeakPolarHBondContact O-CG2 3.48Å; V48-V60 HydrophobicContact CB-CG1 4.14Å; V48-V60 HydrophobicContact CG1-CG1 4.04Å
61R85.7Confident82.1Confident7 Ų775.4 Ų75.43%0.02641%0.408CS..SBendtrans-88.9145.3-178.1-45.3178.7-80.3176.1-15110.1F42 S59 E286 A463 I464 F465 P466F42-R61 HydrophobicContact CD2-CG 3.97Å; F42-R61 HydrophobicContact CE2-CG 4.01Å; F42-R61 HydrophobicContact CG-CG 4.31Å; F42-R61 HydrophobicContact CZ-CG 4.36Å; S59-R61 VanDerWaalsContact OG-CA 3.29Å; S59-R61 WeakPolarHBondContact OG-CA 3.43Å; S59-R61 WeakPolarHBondContact OG-CB 3.5Å; S59-R61 PolarHBondContact OG-N 3.22Å; S59-R61 PolarHBondContact OG-O 3.32Å; R61-E286 VanDerWaalsContact CD-OE2 3.25Å; R61-E286 WeakPolarHBondContact CD-OE2 3.49Å; R61-E286 IonicContact CZ-OE2 3.95Å; R61-E286 IonicContact NE-OE2 2.71Å; R61-E286 IonicContact NH1-OE2 2.74Å; R61-E286 PolarHBondContact NH1-OE2 3.33Å; R61-A463 PolarHBondContact NH2-O 3.31Å; R61-I464 PolarHBondContact NE-O 3.5Å; R61-I464 VanDerWaalsContact NE-O 3.1Å; R61-I464 PolarHBondContact NH2-O 3.37Å; R61-F465 VanDerWaalsContact NH2-CA 3.34Å; R61-P466 HydrophobicContact CB-CG 4.01Å
62K80.5Confident81.8Confident187 Ų18778.1 Ų78.181%0.81342%0.417SS*.  trans-111.4141.5174.9-64.6-177.3-180-179.60109S64K62-S64 PolarHBondContact O-N 3.33Å
63L74.2Confident81.8Confident83 Ų8371.1 Ų71.144%0.43538%0.384SS..  trans-59.8124.6171.2-85.2136.9000109.8K278 P466L63-K278 HydrophobicContact CD2-CB 4.28Å; L63-P466 HydrophobicContact CB-CB 4.43Å; L63-P466 HydrophobicContact CD1-CB 3.67Å; L63-P466 HydrophobicContact CG-CB 3.57Å; L63-P466 HydrophobicContact CG-CG 4.21Å
64S66Low81.8Confident68 Ų6861.8 Ų61.848%0.47634%0.344SS..  trans-80.9-23.1171.843.70000113.1K62 T66 E285K62-S64 PolarHBondContact O-N 3.33Å; S64-T66 PolarHBondContact O-N 3.18Å; S64-E285 PolarHBondContact OG-OE2 2.93Å
65V62.4Low82Confident30 Ų3059 Ų5918%0.18233%0.326CS..  trans-75.1111.8-167.4-173.60000111.3I281V65-I281 HydrophobicContact CG2-CG2 3.94Å
66T53.1Low82Confident132 Ų13259 Ų5981%0.8132%0.318SS*.  trans-120.481.7163.257.50000108.1S64S64-T66 PolarHBondContact O-N 3.18Å
67D55.5Low81.9Confident59 Ų5958.6 Ų58.632%0.31632%0.317SS..  trans-62.5141.5167.7-74.6-39.3000108.7E69D67-E69 WeakPolarHBondContact CB-O 3.47Å; D67-E69 PolarHBondContact O-N 3.44Å
68A53.9Low81.9Confident112 Ų11256.9 Ų56.993%0.92631%0.31SS*.SBendtrans-64.1-29179.200000112.6
69E68.3Low81.9Confident149 Ų14959.4 Ų59.470%0.69632%0.321SS*.SBendtrans-127.1123.7169.9-71.5-178.4163.200108.6D67 P71D67-E69 WeakPolarHBondContact CB-O 3.47Å; D67-E69 PolarHBondContact O-N 3.44Å; E69-P71 WeakPolarHBondContact O-CD 3.33Å
70E83.9Confident82Confident137 Ų13759.7 Ų59.764%0.6432%0.32SS*.  trans-71.9121.6179-170.9168-160.800109.9K72 K278E70-K72 PolarHBondContact O-N 3.01Å; E70-K278 IonicContact OE1-NZ 3.04Å; E70-K278 PolarHBondContact OE1-NZ 3.25Å
71P90.9Very high82.3Confident11 Ų1158.1 Ų58.17%0.07131%0.311CS..  trans-61138.6177.724.9-33.3000109.9E69 D76 L77 L274E69-P71 WeakPolarHBondContact O-CD 3.33Å; P71-D76 HydrophobicContact CB-CB 3.73Å; P71-L77 HydrophobicContact CB-CD2 4.03Å; P71-L77 HydrophobicContact CB-CG 4.32Å; P71-L77 HydrophobicContact CG-CD2 3.81Å; P71-L274 HydrophobicContact CB-CD2 4.1Å; P71-L274 HydrophobicContact CG-CD2 4.18Å; P71-L274 WeakPolarHBondContact O-CD1 3.47Å
72K91.3Very high82.9Confident118 Ų11858.8 Ų58.851%0.51332%0.315SS..  trans-101.7-15-179.5-64.4-171.2175-170.70113.2E70 D76 V244 L274E70-K72 PolarHBondContact O-N 3.01Å; K72-D76 WeakPolarHBondContact CA-OD2 3.24Å; K72-D76 PolarHBondContact N-OD2 3.28Å; K72-V244 HydrophobicContact CB-CG1 4.27Å; K72-V244 HydrophobicContact CD-CG1 3.88Å; K72-L274 VanDerWaalsContact C-CD1 3.41Å; K72-L274 WeakPolarHBondContact O-CD1 3.44Å
73S93.5Very high83.7Confident4 Ų458.5 Ų58.53%0.02831%0.308CS..SBendtrans-149.6159.3179.866.60000112.3F75 D76 L77 S151S73-F75 PolarHBondContact O-N 2.83Å; S73-F75 VanDerWaalsContact O-N 3.14Å; S73-F75 PolarHBondContact OG-N 2.78Å; S73-D76 PolarHBondContact N-OD2 3.25Å; S73-D76 WeakPolarHBondContact O-CB 3.48Å; S73-D76 PolarHBondContact O-N 3.05Å; S73-D76 PolarHBondContact OG-N 3.04Å; S73-D76 PolarHBondContact OG-OD2 3.36Å; S73-D76 VanDerWaalsContact OG-OD2 3.06Å; S73-L77 PolarHBondContact O-N 3.38Å; S73-S151 WeakPolarHBondContact CB-OG 3.47Å
74P93.9Very high84.7Confident0 Ų059.6 Ų59.60%031%0.31CS..Hα-helixtrans-50.9-29.6167.2-27.533000114.4D76 L77 F78 S151 F251 N270 Y273 I312P74-D76 VanDerWaalsContact C-N 3.34Å; P74-L77 WeakPolarHBondContact O-CB 3.31Å; P74-L77 PolarHBondContact O-N 2.88Å; P74-F78 PolarHBondContact O-N 3.05Å; P74-S151 WeakPolarHBondContact CB-OG 3.41Å; P74-S151 WeakPolarHBondContact CD-OG 3.33Å; P74-F251 HydrophobicContact CB-CE1 4.48Å; P74-F251 HydrophobicContact CB-CE2 4.44Å; P74-F251 HydrophobicContact CB-CZ 4.15Å; P74-F251 HydrophobicContact CG-CD1 3.93Å; P74-F251 HydrophobicContact CG-CD2 4.09Å; P74-F251 HydrophobicContact CG-CE1 3.75Å; P74-F251 HydrophobicContact CG-CE2 3.95Å; P74-F251 HydrophobicContact CG-CG 4.09Å; P74-F251 HydrophobicContact CG-CZ 3.76Å; P74-N270 WeakPolarHBondContact CD-OD1 3.24Å; P74-Y273 HydrophobicContact CB-CD1 4.41Å; P74-Y273 HydrophobicContact CB-CE1 4.19Å; P74-Y273 HydrophobicContact CG-CD1 3.66Å; P74-Y273 HydrophobicContact CG-CE1 3.88Å; P74-Y273 HydrophobicContact CG-CG 4.34Å; P74-I312 HydrophobicContact CB-CD1 4.43Å
75F96.6Very high86.2Confident6 Ų656.8 Ų56.83%0.02629%0.29CS..Hα-helixtrans-67.7-31.8174.4-177.3-120.3000112.9S73 L77 F78 K79 Y110 I113 S151 A152 V242S73-F75 PolarHBondContact O-N 2.83Å; S73-F75 VanDerWaalsContact O-N 3.14Å; S73-F75 PolarHBondContact OG-N 2.78Å; F75-L77 VanDerWaalsContact C-N 3.34Å; F75-F78 HydrophobicContact CD2-CD1 4.16Å; F75-F78 HydrophobicContact CE2-CD1 4.08Å; F75-F78 WeakPolarHBondContact O-CB 3.44Å; F75-F78 PolarHBondContact O-N 3.13Å; F75-K79 HydrophobicContact CD1-CD 4.35Å; F75-K79 HydrophobicContact CE1-CD 4.03Å; F75-K79 HydrophobicContact CE1-CG 4.38Å; F75-K79 HydrophobicContact CZ-CD 4.47Å; F75-K79 HydrophobicContact CZ-CG 4.45Å; F75-K79 WeakPolarHBondContact O-CG 3.25Å; F75-K79 PolarHBondContact O-N 2.8Å; F75-Y110 HydrophobicContact CE1-CE2 4.49Å; F75-Y110 HydrophobicContact CE2-CD2 4.06Å; F75-Y110 HydrophobicContact CE2-CE2 4.11Å; F75-Y110 AromaticContact CZ-CD2 3.99Å; F75-Y110 HydrophobicContact CZ-CD2 3.99Å; F75-Y110 AromaticContact CZ-CE2 3.56Å; F75-Y110 HydrophobicContact CZ-CE2 3.56Å; F75-I113 HydrophobicContact CD2-CG2 4.06Å; F75-I113 HydrophobicContact CE2-CB 4.42Å; F75-I113 HydrophobicContact CE2-CD1 4.27Å; F75-I113 HydrophobicContact CE2-CG2 3.6Å; F75-I113 HydrophobicContact CZ-CG2 4.35Å; F75-S151 WeakPolarHBondContact CB-OG 3.38Å; F75-S151 PolarHBondContact N-OG 3.24Å; F75-A152 HydrophobicContact CB-CB 4.06Å; F75-A152 HydrophobicContact CD1-CB 3.62Å; F75-A152 HydrophobicContact CD2-CB 3.76Å; F75-A152 HydrophobicContact CE1-CB 3.85Å; F75-A152 HydrophobicContact CE2-CB 3.99Å; F75-A152 HydrophobicContact CG-CB 3.55Å; F75-A152 HydrophobicContact CZ-CB 3.98Å; F75-V242 HydrophobicContact CE1-CG1 3.93Å; F75-V242 HydrophobicContact CZ-CG1 4.33Å
76D95.3Very high87.8Confident30 Ų3060.2 Ų60.216%0.1630%0.303CS..Hα-helixtrans-66.1-39171.7-61.9-46.5000111.5P71 K72 S73 P74 F78 K79 I80P71-D76 HydrophobicContact CB-CB 3.73Å; K72-D76 WeakPolarHBondContact CA-OD2 3.24Å; K72-D76 PolarHBondContact N-OD2 3.28Å; S73-D76 PolarHBondContact N-OD2 3.25Å; S73-D76 WeakPolarHBondContact O-CB 3.48Å; S73-D76 PolarHBondContact O-N 3.05Å; S73-D76 PolarHBondContact OG-N 3.04Å; S73-D76 PolarHBondContact OG-OD2 3.36Å; S73-D76 VanDerWaalsContact OG-OD2 3.06Å; P74-D76 VanDerWaalsContact C-N 3.34Å; D76-F78 VanDerWaalsContact C-N 3.33Å; D76-F78 PolarHBondContact O-N 3.19Å; D76-K79 PolarHBondContact O-N 3.14Å; D76-K79 WeakPolarHBondContact OD1-CE 3.32Å; D76-K79 IonicContact OD1-NZ 2.6Å; D76-K79 PolarHBondContact OD1-NZ 3.25Å; D76-I80 WeakPolarHBondContact O-CG1 3.19Å; D76-I80 PolarHBondContact O-N 3.37Å
77L95.3Very high90Very high4 Ų460 Ų602%0.02130%0.297CS..Hα-helixtrans-61.8-41.4172.6-62.3173.1000111.5P71 S73 P74 F75 I80 G81 L274 V277 I312 Y316P71-L77 HydrophobicContact CB-CD2 4.03Å; P71-L77 HydrophobicContact CB-CG 4.32Å; P71-L77 HydrophobicContact CG-CD2 3.81Å; S73-L77 PolarHBondContact O-N 3.38Å; P74-L77 WeakPolarHBondContact O-CB 3.31Å; P74-L77 PolarHBondContact O-N 2.88Å; F75-L77 VanDerWaalsContact C-N 3.34Å; L77-I80 PolarHBondContact O-N 2.97Å; L77-G81 PolarHBondContact O-N 3.3Å; L77-G81 VanDerWaalsContact O-N 3.15Å; L77-L274 HydrophobicContact CD1-CD2 3.61Å; L77-L274 HydrophobicContact CD2-CD2 4.38Å; L77-L274 HydrophobicContact CG-CD2 3.85Å; L77-V277 HydrophobicContact CD1-CB 3.93Å; L77-V277 HydrophobicContact CD1-CG1 3.71Å; L77-V277 HydrophobicContact CD1-CG2 3.87Å; L77-V277 HydrophobicContact CD2-CG1 4.44Å; L77-I312 HydrophobicContact CB-CD1 4.19Å; L77-I312 HydrophobicContact CB-CG1 4.2Å; L77-I312 HydrophobicContact CD1-CG1 3.84Å; L77-Y316 HydrophobicContact CB-CD2 4.45Å; L77-Y316 HydrophobicContact CD2-CD2 3.8Å; L77-Y316 HydrophobicContact CD2-CE2 4.24Å
78F97.6Very high92Very high0 Ų063 Ų630%031%0.306CS..Hα-helixtrans-59.6-46.2171.6171.7-89.3000111.8P74 F75 D76 I80 G81 L82 Y106 V109 Y110 I113 L148 I315P74-F78 PolarHBondContact O-N 3.05Å; F75-F78 HydrophobicContact CD2-CD1 4.16Å; F75-F78 HydrophobicContact CE2-CD1 4.08Å; F75-F78 WeakPolarHBondContact O-CB 3.44Å; F75-F78 PolarHBondContact O-N 3.13Å; D76-F78 VanDerWaalsContact C-N 3.33Å; D76-F78 PolarHBondContact O-N 3.19Å; F78-I80 VanDerWaalsContact C-N 3.26Å; F78-I80 PolarHBondContact O-N 3.19Å; F78-G81 CarbonylContact O-C 3.47Å; F78-G81 WeakPolarHBondContact O-CA 3.47Å; F78-G81 PolarHBondContact O-N 3.29Å; F78-L82 HydrophobicContact CE1-CB 4.25Å; F78-L82 HydrophobicContact CE1-CD2 4.32Å; F78-L82 PolarHBondContact O-N 3.28Å; F78-Y106 AromaticContact CE2-CD1 3.9Å; F78-Y106 HydrophobicContact CE2-CD1 3.9Å; F78-Y106 HydrophobicContact CE2-CE1 4.35Å; F78-Y106 HydrophobicContact CZ-CD1 4.23Å; F78-V109 HydrophobicContact CD2-CG1 4.45Å; F78-V109 HydrophobicContact CE2-CB 4.09Å; F78-V109 HydrophobicContact CE2-CG1 3.47Å; F78-V109 VanDerWaalsContact CE2-CG1 3.47Å; F78-V109 HydrophobicContact CZ-CB 4.03Å; F78-V109 HydrophobicContact CZ-CG1 3.71Å; F78-Y110 HydrophobicContact CD1-CD2 4.44Å; F78-Y110 AromaticContact CE1-CD2 3.8Å; F78-Y110 HydrophobicContact CE1-CD2 3.8Å; F78-Y110 HydrophobicContact CE1-CG 4.2Å; F78-I113 HydrophobicContact CD1-CD1 4.07Å; F78-I113 HydrophobicContact CD2-CD1 4.3Å; F78-I113 HydrophobicContact CE1-CD1 3.93Å; F78-I113 HydrophobicContact CE2-CD1 4.17Å; F78-I113 HydrophobicContact CG-CD1 4.27Å; F78-I113 HydrophobicContact CZ-CD1 3.98Å; F78-L148 HydrophobicContact CB-CD1 4.36Å; F78-L148 HydrophobicContact CB-CD2 4.26Å; F78-L148 HydrophobicContact CD2-CD1 3.68Å; F78-L148 HydrophobicContact CE2-CD1 4.34Å; F78-L148 HydrophobicContact CG-CD1 4.13Å; F78-I315 HydrophobicContact CB-CG2 4.07Å; F78-I315 HydrophobicContact CD2-CG2 3.56Å; F78-I315 HydrophobicContact CE2-CG2 4.44Å; F78-I315 HydrophobicContact CG-CG2 4.25Å
79K97.3Very high94.1Very high55 Ų5562.4 Ų62.424%0.23928%0.283CS..Hα-helixtrans-60.7-33.9177.3-74.4-176.5-61.3-178.20112.6F75 D76 L82 R83 Y110F75-K79 HydrophobicContact CD1-CD 4.35Å; F75-K79 HydrophobicContact CE1-CD 4.03Å; F75-K79 HydrophobicContact CE1-CG 4.38Å; F75-K79 HydrophobicContact CZ-CD 4.47Å; F75-K79 HydrophobicContact CZ-CG 4.45Å; F75-K79 WeakPolarHBondContact O-CG 3.25Å; F75-K79 PolarHBondContact O-N 2.8Å; D76-K79 PolarHBondContact O-N 3.14Å; D76-K79 WeakPolarHBondContact OD1-CE 3.32Å; D76-K79 IonicContact OD1-NZ 2.6Å; D76-K79 PolarHBondContact OD1-NZ 3.25Å; K79-L82 WeakPolarHBondContact O-CB 3.33Å; K79-L82 PolarHBondContact O-N 3.25Å; K79-R83 WeakPolarHBondContact O-CG 3.36Å; K79-R83 PolarHBondContact O-N 3.09Å; K79-Y110 HydrophobicContact CG-CE2 4.44Å
80I95.8Very high95.6Very high29 Ų2955.3 Ų55.315%0.14925%0.25CS..Hα-helixtrans-63.8-46.2172.9-67.4166.6000110.4D76 L77 F78 R83 K84 Y316D76-I80 WeakPolarHBondContact O-CG1 3.19Å; D76-I80 PolarHBondContact O-N 3.37Å; L77-I80 PolarHBondContact O-N 2.97Å; F78-I80 VanDerWaalsContact C-N 3.26Å; F78-I80 PolarHBondContact O-N 3.19Å; I80-R83 PolarHBondContact O-N 3.42Å; I80-K84 WeakPolarHBondContact O-CG 3.49Å; I80-K84 PolarHBondContact O-N 3.21Å; I80-Y316 HydrophobicContact CB-CD2 4.18Å; I80-Y316 HydrophobicContact CB-CE2 4.28Å; I80-Y316 HydrophobicContact CD1-CD2 4.33Å; I80-Y316 HydrophobicContact CD1-CE2 3.98Å; I80-Y316 HydrophobicContact CG2-CD2 3.89Å; I80-Y316 HydrophobicContact CG2-CE2 3.67Å
81G96.8Very high96.3Very high0 Ų048.8 Ų48.80%022%0.22CC..Hα-helixtrans-59-45173.200000113L77 F78 R83 K84 S85 I315L77-G81 PolarHBondContact O-N 3.3Å; L77-G81 VanDerWaalsContact O-N 3.15Å; F78-G81 CarbonylContact O-C 3.47Å; F78-G81 WeakPolarHBondContact O-CA 3.47Å; F78-G81 PolarHBondContact O-N 3.29Å; G81-R83 PolarHBondContact O-N 2.94Å; G81-K84 WeakPolarHBondContact O-CB 3.31Å; G81-K84 PolarHBondContact O-N 3.2Å; G81-K84 VanDerWaalsContact O-N 3.09Å; G81-S85 PolarHBondContact O-N 3.01Å; G81-I315 VanDerWaalsContact CA-O 3.31Å; G81-I315 WeakPolarHBondContact CA-O 3.41Å
82L98Very high96.7Very high21 Ų2148.3 Ų48.311%0.1122%0.216CC..Hα-helixtrans-56.4-44.8175.4173.969.4000111.9F78 K79 K84 S85 K86 Y106 Y110F78-L82 HydrophobicContact CE1-CB 4.25Å; F78-L82 HydrophobicContact CE1-CD2 4.32Å; F78-L82 PolarHBondContact O-N 3.28Å; K79-L82 WeakPolarHBondContact O-CB 3.33Å; K79-L82 PolarHBondContact O-N 3.25Å; L82-K84 VanDerWaalsContact C-N 3.25Å; L82-K84 PolarHBondContact O-N 3.36Å; L82-S85 PolarHBondContact O-N 3.06Å; L82-K86 HydrophobicContact CD1-CB 4.4Å; L82-K86 HydrophobicContact CD1-CG 4.06Å; L82-K86 WeakPolarHBondContact O-CA 3.4Å; L82-K86 WeakPolarHBondContact O-CB 3.42Å; L82-K86 PolarHBondContact O-N 3.04Å; L82-Y106 HydrophobicContact CB-CD1 4.33Å; L82-Y110 HydrophobicContact CD2-CD1 3.98Å; L82-Y110 HydrophobicContact CD2-CD2 3.83Å; L82-Y110 HydrophobicContact CD2-CE1 4.43Å; L82-Y110 HydrophobicContact CD2-CE2 4.28Å; L82-Y110 HydrophobicContact CD2-CG 3.65Å
83R97.6Very high96.9Very high180 Ų18045.1 Ų45.168%0.67920%0.203SC*.Hα-helixtrans-61.9-32.8177.3-71.3171.8-167.5165.90.4112.6K79 I80 G81K79-R83 WeakPolarHBondContact O-CG 3.36Å; K79-R83 PolarHBondContact O-N 3.09Å; I80-R83 PolarHBondContact O-N 3.42Å; G81-R83 PolarHBondContact O-N 2.94Å
84K95.1Very high96.9Very high107 Ų10745.7 Ų45.747%0.46520%0.204SC..Hα-helixtrans-79.7-34.1179.1-64.6171.5-175.5172.70112.8I80 G81 L82 Y316I80-K84 WeakPolarHBondContact O-CG 3.49Å; I80-K84 PolarHBondContact O-N 3.21Å; G81-K84 WeakPolarHBondContact O-CB 3.31Å; G81-K84 PolarHBondContact O-N 3.2Å; G81-K84 VanDerWaalsContact O-N 3.09Å; L82-K84 VanDerWaalsContact C-N 3.25Å; L82-K84 PolarHBondContact O-N 3.36Å; K84-Y316 PolarHBondContact NZ-O 3.14Å
85S97.3Very high96.8Very high8 Ų854 Ų546%0.05624%0.243CC..Hα-helixtrans-13729-162.2-73.90000113.7G81 L82 D87 K88 Y106 G318G81-S85 PolarHBondContact O-N 3.01Å; L82-S85 PolarHBondContact O-N 3.06Å; S85-D87 PolarHBondContact O-N 2.96Å; S85-D87 VanDerWaalsContact O-N 3.17Å; S85-K88 WeakPolarHBondContact O-CB 3.13Å; S85-K88 PolarHBondContact O-N 2.83Å; S85-Y106 VanDerWaalsContact O-CD2 3.29Å; S85-Y106 WeakPolarHBondContact O-CD2 3.31Å; S85-G318 VanDerWaalsContact OG-CA 3.26Å; S85-G318 WeakPolarHBondContact OG-CA 3.26Å; S85-G318 PolarHBondContact OG-O 3.08Å
86K97.7Very high96.6Very high103 Ų10355.4 Ų55.445%0.44825%0.253SS..THydrogen-bonded Turntrans-42.3-55.9-171.7-173-176.2178.8-171.70114.5L82 Y106 D107L82-K86 HydrophobicContact CD1-CB 4.4Å; L82-K86 HydrophobicContact CD1-CG 4.06Å; L82-K86 WeakPolarHBondContact O-CA 3.4Å; L82-K86 WeakPolarHBondContact O-CB 3.42Å; L82-K86 PolarHBondContact O-N 3.04Å; K86-Y106 WeakPolarHBondContact O-CB 3.48Å; K86-Y106 PolarHBondContact O-N 2.76Å; K86-D107 WeakPolarHBondContact CE-OD1 3.46Å; K86-D107 HydrophobicContact CG-CB 4.02Å; K86-D107 IonicContact NZ-OD1 3.03Å; K86-D107 PolarHBondContact O-N 2.95Å; K86-D107 VanDerWaalsContact O-N 3.09Å
87D98.1Very high96.5Very high128 Ų12857.6 Ų57.668%0.68426%0.262SS*.THydrogen-bonded Turntrans-92.13.6-175.5-50.4-51.5000113S85S85-D87 PolarHBondContact O-N 2.96Å; S85-D87 VanDerWaalsContact O-N 3.17Å
88K98.2Very high96.5Very high120 Ų12062.9 Ų62.952%0.52230%0.299SS..SBendtrans-89.5158.1178-60.2-174.4179.1176.70110.8S85 C90 T105 Y106S85-K88 WeakPolarHBondContact O-CB 3.13Å; S85-K88 PolarHBondContact O-N 2.83Å; K88-C90 PolarHBondContact O-N 2.65Å; K88-T105 CarbonylContact O-C 3.56Å; K88-T105 WeakPolarHBondContact O-CA 3.5Å; K88-T105 WeakPolarHBondContact O-CB 3.32Å; K88-Y106 PolarHBondContact O-N 3.37Å; K88-Y106 VanDerWaalsContact O-N 3.11Å
89F98.5Very high96.4Very high100 Ų10064.5 Ų64.544%0.43931%0.311SS..EExtended strand (participates in β ladder)trans-61.8133.7175.9-59.6-37.5000112W103 R320F89-W103 HydrophobicContact CB-CB 4.04Å; F89-W103 HydrophobicContact CB-CD2 3.99Å; F89-W103 HydrophobicContact CB-CE3 3.76Å; F89-W103 HydrophobicContact CB-CG 4.14Å; F89-W103 HydrophobicContact CD1-CB 3.34Å; F89-W103 HydrophobicContact CD1-CG 4.02Å; F89-W103 HydrophobicContact CD2-CB 4.11Å; F89-W103 HydrophobicContact CD2-CD2 4.16Å; F89-W103 AromaticContact CD2-CG 3.86Å; F89-W103 HydrophobicContact CD2-CG 3.86Å; F89-W103 HydrophobicContact CE1-CB 3.71Å; F89-W103 HydrophobicContact CE1-CG 4.38Å; F89-W103 HydrophobicContact CE2-CB 4.42Å; F89-W103 HydrophobicContact CE2-CG 4.24Å; F89-W103 HydrophobicContact CG-CB 3.57Å; F89-W103 HydrophobicContact CG-CD2 4.07Å; F89-W103 HydrophobicContact CG-CE3 4.35Å; F89-W103 AromaticContact CG-CG 3.75Å; F89-W103 HydrophobicContact CG-CG 3.75Å; F89-W103 HydrophobicContact CZ-CB 4.24Å; F89-W103 HydrophobicContact CZ-CG 4.48Å; F89-R320 HydrophobicContact CB-CB 4.47Å; F89-R320 WeakPolarHBondContact O-CB 3.37Å
90C98.8Very high96.3Very high0 Ų067.3 Ų67.30%033%0.334CS..EExtended strand (participates in β ladder)trans-109.9-58.6177.5-172.90000110.8K88 I104 Y106 V109 R320 I321K88-C90 PolarHBondContact O-N 2.65Å; C90-I104 PolarHBondContact N-O 3.23Å; C90-Y106 HydrophobicContact CB-CD1 4.34Å; C90-Y106 HydrophobicContact CB-CD2 3.51Å; C90-Y106 HydrophobicContact CB-CE2 3.72Å; C90-Y106 HydrophobicContact CB-CG 3.84Å; C90-V109 HydrophobicContact CB-CG2 4.02Å; C90-R320 CarbonylContact O-C 3.51Å; C90-R320 WeakPolarHBondContact O-CA 3.34Å; C90-I321 PolarHBondContact O-N 2.88Å
91L98.8Very high96.3Very high1 Ų168 Ų681%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-124.6135.4-174.5-54.3177.8000110.2W103 I104 V109 P141 V144 I145 I321 F323L91-W103 WeakPolarHBondContact O-CA 3.29Å; L91-I104 HydrophobicContact CB-CD1 4.17Å; L91-I104 HydrophobicContact CB-CG1 3.89Å; L91-I104 HydrophobicContact CD1-CD1 4.4Å; L91-I104 PolarHBondContact N-O 2.94Å; L91-I104 WeakPolarHBondContact O-CG1 3.39Å; L91-I104 PolarHBondContact O-N 3.24Å; L91-V109 HydrophobicContact CD1-CG1 4.34Å; L91-V109 HydrophobicContact CD1-CG2 3.83Å; L91-V109 HydrophobicContact CG-CG2 4.03Å; L91-P141 HydrophobicContact CB-CB 3.97Å; L91-P141 HydrophobicContact CB-CG 4.21Å; L91-P141 HydrophobicContact CD1-CB 4.05Å; L91-V144 HydrophobicContact CD1-CB 4.06Å; L91-V144 HydrophobicContact CD1-CG1 4.07Å; L91-V144 HydrophobicContact CD2-CG1 4.34Å; L91-I145 HydrophobicContact CD1-CG1 4.38Å; L91-I321 CarbonylContact C-O 3.42Å; L91-I321 WeakPolarHBondContact CA-O 3.5Å; L91-I321 HydrophobicContact CD2-CB 4.08Å; L91-I321 HydrophobicContact CD2-CD1 4.37Å; L91-F323 HydrophobicContact CB-CE2 4.08Å; L91-F323 HydrophobicContact CD2-CE2 3.97Å; L91-F323 HydrophobicContact CD2-CZ 4.17Å; L91-F323 HydrophobicContact CG-CE2 4.49Å
92G98.4Very high96.4Very high0 Ų075.8 Ų75.80%037%0.371CS..EExtended strand (participates in β ladder)trans-137.2132.3-175.600000113.5K102 I321 G322 F323G92-K102 WeakPolarHBondContact CA-O 3.45Å; G92-I321 PolarHBondContact N-O 3.08Å; G92-G322 CarbonylContact O-C 3.58Å; G92-G322 WeakPolarHBondContact O-CA 3.44Å; G92-F323 WeakPolarHBondContact O-CD2 3.23Å; G92-F323 PolarHBondContact O-N 2.99Å
93K96.7Very high96.4Very high52 Ų5277.1 Ų77.123%0.22638%0.375CS..EExtended strand (participates in β ladder)trans-144.6152176.4-175179172.8-167.40109.3K102 P141 E207 F323K93-K102 PolarHBondContact N-O 3.14Å; K93-K102 PolarHBondContact O-N 3.49Å; K93-P141 HydrophobicContact CB-CG 4.04Å; K93-E207 IonicContact NZ-OE1 2.77Å; K93-E207 PolarHBondContact NZ-OE1 2.8Å; K93-F323 HydrophobicContact CB-CB 4.39Å; K93-F323 HydrophobicContact CG-CB 4.4Å
94R93.7Very high96.4Very high15 Ų1569.5 Ų69.56%0.05735%0.348CS..  trans-119.8156.5168.265.5-177.2173.4-163-28.1110.4S96 F97 I101 T325 D334 D337R94-S96 VanDerWaalsContact CD-O 3.29Å; R94-S96 WeakPolarHBondContact CD-O 3.48Å; R94-F97 VanDerWaalsContact CZ-CE1 3.44Å; R94-I101 HydrophobicContact CB-CG1 4.44Å; R94-T325 HydrophobicContact CG-CG2 3.75Å; R94-T325 WeakPolarHBondContact CG-OG1 3.37Å; R94-T325 PolarHBondContact NE-OG1 2.94Å; R94-D334 IonicContact CZ-OD1 4Å; R94-D334 IonicContact NE-OD1 2.94Å; R94-D334 IonicContact NH2-OD1 3.2Å; R94-D334 PolarHBondContact NH2-OD1 2.87Å; R94-D337 IonicContact CZ-OD2 2.75Å; R94-D337 IonicContact NH1-OD2 2.62Å; R94-D337 PolarHBondContact NH1-OD2 2.93Å; R94-D337 IonicContact NH2-OD2 3.82Å; R94-D337 PolarHBondContact NH2-OD2 3.09Å
95Q90.3Very high96.6Very high175 Ų17565.7 Ų65.782%0.81833%0.334SS*.SBendtrans-80.1-33.8178.5-173.5-179.7900112.4
96S93.8Very high96.7Very high35 Ų3565.3 Ų65.325%0.24533%0.331CS..SBendtrans-154.7163.2179.673.30000109.8R94 S98 S99R94-S96 VanDerWaalsContact CD-O 3.29Å; R94-S96 WeakPolarHBondContact CD-O 3.48Å; S96-S98 PolarHBondContact O-N 2.85Å; S96-S98 PolarHBondContact OG-N 3.27Å; S96-S98 PolarHBondContact OG-OG 2.97Å; S96-S99 WeakPolarHBondContact O-CB 2.95Å; S96-S99 PolarHBondContact O-N 3.49Å; S96-S99 PolarHBondContact OG-N 3.42Å; S96-S99 PolarHBondContact OG-OG 3.06Å
97F93.7Very high96.7Very high77 Ų7763.5 Ų63.534%0.33833%0.326SS..THydrogen-bonded Turntrans-62.2-20.4174.1-77.4-87.5000114.1R94 T325 D333R94-F97 VanDerWaalsContact CZ-CE1 3.44Å; F97-T325 HydrophobicContact CD2-CG2 3.98Å; F97-T325 HydrophobicContact CE2-CG2 3.86Å; F97-T325 HydrophobicContact CZ-CG2 4.48Å; F97-D333 HydrophobicContact CD1-CB 4.19Å; F97-D333 HydrophobicContact CE1-CB 3.31Å; F97-D333 HydrophobicContact CZ-CB 3.82Å
98S94.2Very high96.8Very high115 Ų11561.6 Ų61.680%0.80431%0.313SS*.THydrogen-bonded Turntrans-82.8-12.4172.245.50000114.2S96S96-S98 PolarHBondContact O-N 2.85Å; S96-S98 PolarHBondContact OG-N 3.27Å; S96-S98 PolarHBondContact OG-OG 2.97Å
99S94.6Very high96.8Very high34 Ų3456 Ų5624%0.23829%0.289CS..SBendtrans-96.4147-178.5-53.60000111.1S96S96-S99 WeakPolarHBondContact O-CB 2.95Å; S96-S99 PolarHBondContact O-N 3.49Å; S96-S99 PolarHBondContact OG-N 3.42Å; S96-S99 PolarHBondContact OG-OG 3.06Å
100P95.5Very high96.8Very high113 Ų11354.3 Ų54.373%0.73428%0.28SS*.PPolyproline II helixtrans-64.5153.8171.429-34.8000111.1K102P100-K102 PolarHBondContact O-N 3.21Å
101I97.1Very high96.8Very high44 Ų4457.3 Ų57.323%0.22629%0.294CS..PPolyproline II helixtrans-68.5121.8171.6-56.9167.6000108.7R94 W103 D337 F338R94-I101 HydrophobicContact CB-CG1 4.44Å; I101-W103 HydrophobicContact CG2-CD2 4.2Å; I101-W103 HydrophobicContact CG2-CG 4.32Å; I101-W103 HydrophobicContact CG2-CZ2 4.01Å; I101-W103 VanDerWaalsContact CG2-NE1 3.32Å; I101-D337 HydrophobicContact CD1-CB 4.38Å; I101-F338 HydrophobicContact CD1-CD1 3.96Å; I101-F338 HydrophobicContact CD1-CE1 3.8Å; I101-F338 HydrophobicContact CD1-CG 4.46Å; I101-F338 HydrophobicContact CD1-CZ 4.15Å; I101-F338 HydrophobicContact CG1-CE1 4.32Å; I101-F338 HydrophobicContact CG1-CZ 4.37Å; I101-F338 HydrophobicContact CG2-CE1 3.65Å; I101-F338 HydrophobicContact CG2-CZ 4.06Å
102K97.6Very high96.8Very high163 Ų16360.4 Ų60.471%0.70931%0.307SS*.EExtended strand (participates in β ladder)trans-89.6113.7172.4-173.6176.8-179.5178.90108.6G92 K93 P100G92-K102 WeakPolarHBondContact CA-O 3.45Å; K93-K102 PolarHBondContact N-O 3.14Å; K93-K102 PolarHBondContact O-N 3.49Å; P100-K102 PolarHBondContact O-N 3.21Å
103W98.4Very high96.8Very high49 Ų4960.4 Ų60.419%0.18631%0.307CS..EExtended strand (participates in β ladder)trans-98.2147.3174.2-66.595.1000110.6F89 L91 I101 R320 F338F89-W103 HydrophobicContact CB-CB 4.04Å; F89-W103 HydrophobicContact CB-CD2 3.99Å; F89-W103 HydrophobicContact CB-CE3 3.76Å; F89-W103 HydrophobicContact CB-CG 4.14Å; F89-W103 HydrophobicContact CD1-CB 3.34Å; F89-W103 HydrophobicContact CD1-CG 4.02Å; F89-W103 HydrophobicContact CD2-CB 4.11Å; F89-W103 HydrophobicContact CD2-CD2 4.16Å; F89-W103 AromaticContact CD2-CG 3.86Å; F89-W103 HydrophobicContact CD2-CG 3.86Å; F89-W103 HydrophobicContact CE1-CB 3.71Å; F89-W103 HydrophobicContact CE1-CG 4.38Å; F89-W103 HydrophobicContact CE2-CB 4.42Å; F89-W103 HydrophobicContact CE2-CG 4.24Å; F89-W103 HydrophobicContact CG-CB 3.57Å; F89-W103 HydrophobicContact CG-CD2 4.07Å; F89-W103 HydrophobicContact CG-CE3 4.35Å; F89-W103 AromaticContact CG-CG 3.75Å; F89-W103 HydrophobicContact CG-CG 3.75Å; F89-W103 HydrophobicContact CZ-CB 4.24Å; F89-W103 HydrophobicContact CZ-CG 4.48Å; L91-W103 WeakPolarHBondContact O-CA 3.29Å; I101-W103 HydrophobicContact CG2-CD2 4.2Å; I101-W103 HydrophobicContact CG2-CG 4.32Å; I101-W103 HydrophobicContact CG2-CZ2 4.01Å; I101-W103 VanDerWaalsContact CG2-NE1 3.32Å; W103-R320 HydrophobicContact CE3-CB 4.42Å; W103-R320 HydrophobicContact CH2-CB 4.17Å; W103-R320 HydrophobicContact CH2-CG 3.98Å; W103-R320 HydrophobicContact CZ3-CB 3.72Å; W103-R320 HydrophobicContact CZ3-CG 4.05Å; W103-F338 AromaticContact CH2-CD1 3.73Å; W103-F338 HydrophobicContact CH2-CD1 3.73Å; W103-F338 AromaticContact CH2-CE1 3.79Å; W103-F338 HydrophobicContact CH2-CE1 3.79Å; W103-F338 AromaticContact CZ2-CD1 3.63Å; W103-F338 HydrophobicContact CZ2-CD1 3.63Å; W103-F338 AromaticContact CZ2-CE1 3.67Å; W103-F338 HydrophobicContact CZ2-CE1 3.67Å
104I98.6Very high96.9Very high21 Ų2158.8 Ų58.811%0.10830%0.301CS..EExtended strand (participates in β ladder)trans-118.4142.9165.656.5174.9000109.6C90 L91 E108 V109 P141 I145C90-I104 PolarHBondContact N-O 3.23Å; L91-I104 HydrophobicContact CB-CD1 4.17Å; L91-I104 HydrophobicContact CB-CG1 3.89Å; L91-I104 HydrophobicContact CD1-CD1 4.4Å; L91-I104 PolarHBondContact N-O 2.94Å; L91-I104 WeakPolarHBondContact O-CG1 3.39Å; L91-I104 PolarHBondContact O-N 3.24Å; I104-E108 VanDerWaalsContact CA-OE2 3.23Å; I104-E108 WeakPolarHBondContact CA-OE2 3.07Å; I104-E108 HydrophobicContact CB-CB 4.24Å; I104-V109 HydrophobicContact CD1-CG2 3.52Å; I104-V109 HydrophobicContact CG1-CG2 3.78Å; I104-P141 HydrophobicContact CD1-CB 4.34Å; I104-I145 HydrophobicContact CD1-CD1 4.16Å
105T98.8Very high97.1Very high27 Ų2758.9 Ų58.917%0.16630%0.302CS..EExtended strand (participates in β ladder)trans-77.4167.8-178.167.80000112.2K88 D107 E108 V109K88-T105 CarbonylContact O-C 3.56Å; K88-T105 WeakPolarHBondContact O-CA 3.5Å; K88-T105 WeakPolarHBondContact O-CB 3.32Å; T105-D107 VanDerWaalsContact C-N 3.27Å; T105-D107 PolarHBondContact O-N 3.23Å; T105-D107 PolarHBondContact OG1-N 3.15Å; T105-E108 PolarHBondContact N-OE2 3.22Å; T105-E108 PolarHBondContact O-N 3.11Å; T105-E108 WeakPolarHBondContact OG1-CG 3.25Å; T105-E108 PolarHBondContact OG1-N 2.71Å; T105-E108 PolarHBondContact OG1-OE2 2.98Å; T105-V109 VanDerWaalsContact O-CG2 3.28Å; T105-V109 WeakPolarHBondContact O-CG2 3.32Å; T105-V109 PolarHBondContact O-N 3.37Å
106Y98.8Very high97.5Very high0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-58.6-39.5171.2-85.9-97.2000112.1F78 L82 S85 K86 K88 C90 V109 Y110 I315 G318 G319F78-Y106 AromaticContact CE2-CD1 3.9Å; F78-Y106 HydrophobicContact CE2-CD1 3.9Å; F78-Y106 HydrophobicContact CE2-CE1 4.35Å; F78-Y106 HydrophobicContact CZ-CD1 4.23Å; L82-Y106 HydrophobicContact CB-CD1 4.33Å; S85-Y106 VanDerWaalsContact O-CD2 3.29Å; S85-Y106 WeakPolarHBondContact O-CD2 3.31Å; K86-Y106 WeakPolarHBondContact O-CB 3.48Å; K86-Y106 PolarHBondContact O-N 2.76Å; K88-Y106 PolarHBondContact O-N 3.37Å; K88-Y106 VanDerWaalsContact O-N 3.11Å; C90-Y106 HydrophobicContact CB-CD1 4.34Å; C90-Y106 HydrophobicContact CB-CD2 3.51Å; C90-Y106 HydrophobicContact CB-CE2 3.72Å; C90-Y106 HydrophobicContact CB-CG 3.84Å; Y106-V109 PolarHBondContact O-N 3.37Å; Y106-Y110 WeakPolarHBondContact O-CB 3.41Å; Y106-Y110 PolarHBondContact O-N 2.95Å; Y106-I315 HydrophobicContact CE1-CG2 4.1Å; Y106-I315 WeakPolarHBondContact OH-CA 3.45Å; Y106-I315 PolarHBondContact OH-O 2.98Å; Y106-G318 WeakPolarHBondContact OH-CA 3.38Å; Y106-G319 WeakPolarHBondContact CE2-O 3.3Å; Y106-G319 PolarHBondContact OH-N 2.93Å; Y106-G319 VanDerWaalsContact OH-N 3.14Å; Y106-G319 PolarHBondContact OH-O 3.49Å
107D98.8Very high97.7Very high64 Ų6448.9 Ų48.934%0.34225%0.251SS..Hα-helixtrans-63.6-43.2177.9-158.450.7000112K86 T105 V109 Y110 E111K86-D107 WeakPolarHBondContact CE-OD1 3.46Å; K86-D107 HydrophobicContact CG-CB 4.02Å; K86-D107 IonicContact NZ-OD1 3.03Å; K86-D107 PolarHBondContact O-N 2.95Å; K86-D107 VanDerWaalsContact O-N 3.09Å; T105-D107 VanDerWaalsContact C-N 3.27Å; T105-D107 PolarHBondContact O-N 3.23Å; T105-D107 PolarHBondContact OG1-N 3.15Å; D107-V109 PolarHBondContact O-N 3.38Å; D107-Y110 WeakPolarHBondContact O-CB 3.48Å; D107-Y110 PolarHBondContact O-N 3.34Å; D107-E111 PolarHBondContact O-N 2.96Å
108E98.8Very high98Very high89 Ų8945.2 Ų45.242%0.41624%0.235SC..Hα-helixtrans-64.8-39.8175.4-69.9176.7111.300112.2I104 T105 E111 K112I104-E108 VanDerWaalsContact CA-OE2 3.23Å; I104-E108 WeakPolarHBondContact CA-OE2 3.07Å; I104-E108 HydrophobicContact CB-CB 4.24Å; T105-E108 PolarHBondContact N-OE2 3.22Å; T105-E108 PolarHBondContact O-N 3.11Å; T105-E108 WeakPolarHBondContact OG1-CG 3.25Å; T105-E108 PolarHBondContact OG1-N 2.71Å; T105-E108 PolarHBondContact OG1-OE2 2.98Å; E108-E111 PolarHBondContact O-N 2.84Å; E108-K112 WeakPolarHBondContact O-CB 3.28Å; E108-K112 VanDerWaalsContact O-CG 3.28Å; E108-K112 WeakPolarHBondContact O-CG 3.49Å; E108-K112 PolarHBondContact O-N 3.29Å
109V98.8Very high98.2Very high1 Ų140 Ų401%0.00620%0.199CC..Hα-helixtrans-64.1-44.1174.9173.30000110.5F78 C90 L91 I104 T105 Y106 D107 E111 K112 I113 I145F78-V109 HydrophobicContact CD2-CG1 4.45Å; F78-V109 HydrophobicContact CE2-CB 4.09Å; F78-V109 HydrophobicContact CE2-CG1 3.47Å; F78-V109 VanDerWaalsContact CE2-CG1 3.47Å; F78-V109 HydrophobicContact CZ-CB 4.03Å; F78-V109 HydrophobicContact CZ-CG1 3.71Å; C90-V109 HydrophobicContact CB-CG2 4.02Å; L91-V109 HydrophobicContact CD1-CG1 4.34Å; L91-V109 HydrophobicContact CD1-CG2 3.83Å; L91-V109 HydrophobicContact CG-CG2 4.03Å; I104-V109 HydrophobicContact CD1-CG2 3.52Å; I104-V109 HydrophobicContact CG1-CG2 3.78Å; T105-V109 VanDerWaalsContact O-CG2 3.28Å; T105-V109 WeakPolarHBondContact O-CG2 3.32Å; T105-V109 PolarHBondContact O-N 3.37Å; Y106-V109 PolarHBondContact O-N 3.37Å; D107-V109 PolarHBondContact O-N 3.38Å; V109-E111 VanDerWaalsContact C-N 3.32Å; V109-E111 PolarHBondContact O-N 2.98Å; V109-K112 PolarHBondContact O-N 3.47Å; V109-I113 HydrophobicContact CG1-CD1 3.77Å; V109-I113 HydrophobicContact CG1-CG1 4.33Å; V109-I113 WeakPolarHBondContact O-CD1 3.43Å; V109-I113 VanDerWaalsContact O-CG1 3.24Å; V109-I113 WeakPolarHBondContact O-CG1 3.41Å; V109-I113 PolarHBondContact O-N 3.44Å; V109-I145 HydrophobicContact CG1-CG1 4.21Å
110Y98.7Very high98.3Very high66 Ų6638.4 Ų38.426%0.25919%0.188SC..Hα-helixtrans-59-43.1178178.7-120.1000112.2F75 F78 K79 L82 Y106 D107 Q114F75-Y110 HydrophobicContact CE1-CE2 4.49Å; F75-Y110 HydrophobicContact CE2-CD2 4.06Å; F75-Y110 HydrophobicContact CE2-CE2 4.11Å; F75-Y110 AromaticContact CZ-CD2 3.99Å; F75-Y110 HydrophobicContact CZ-CD2 3.99Å; F75-Y110 AromaticContact CZ-CE2 3.56Å; F75-Y110 HydrophobicContact CZ-CE2 3.56Å; F78-Y110 HydrophobicContact CD1-CD2 4.44Å; F78-Y110 AromaticContact CE1-CD2 3.8Å; F78-Y110 HydrophobicContact CE1-CD2 3.8Å; F78-Y110 HydrophobicContact CE1-CG 4.2Å; K79-Y110 HydrophobicContact CG-CE2 4.44Å; L82-Y110 HydrophobicContact CD2-CD1 3.98Å; L82-Y110 HydrophobicContact CD2-CD2 3.83Å; L82-Y110 HydrophobicContact CD2-CE1 4.43Å; L82-Y110 HydrophobicContact CD2-CE2 4.28Å; L82-Y110 HydrophobicContact CD2-CG 3.65Å; Y106-Y110 WeakPolarHBondContact O-CB 3.41Å; Y106-Y110 PolarHBondContact O-N 2.95Å; D107-Y110 WeakPolarHBondContact O-CB 3.48Å; D107-Y110 PolarHBondContact O-N 3.34Å; Y110-Q114 VanDerWaalsContact CD1-NE2 3.3Å; Y110-Q114 PolarHBondContact O-N 3.05Å; Y110-Q114 PolarHBondContact O-NE2 2.88Å
111E98.6Very high98.4Very high63 Ų6335.2 Ų35.229%0.29417%0.166SC..Hα-helixtrans-65.3-48.8176.4-175.660.4-170.100110.6D107 E108 V109 I113 Q114 L115 R239D107-E111 PolarHBondContact O-N 2.96Å; E108-E111 PolarHBondContact O-N 2.84Å; V109-E111 VanDerWaalsContact C-N 3.32Å; V109-E111 PolarHBondContact O-N 2.98Å; E111-I113 VanDerWaalsContact C-N 3.29Å; E111-I113 PolarHBondContact O-N 3.12Å; E111-Q114 PolarHBondContact O-N 3.49Å; E111-L115 HydrophobicContact CG-CD1 4.04Å; E111-L115 HydrophobicContact CG-CG 4.25Å; E111-L115 WeakPolarHBondContact O-CG 3.46Å; E111-L115 PolarHBondContact O-N 2.77Å; E111-R239 VanDerWaalsContact CD-NH1 3.32Å; E111-R239 IonicContact OE1-CZ 3.84Å; E111-R239 IonicContact OE1-NH1 2.68Å; E111-R239 PolarHBondContact OE1-NH1 2.7Å; E111-R239 IonicContact OE1-NH2 2.72Å; E111-R239 IonicContact OE2-CZ 2.8Å; E111-R239 IonicContact OE2-NH1 3.74Å; E111-R239 PolarHBondContact OE2-NH1 3Å; E111-R239 VanDerWaalsContact OE2-NH1 3.14Å; E111-R239 IonicContact OE2-NH2 3.14Å; E111-R239 PolarHBondContact OE2-NH2 3Å
112K98.8Very high98.5Very high65 Ų6535.1 Ų35.128%0.28317%0.168SC..Hα-helixtrans-60-35.9179.1-71.5179.2-175.5-590113.4E108 V109 Q114 F116 I145 L232E108-K112 WeakPolarHBondContact O-CB 3.28Å; E108-K112 VanDerWaalsContact O-CG 3.28Å; E108-K112 WeakPolarHBondContact O-CG 3.49Å; E108-K112 PolarHBondContact O-N 3.29Å; V109-K112 PolarHBondContact O-N 3.47Å; K112-Q114 VanDerWaalsContact C-N 3.34Å; K112-F116 WeakPolarHBondContact O-CB 3.45Å; K112-F116 PolarHBondContact O-N 3.13Å; K112-I145 HydrophobicContact CB-CD1 4.01Å; K112-I145 HydrophobicContact CB-CG1 4.5Å; K112-I145 HydrophobicContact CB-CG2 3.96Å; K112-I145 HydrophobicContact CD-CD1 3.83Å; K112-L232 HydrophobicContact CB-CD2 4.19Å; K112-L232 HydrophobicContact CD-CD1 4.26Å; K112-L232 HydrophobicContact CG-CD1 3.99Å; K112-L232 HydrophobicContact CG-CD2 4.34Å
113I98.6Very high98.4Very high0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-58.9-46.2174.1-72.7162.2000110.9F75 F78 V109 E111 G117 I145 L148 A149 A152F75-I113 HydrophobicContact CD2-CG2 4.06Å; F75-I113 HydrophobicContact CE2-CB 4.42Å; F75-I113 HydrophobicContact CE2-CD1 4.27Å; F75-I113 HydrophobicContact CE2-CG2 3.6Å; F75-I113 HydrophobicContact CZ-CG2 4.35Å; F78-I113 HydrophobicContact CD1-CD1 4.07Å; F78-I113 HydrophobicContact CD2-CD1 4.3Å; F78-I113 HydrophobicContact CE1-CD1 3.93Å; F78-I113 HydrophobicContact CE2-CD1 4.17Å; F78-I113 HydrophobicContact CG-CD1 4.27Å; F78-I113 HydrophobicContact CZ-CD1 3.98Å; V109-I113 HydrophobicContact CG1-CD1 3.77Å; V109-I113 HydrophobicContact CG1-CG1 4.33Å; V109-I113 WeakPolarHBondContact O-CD1 3.43Å; V109-I113 VanDerWaalsContact O-CG1 3.24Å; V109-I113 WeakPolarHBondContact O-CG1 3.41Å; V109-I113 PolarHBondContact O-N 3.44Å; E111-I113 VanDerWaalsContact C-N 3.29Å; E111-I113 PolarHBondContact O-N 3.12Å; I113-G117 PolarHBondContact O-N 2.88Å; I113-I145 HydrophobicContact CG1-CG2 4.12Å; I113-L148 HydrophobicContact CD1-CB 3.57Å; I113-L148 HydrophobicContact CD1-CD1 3.73Å; I113-L148 HydrophobicContact CD1-CG 4.31Å; I113-L148 HydrophobicContact CG1-CB 3.83Å; I113-A149 HydrophobicContact CG2-CB 4.27Å; I113-A152 HydrophobicContact CG2-CB 3.98Å
114Q98.5Very high98.3Very high19 Ų1926.1 Ų26.19%0.08913%0.131CC..Hα-helixtrans-71-42.5-177.8-70.617188.500112.2Y110 E111 K112 S118 Y153Y110-Q114 VanDerWaalsContact CD1-NE2 3.3Å; Y110-Q114 PolarHBondContact O-N 3.05Å; Y110-Q114 PolarHBondContact O-NE2 2.88Å; E111-Q114 PolarHBondContact O-N 3.49Å; K112-Q114 VanDerWaalsContact C-N 3.34Å; Q114-S118 VanDerWaalsContact O-CB 3.3Å; Q114-S118 WeakPolarHBondContact O-CB 3.38Å; Q114-S118 PolarHBondContact O-N 2.93Å; Q114-S118 PolarHBondContact O-OG 3.48Å; Q114-Y153 WeakPolarHBondContact CA-OH 3.48Å; Q114-Y153 PolarHBondContact O-OH 3.05Å; Q114-Y153 VanDerWaalsContact O-OH 3.1Å
115L98.8Very high98.1Very high16 Ų1627.7 Ų27.78%0.08415%0.152CC..Hα-helixtrans-63.4-51.9177-60.6-175.8000110.6E111 G117 S118 S119 L232 G235 Y236E111-L115 HydrophobicContact CG-CD1 4.04Å; E111-L115 HydrophobicContact CG-CG 4.25Å; E111-L115 WeakPolarHBondContact O-CG 3.46Å; E111-L115 PolarHBondContact O-N 2.77Å; L115-G117 PolarHBondContact O-N 3.04Å; L115-S118 PolarHBondContact O-N 3.12Å; L115-S119 PolarHBondContact O-N 3.31Å; L115-S119 VanDerWaalsContact O-N 3.08Å; L115-S119 PolarHBondContact O-OG 2.95Å; L115-L232 HydrophobicContact CB-CB 4.39Å; L115-L232 HydrophobicContact CB-CD2 3.94Å; L115-L232 HydrophobicContact CD1-CB 4.42Å; L115-G235 VanDerWaalsContact O-CA 3.26Å; L115-G235 WeakPolarHBondContact O-CA 3.44Å; L115-Y236 HydrophobicContact CD2-CD2 4.29Å
116F98.7Very high97.9Very high0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-60.2-48.1178.8-170.7-91.5000111.3K112 S118 S119 V120 I145 T146 A149 V182 I204 F228 M231 L232K112-F116 WeakPolarHBondContact O-CB 3.45Å; K112-F116 PolarHBondContact O-N 3.13Å; F116-S118 PolarHBondContact O-N 3Å; F116-S119 PolarHBondContact O-N 3Å; F116-S119 PolarHBondContact O-OG 2.99Å; F116-V120 HydrophobicContact CD1-CG2 4.01Å; F116-V120 HydrophobicContact CE1-CG2 3.57Å; F116-V120 HydrophobicContact CE2-CG2 4.46Å; F116-V120 HydrophobicContact CZ-CG2 3.83Å; F116-V120 WeakPolarHBondContact O-CG2 3.32Å; F116-V120 PolarHBondContact O-N 3.41Å; F116-I145 HydrophobicContact CB-CG2 4.43Å; F116-T146 HydrophobicContact CE1-CG2 3.81Å; F116-T146 HydrophobicContact CZ-CG2 4.19Å; F116-A149 HydrophobicContact CD1-CB 3.83Å; F116-V182 HydrophobicContact CZ-CG2 3.99Å; F116-I204 HydrophobicContact CE2-CD1 4.48Å; F116-I204 HydrophobicContact CE2-CG2 4.12Å; F116-I204 HydrophobicContact CZ-CD1 4.12Å; F116-I204 HydrophobicContact CZ-CG2 4.49Å; F116-F228 AromaticContact CD2-CD2 3.97Å; F116-F228 HydrophobicContact CD2-CD2 3.97Å; F116-F228 HydrophobicContact CD2-CE1 4.23Å; F116-F228 AromaticContact CD2-CE2 3.54Å; F116-F228 HydrophobicContact CD2-CE2 3.54Å; F116-F228 HydrophobicContact CD2-CG 4.49Å; F116-F228 AromaticContact CD2-CZ 3.67Å; F116-F228 HydrophobicContact CD2-CZ 3.67Å; F116-F228 AromaticContact CE2-CD2 3.62Å; F116-F228 HydrophobicContact CE2-CD2 3.62Å; F116-F228 AromaticContact CE2-CE2 3.46Å; F116-F228 HydrophobicContact CE2-CE2 3.46Å; F116-F228 VanDerWaalsContact CE2-CE2 3.46Å; F116-F228 HydrophobicContact CE2-CG 4.39Å; F116-F228 HydrophobicContact CE2-CZ 4.11Å; F116-F228 HydrophobicContact CG-CE2 4.27Å; F116-F228 HydrophobicContact CG-CZ 4.19Å; F116-F228 HydrophobicContact CZ-CD2 4.48Å; F116-F228 HydrophobicContact CZ-CE2 4.16Å; F116-M231 HydrophobicContact CD2-CB 3.98Å; F116-M231 HydrophobicContact CE2-CB 4.05Å; F116-M231 HydrophobicContact CE2-CG 4.36Å; F116-L232 HydrophobicContact CB-CD2 3.9Å
117G98.3Very high97.6Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-58-46.617800000113.5I113 L115 S119 V120 T121 Y153I113-G117 PolarHBondContact O-N 2.88Å; L115-G117 PolarHBondContact O-N 3.04Å; G117-S119 VanDerWaalsContact C-N 3.34Å; G117-S119 PolarHBondContact O-N 3.31Å; G117-V120 PolarHBondContact O-N 3.49Å; G117-T121 PolarHBondContact O-N 2.9Å; G117-T121 PolarHBondContact O-OG1 3.35Å; G117-T121 VanDerWaalsContact O-OG1 3.05Å; G117-Y153 VanDerWaalsContact CA-CD2 3.49Å
118S98.6Very high97.2Very high0 Ų034.2 Ų34.20%019%0.19CC..Hα-helixtrans-59.9-43178-57.60000112.6Q114 L115 F116 T122 Y153 N238 L240Q114-S118 VanDerWaalsContact O-CB 3.3Å; Q114-S118 WeakPolarHBondContact O-CB 3.38Å; Q114-S118 PolarHBondContact O-N 2.93Å; Q114-S118 PolarHBondContact O-OG 3.48Å; L115-S118 PolarHBondContact O-N 3.12Å; F116-S118 PolarHBondContact O-N 3Å; S118-T122 PolarHBondContact O-N 3.13Å; S118-T122 VanDerWaalsContact O-N 3.09Å; S118-T122 PolarHBondContact O-OG1 2.83Å; S118-Y153 PolarHBondContact OG-OH 3.41Å; S118-N238 WeakPolarHBondContact CB-O 3.41Å; S118-L240 PolarHBondContact OG-N 2.87Å; S118-L240 PolarHBondContact OG-O 2.95Å
119S98.4Very high96.8Very high6 Ų631.3 Ų31.34%0.04218%0.179CC..Hα-helixtrans-65.2-42.7179.269.90000112.2L115 F116 G117 T122 L123 M231L115-S119 PolarHBondContact O-N 3.31Å; L115-S119 VanDerWaalsContact O-N 3.08Å; L115-S119 PolarHBondContact O-OG 2.95Å; F116-S119 PolarHBondContact O-N 3Å; F116-S119 PolarHBondContact O-OG 2.99Å; G117-S119 VanDerWaalsContact C-N 3.34Å; G117-S119 PolarHBondContact O-N 3.31Å; S119-T122 PolarHBondContact O-N 3Å; S119-L123 WeakPolarHBondContact O-CB 3.32Å; S119-L123 PolarHBondContact O-N 3.2Å; S119-M231 WeakPolarHBondContact CB-O 3.21Å; S119-M231 VanDerWaalsContact OG-CE 3.26Å; S119-M231 WeakPolarHBondContact OG-CE 3.38Å; S119-M231 PolarHBondContact OG-O 3.39Å; S119-M231 VanDerWaalsContact OG-O 3.12Å
120V98.1Very high96.4Very high0 Ų033.6 Ų33.60%019%0.191CC..Hα-helixtrans-71.1-38.5178.7179.10000111.5F116 G117 T122 L123 M124 I133 F155 I180 I204 M231F116-V120 HydrophobicContact CD1-CG2 4.01Å; F116-V120 HydrophobicContact CE1-CG2 3.57Å; F116-V120 HydrophobicContact CE2-CG2 4.46Å; F116-V120 HydrophobicContact CZ-CG2 3.83Å; F116-V120 WeakPolarHBondContact O-CG2 3.32Å; F116-V120 PolarHBondContact O-N 3.41Å; G117-V120 PolarHBondContact O-N 3.49Å; V120-T122 VanDerWaalsContact C-N 3.3Å; V120-T122 PolarHBondContact O-N 3.36Å; V120-L123 PolarHBondContact O-N 2.93Å; V120-M124 HydrophobicContact CG1-CE 3.97Å; V120-M124 HydrophobicContact CG1-CG 4.17Å; V120-M124 HydrophobicContact CG1-SD 4.29Å; V120-M124 WeakPolarHBondContact O-CB 3.4Å; V120-M124 VanDerWaalsContact O-CG 3.3Å; V120-M124 WeakPolarHBondContact O-CG 3.48Å; V120-M124 PolarHBondContact O-N 2.95Å; V120-I133 HydrophobicContact CG1-CD1 3.55Å; V120-I133 HydrophobicContact CG1-CG1 4.3Å; V120-F155 HydrophobicContact CB-CE2 3.9Å; V120-F155 HydrophobicContact CB-CZ 3.95Å; V120-F155 HydrophobicContact CG1-CD2 4.5Å; V120-F155 HydrophobicContact CG1-CE2 3.92Å; V120-F155 HydrophobicContact CG1-CZ 3.93Å; V120-I180 HydrophobicContact CG1-CD1 4.33Å; V120-I204 HydrophobicContact CG2-CD1 4.2Å; V120-M231 HydrophobicContact CG2-CE 3.7Å
121T97.7Very high96.2Very high47 Ų4733.7 Ų33.729%0.28820%0.196SC..Hα-helixtrans-58.6-43.7173.5-60.80000111.4G117 M124 G125 Y153 F155 L240G117-T121 PolarHBondContact O-N 2.9Å; G117-T121 PolarHBondContact O-OG1 3.35Å; G117-T121 VanDerWaalsContact O-OG1 3.05Å; T121-M124 PolarHBondContact O-N 3.41Å; T121-G125 PolarHBondContact O-N 2.8Å; T121-Y153 WeakPolarHBondContact OG1-CD1 3.49Å; T121-F155 VanDerWaalsContact OG1-CZ 3.26Å; T121-F155 WeakPolarHBondContact OG1-CZ 3.2Å; T121-L240 HydrophobicContact CG2-CD1 3.66Å
122T97.3Very high96.2Very high41 Ų4131.3 Ų31.325%0.25219%0.185SC..Hα-helixtrans-60.7-51.1176.3-56.40000110.5S118 S119 V120 M124 G125 E126 N238S118-T122 PolarHBondContact O-N 3.13Å; S118-T122 VanDerWaalsContact O-N 3.09Å; S118-T122 PolarHBondContact O-OG1 2.83Å; S119-T122 PolarHBondContact O-N 3Å; V120-T122 VanDerWaalsContact C-N 3.3Å; V120-T122 PolarHBondContact O-N 3.36Å; T122-M124 VanDerWaalsContact C-N 3.32Å; T122-M124 PolarHBondContact O-N 3.5Å; T122-G125 PolarHBondContact O-N 2.89Å; T122-G125 VanDerWaalsContact O-N 3.11Å; T122-E126 PolarHBondContact O-N 3.05Å; T122-E126 VanDerWaalsContact O-N 3.08Å; T122-N238 PolarHBondContact OG1-ND2 2.89Å; T122-N238 VanDerWaalsContact OG1-ND2 3.09Å
123L96.2Very high96.1Very high6 Ų628.2 Ų28.23%0.03117%0.171CC..Hα-helixtrans-58.6-41.3179178.567.7000112.6S119 V120 G125 E126 I127 I180 V202 F226 M231S119-L123 WeakPolarHBondContact O-CB 3.32Å; S119-L123 PolarHBondContact O-N 3.2Å; V120-L123 PolarHBondContact O-N 2.93Å; L123-G125 VanDerWaalsContact C-N 3.29Å; L123-G125 PolarHBondContact O-N 2.93Å; L123-E126 PolarHBondContact O-N 2.82Å; L123-I127 HydrophobicContact CD1-CG2 4.49Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 3.31Å; L123-I127 VanDerWaalsContact O-N 3.14Å; L123-I180 HydrophobicContact CD2-CD1 3.95Å; L123-I180 HydrophobicContact CG-CD1 4.2Å; L123-V202 HydrophobicContact CD1-CG2 4.13Å; L123-V202 HydrophobicContact CD2-CB 4.2Å; L123-V202 HydrophobicContact CD2-CG1 3.65Å; L123-V202 HydrophobicContact CD2-CG2 4.08Å; L123-V202 HydrophobicContact CG-CG2 4.32Å; L123-F226 HydrophobicContact CD1-CE2 4.09Å; L123-F226 HydrophobicContact CD2-CE2 4.43Å; L123-M231 HydrophobicContact CD2-CE 4.1Å
124M95.9Very high96.1Very high17 Ų1728.2 Ų28.28%0.08417%0.171CC..Hα-helixtrans-60.9-38.4177-77.1-177.8166.800112.3V120 T121 T122 S128 T129 I133 F155 I180V120-M124 HydrophobicContact CG1-CE 3.97Å; V120-M124 HydrophobicContact CG1-CG 4.17Å; V120-M124 HydrophobicContact CG1-SD 4.29Å; V120-M124 WeakPolarHBondContact O-CB 3.4Å; V120-M124 VanDerWaalsContact O-CG 3.3Å; V120-M124 WeakPolarHBondContact O-CG 3.48Å; V120-M124 PolarHBondContact O-N 2.95Å; T121-M124 PolarHBondContact O-N 3.41Å; T122-M124 VanDerWaalsContact C-N 3.32Å; T122-M124 PolarHBondContact O-N 3.5Å; M124-S128 PolarHBondContact O-N 3.25Å; M124-T129 HydrophobicContact CB-CG2 3.81Å; M124-T129 HydrophobicContact CG-CG2 3.67Å; M124-T129 PolarHBondContact O-N 2.72Å; M124-I133 HydrophobicContact CE-CD1 3.75Å; M124-I133 HydrophobicContact CE-CG1 3.39Å; M124-F155 HydrophobicContact CE-CB 4.47Å; M124-F155 HydrophobicContact CE-CD1 3.79Å; M124-F155 HydrophobicContact CE-CE1 4.18Å; M124-F155 HydrophobicContact CE-CG 4.15Å; M124-F155 HydrophobicContact SD-CD1 3.64Å; M124-F155 HydrophobicContact SD-CE1 3.57Å; M124-F155 VanDerWaalsContact SD-CE1 3.57Å; M124-F155 HydrophobicContact SD-CZ 4.42Å; M124-I180 HydrophobicContact CE-CD1 4.28Å; M124-I180 HydrophobicContact CG-CD1 3.6Å
125G94.8Very high96.1Very high54 Ų5427.3 Ų27.356%0.55717%0.167SC*.Hα-helixtrans-65.9-41.9173.800000112.6T121 T122 L123 I127 S128T121-G125 PolarHBondContact O-N 2.8Å; T122-G125 PolarHBondContact O-N 2.89Å; T122-G125 VanDerWaalsContact O-N 3.11Å; L123-G125 VanDerWaalsContact C-N 3.29Å; L123-G125 PolarHBondContact O-N 2.93Å; G125-I127 PolarHBondContact O-N 3.04Å; G125-S128 PolarHBondContact O-N 2.92Å
126E94.8Very high95.9Very high108 Ų10826.8 Ų26.851%0.50516%0.164SC..Hα-helixtrans-62.8-37.8179.1-68.9175.3-166.600113.3T122 L123 R224T122-E126 PolarHBondContact O-N 3.05Å; T122-E126 VanDerWaalsContact O-N 3.08Å; L123-E126 PolarHBondContact O-N 2.82Å; E126-R224 IonicContact OE2-CZ 3.45Å; E126-R224 IonicContact OE2-NH1 3.19Å; E126-R224 PolarHBondContact OE2-NH1 2.82Å
127I93.2Very high95.5Very high15 Ų1527.2 Ų27.28%0.07717%0.169CC..THydrogen-bonded Turntrans-98.81.3-178.572.7175.7000113.7L123 G125 T129 K179 I180 V202L123-I127 HydrophobicContact CD1-CG2 4.49Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 3.31Å; L123-I127 VanDerWaalsContact O-N 3.14Å; G125-I127 PolarHBondContact O-N 3.04Å; I127-T129 HydrophobicContact CD1-CG2 3.82Å; I127-T129 HydrophobicContact CG1-CG2 3.69Å; I127-T129 PolarHBondContact O-N 3.48Å; I127-K179 HydrophobicContact CD1-CB 4.14Å; I127-K179 HydrophobicContact CD1-CD 4.46Å; I127-I180 HydrophobicContact CD1-CD1 3.97Å; I127-I180 HydrophobicContact CD1-CG1 3.77Å; I127-V202 HydrophobicContact CD1-CG2 3.92Å
128S90.4Very high95.2Very high105 Ų10533.3 Ų33.373%0.73420%0.195SC*.THydrogen-bonded Turntrans4958.2179.8-60.90000113M124 G125M124-S128 PolarHBondContact O-N 3.25Å; G125-S128 PolarHBondContact O-N 2.92Å
129T90.5Very high95Very high29 Ų2934.6 Ų34.618%0.17820%0.202CC..  trans-105.4164.7-177.2-174.20000113.1M124 I127 K179 I180M124-T129 HydrophobicContact CB-CG2 3.81Å; M124-T129 HydrophobicContact CG-CG2 3.67Å; M124-T129 PolarHBondContact O-N 2.72Å; I127-T129 HydrophobicContact CD1-CG2 3.82Å; I127-T129 HydrophobicContact CG1-CG2 3.69Å; I127-T129 PolarHBondContact O-N 3.48Å; T129-K179 WeakPolarHBondContact OG1-CD 3.43Å; T129-I180 HydrophobicContact CG2-CD1 4.19Å
130N89.8Confident94.9Very high49 Ų4934.5 Ų34.526%0.26220%0.201SC..  trans-62.1165.8161.766.621.6000110.7F132 T176N130-F132 PolarHBondContact O-N 3.43Å; N130-F132 WeakPolarHBondContact OD1-CB 3.32Å; N130-F132 PolarHBondContact OD1-N 3.47Å; N130-T176 PolarHBondContact ND2-O 2.81Å
131N94.3Very high94.9Very high67 Ų6735.4 Ų35.436%0.35821%0.207SC..SBendtrans-80.425.5-178.165-28.5000113.6S154 F155 V156N131-S154 PolarHBondContact ND2-O 2.69Å; N131-F155 CarbonylContact O-C 3.58Å; N131-F155 WeakPolarHBondContact O-CA 3.33Å; N131-F155 WeakPolarHBondContact O-CB 3.34Å; N131-V156 PolarHBondContact O-N 3.08Å
132F97.8Very high95Very high13 Ų1334.4 Ų34.46%0.05720%0.199CC..EExtended strand (participates in β ladder)trans-93.4138.4-176.3-68.49.1000111.5N130 V156 V158 T176 L178 I253 Y502N130-F132 PolarHBondContact O-N 3.43Å; N130-F132 WeakPolarHBondContact OD1-CB 3.32Å; N130-F132 PolarHBondContact OD1-N 3.47Å; F132-V156 WeakPolarHBondContact CA-O 3.48Å; F132-V156 HydrophobicContact CD1-CB 3.44Å; F132-V156 VanDerWaalsContact CD1-CB 3.44Å; F132-V156 HydrophobicContact CD1-CG1 4.14Å; F132-V156 HydrophobicContact CD1-CG2 3.69Å; F132-V156 HydrophobicContact CE1-CB 3.59Å; F132-V156 HydrophobicContact CE1-CG1 3.97Å; F132-V156 HydrophobicContact CE1-CG2 3.5Å; F132-V156 VanDerWaalsContact CE1-CG2 3.5Å; F132-V156 HydrophobicContact CG-CB 4.27Å; F132-V156 HydrophobicContact CZ-CG1 4.46Å; F132-V158 HydrophobicContact CB-CG2 4.4Å; F132-V158 HydrophobicContact CD2-CG2 4.28Å; F132-V158 HydrophobicContact CG-CG2 4.47Å; F132-T176 HydrophobicContact CD2-CG2 4.41Å; F132-T176 VanDerWaalsContact CD2-O 3.3Å; F132-T176 WeakPolarHBondContact CD2-O 3.43Å; F132-T176 HydrophobicContact CE2-CG2 4.38Å; F132-L178 HydrophobicContact CB-CD2 3.81Å; F132-I253 HydrophobicContact CE2-CD1 3.79Å; F132-I253 HydrophobicContact CZ-CD1 3.79Å; F132-Y502 HydrophobicContact CE2-CE1 4.27Å; F132-Y502 HydrophobicContact CE2-CE2 4.02Å; F132-Y502 AromaticContact CE2-CZ 3.65Å; F132-Y502 WeakPolarHBondContact CE2-OH 3.39Å; F132-Y502 AromaticContact CZ-CE2 3.84Å; F132-Y502 HydrophobicContact CZ-CE2 3.84Å; F132-Y502 AromaticContact CZ-CZ 3.91Å
133I98.2Very high95Very high0 Ų032.7 Ų32.70%019%0.188CC..EExtended strand (participates in β ladder)trans-129.1121.6175.5-60.3173.5000109.2V120 M124 T146 F155 V156 I157 V158 V182V120-I133 HydrophobicContact CG1-CD1 3.55Å; V120-I133 HydrophobicContact CG1-CG1 4.3Å; M124-I133 HydrophobicContact CE-CD1 3.75Å; M124-I133 HydrophobicContact CE-CG1 3.39Å; I133-T146 HydrophobicContact CG2-CG2 4.24Å; I133-F155 HydrophobicContact CD1-CB 3.65Å; I133-F155 HydrophobicContact CD1-CD1 4.36Å; I133-F155 HydrophobicContact CD1-CD2 3.17Å; I133-F155 HydrophobicContact CD1-CE2 3.82Å; I133-F155 HydrophobicContact CD1-CG 3.49Å; I133-F155 VanDerWaalsContact CD1-CG 3.49Å; I133-F155 HydrophobicContact CG1-CB 4.14Å; I133-F155 HydrophobicContact CG1-CD2 4.42Å; I133-F155 HydrophobicContact CG1-CG 4.35Å; I133-V156 PolarHBondContact N-O 3.24Å; I133-I157 HydrophobicContact CB-CD1 4.38Å; I133-V158 PolarHBondContact O-N 2.84Å; I133-V182 HydrophobicContact CG2-CG2 3.97Å
134G97.8Very high95.1Very high0 Ų032.4 Ų32.40%019%0.186CC..EExtended strand (participates in β ladder)trans-75.1140.9170.400000110.5V158 L178 I180 I181 V182G134-V158 VanDerWaalsContact CA-O 3.31Å; G134-V158 WeakPolarHBondContact CA-O 3.37Å; G134-L178 VanDerWaalsContact N-CD2 3.25Å; G134-I180 PolarHBondContact N-O 3.45Å; G134-I181 CarbonylContact O-C 3.55Å; G134-I181 WeakPolarHBondContact O-CA 3.48Å; G134-V182 PolarHBondContact O-N 2.56Å
135I97.8Very high95.2Very high0 Ų031.7 Ų31.70%018%0.183CC..EExtended strand (participates in β ladder)trans-126.3121.3165.4-45.4179000108.7W143 T146 Q147 I157 V158 L160 V182 M206I135-W143 HydrophobicContact CD1-CD2 4.45Å; I135-W143 HydrophobicContact CD1-CZ2 4.34Å; I135-W143 HydrophobicContact CG2-CD2 4.34Å; I135-W143 HydrophobicContact CG2-CG 3.9Å; I135-W143 VanDerWaalsContact CG2-NE1 3.27Å; I135-T146 HydrophobicContact CD1-CG2 3.5Å; I135-T146 VanDerWaalsContact CD1-CG2 3.5Å; I135-T146 HydrophobicContact CG1-CG2 3.83Å; I135-Q147 HydrophobicContact CD1-CB 4.49Å; I135-I157 HydrophobicContact CD1-CD1 4.42Å; I135-I157 HydrophobicContact CD1-CG2 3.65Å; I135-I157 HydrophobicContact CG1-CG2 4.13Å; I135-V158 PolarHBondContact N-O 3.39Å; I135-L160 PolarHBondContact O-N 2.84Å; I135-V182 CarbonylContact C-O 3.57Å; I135-V182 WeakPolarHBondContact CA-O 3.48Å; I135-V182 HydrophobicContact CG2-CB 4.47Å; I135-M206 HydrophobicContact CG2-CE 3.49Å; I135-M206 VanDerWaalsContact CG2-CE 3.49Å
136Y94.9Very high95.4Very high5 Ų529.1 Ų29.12%0.0216%0.156CC..EExtended strand (participates in β ladder)trans-131.1111.9-175-177.7-124000111.7L160 I169 V182 C183 D184 Q188 L192Y136-L160 HydrophobicContact CD2-CB 3.58Å; Y136-L160 HydrophobicContact CE2-CB 4.44Å; Y136-L160 HydrophobicContact CG-CB 4.22Å; Y136-I169 HydrophobicContact CE2-CD1 4.14Å; Y136-V182 PolarHBondContact N-O 2.95Å; Y136-C183 CarbonylContact O-C 3.59Å; Y136-C183 VanDerWaalsContact O-CA 3.26Å; Y136-C183 WeakPolarHBondContact O-CA 3.43Å; Y136-D184 PolarHBondContact O-N 3.32Å; Y136-Q188 HydrophobicContact CD1-CB 3.86Å; Y136-Q188 HydrophobicContact CD1-CG 4.44Å; Y136-Q188 HydrophobicContact CE1-CB 3.68Å; Y136-Q188 HydrophobicContact CE1-CG 4.01Å; Y136-Q188 VanDerWaalsContact CZ-OE1 3.28Å; Y136-Q188 PolarHBondContact OH-OE1 2.77Å; Y136-L192 HydrophobicContact CD1-CD1 3.47Å; Y136-L192 VanDerWaalsContact CD1-CD1 3.47Å; Y136-L192 HydrophobicContact CD1-CD2 3.82Å; Y136-L192 HydrophobicContact CD1-CG 3.64Å; Y136-L192 HydrophobicContact CE1-CD1 4.12Å; Y136-L192 HydrophobicContact CE1-CD2 3.67Å; Y136-L192 HydrophobicContact CE1-CG 3.74Å; Y136-L192 HydrophobicContact CG-CD1 4.04Å; Y136-L192 HydrophobicContact CG-CD2 4.4Å
137G91Very high95.6Very high10 Ų1024 Ų2410%0.10313%0.132CC..SBendtrans147.4-173.4177.700000114.1D184G137-D184 VanDerWaalsContact CA-CG 3.42Å; G137-D184 VanDerWaalsContact CA-OD2 3.23Å; G137-D184 WeakPolarHBondContact CA-OD2 3.3Å
138K91.1Very high95.8Very high128 Ų12823.2 Ų23.256%0.55713%0.129SC*.SBendtrans-65.3152.6179-63.2179.5-178.3-176.30112.1S140 D184 D326K138-S140 PolarHBondContact O-N 3.4Å; K138-D184 PolarHBondContact N-OD2 3.18Å; K138-D326 PolarHBondContact NZ-O 3.33Å
139N95.2Very high96.2Very high26 Ų2618.2 Ų18.214%0.1399%0.094CC..  trans-55.5134171-62.97000110.2S298 L300 L302 F323N139-S298 PolarHBondContact ND2-OG 3.15Å; N139-L300 PolarHBondContact ND2-O 3.38Å; N139-L302 HydrophobicContact CB-CD1 3.7Å; N139-L302 HydrophobicContact CB-CG 4.38Å; N139-L302 VanDerWaalsContact CG-CD1 3.49Å; N139-L302 PolarHBondContact OD1-N 3.24Å; N139-F323 HydrophobicContact CB-CD1 3.78Å; N139-F323 HydrophobicContact CB-CE1 4.06Å
140S96.7Very high96.5Very high4 Ų416.9 Ų16.93%0.0289%0.085CC..  trans-155.916517974.10000110.8K138 K142 W143 V144 M206K138-S140 PolarHBondContact O-N 3.4Å; S140-K142 PolarHBondContact O-N 3.03Å; S140-K142 PolarHBondContact OG-N 3.32Å; S140-W143 VanDerWaalsContact O-CB 3.28Å; S140-W143 WeakPolarHBondContact O-CB 3.49Å; S140-W143 PolarHBondContact O-N 2.91Å; S140-W143 PolarHBondContact OG-N 2.87Å; S140-V144 PolarHBondContact O-N 3.29Å; S140-M206 PolarHBondContact OG-SD 3.46Å; S140-M206 VanDerWaalsContact OG-SD 3.36Å
141P98.4Very high96.8Very high19 Ų1914.6 Ų14.612%0.1237%0.073CC..Hα-helixtrans-55.6-39.5170.8-2735.5000112.9L91 K93 I104 W143 V144 I145 F323L91-P141 HydrophobicContact CB-CB 3.97Å; L91-P141 HydrophobicContact CB-CG 4.21Å; L91-P141 HydrophobicContact CD1-CB 4.05Å; K93-P141 HydrophobicContact CB-CG 4.04Å; I104-P141 HydrophobicContact CD1-CB 4.34Å; P141-W143 PolarHBondContact O-N 2.86Å; P141-V144 PolarHBondContact O-N 3.34Å; P141-I145 WeakPolarHBondContact O-CD1 3.37Å; P141-I145 VanDerWaalsContact O-CG1 3.28Å; P141-I145 WeakPolarHBondContact O-CG1 3.18Å; P141-I145 PolarHBondContact O-N 3.04Å; P141-F323 HydrophobicContact CB-CE2 4.44Å; P141-F323 HydrophobicContact CG-CD2 3.74Å; P141-F323 HydrophobicContact CG-CE2 3.86Å
142K98.1Very high97Very high26 Ų2611.5 Ų11.511%0.1136%0.057CC..Hα-helixtrans-64.3-39.5178.9-68.2173.3177.3174.50111.5S140 V144 I145 T146 M206 E207 F228 E229S140-K142 PolarHBondContact O-N 3.03Å; S140-K142 PolarHBondContact OG-N 3.32Å; K142-V144 PolarHBondContact O-N 3.41Å; K142-I145 PolarHBondContact O-N 3.37Å; K142-T146 PolarHBondContact O-N 2.91Å; K142-T146 PolarHBondContact O-OG1 3.48Å; K142-T146 VanDerWaalsContact O-OG1 3.13Å; K142-M206 HydrophobicContact CB-CB 4.12Å; K142-M206 HydrophobicContact CB-CG 3.9Å; K142-M206 HydrophobicContact CB-SD 3.9Å; K142-M206 HydrophobicContact CD-CB 3.75Å; K142-M206 HydrophobicContact CD-CG 4.42Å; K142-M206 VanDerWaalsContact CD-O 3.31Å; K142-M206 WeakPolarHBondContact CD-O 3.38Å; K142-M206 WeakPolarHBondContact CE-O 3.31Å; K142-M206 PolarHBondContact NZ-O 3.49Å; K142-E207 IonicContact NZ-OE2 3.67Å; K142-E207 PolarHBondContact NZ-OE2 3.09Å; K142-F228 HydrophobicContact CB-CD2 3.87Å; K142-F228 HydrophobicContact CB-CE1 4.46Å; K142-F228 HydrophobicContact CB-CE2 3.76Å; K142-F228 HydrophobicContact CB-CG 4.27Å; K142-F228 HydrophobicContact CB-CZ 4.08Å; K142-F228 HydrophobicContact CD-CB 4.03Å; K142-F228 HydrophobicContact CD-CD1 4.09Å; K142-F228 HydrophobicContact CD-CD2 4.28Å; K142-F228 HydrophobicContact CD-CG 3.88Å; K142-F228 HydrophobicContact CG-CD1 3.92Å; K142-F228 HydrophobicContact CG-CD2 4.08Å; K142-F228 HydrophobicContact CG-CE1 4.02Å; K142-F228 HydrophobicContact CG-CE2 4.16Å; K142-F228 HydrophobicContact CG-CG 3.96Å; K142-F228 HydrophobicContact CG-CZ 4.14Å; K142-E229 WeakPolarHBondContact CE-OE1 3.41Å; K142-E229 IonicContact NZ-OE1 2.98Å; K142-E229 PolarHBondContact NZ-OE1 3.46Å; K142-E229 IonicContact NZ-OE2 3.81Å; K142-E229 PolarHBondContact NZ-OE2 3.45Å
143W97.8Very high96.9Very high5 Ų511.4 Ų11.42%0.0196%0.056CC..Hα-helixtrans-55.5-50.2172.2-166.3110.1000111.5I135 S140 P141 T146 Q147 P159 M206 L302I135-W143 HydrophobicContact CD1-CD2 4.45Å; I135-W143 HydrophobicContact CD1-CZ2 4.34Å; I135-W143 HydrophobicContact CG2-CD2 4.34Å; I135-W143 HydrophobicContact CG2-CG 3.9Å; I135-W143 VanDerWaalsContact CG2-NE1 3.27Å; S140-W143 VanDerWaalsContact O-CB 3.28Å; S140-W143 WeakPolarHBondContact O-CB 3.49Å; S140-W143 PolarHBondContact O-N 2.91Å; S140-W143 PolarHBondContact OG-N 2.87Å; P141-W143 PolarHBondContact O-N 2.86Å; W143-T146 PolarHBondContact O-N 3.18Å; W143-Q147 HydrophobicContact CE3-CB 4.32Å; W143-Q147 HydrophobicContact CH2-CB 4.42Å; W143-Q147 HydrophobicContact CZ3-CB 3.85Å; W143-Q147 HydrophobicContact CZ3-CG 4.33Å; W143-Q147 PolarHBondContact O-N 3.46Å; W143-P159 HydrophobicContact CZ2-CB 4.17Å; W143-P159 HydrophobicContact CZ2-CG 4.22Å; W143-M206 HydrophobicContact CB-CE 4.03Å; W143-M206 HydrophobicContact CB-SD 4.37Å; W143-M206 HydrophobicContact CG-CE 4.4Å; W143-L302 HydrophobicContact CD2-CB 3.9Å; W143-L302 HydrophobicContact CD2-CD1 3.71Å; W143-L302 HydrophobicContact CD2-CG 4.38Å; W143-L302 HydrophobicContact CE3-CB 3.77Å; W143-L302 HydrophobicContact CE3-CD1 3.37Å; W143-L302 HydrophobicContact CE3-CD2 4.25Å; W143-L302 HydrophobicContact CE3-CG 3.98Å; W143-L302 HydrophobicContact CG-CD1 4.25Å; W143-L302 HydrophobicContact CH2-CB 3.48Å; W143-L302 VanDerWaalsContact CH2-CB 3.48Å; W143-L302 HydrophobicContact CH2-CD2 4.49Å; W143-L302 HydrophobicContact CH2-CG 4.39Å; W143-L302 HydrophobicContact CZ2-CB 3.53Å; W143-L302 HydrophobicContact CZ3-CB 3.55Å; W143-L302 HydrophobicContact CZ3-CD1 3.88Å; W143-L302 HydrophobicContact CZ3-CD2 3.9Å; W143-L302 HydrophobicContact CZ3-CG 3.97Å
144V98.6Very high96.8Very high0 Ų012 Ų120%06%0.06CC..Hα-helixtrans-64.9-42.1-179.2176.70000111.5L91 S140 P141 K142 Q147 L148 L302 M311 I315 F323L91-V144 HydrophobicContact CD1-CB 4.06Å; L91-V144 HydrophobicContact CD1-CG1 4.07Å; L91-V144 HydrophobicContact CD2-CG1 4.34Å; S140-V144 PolarHBondContact O-N 3.29Å; P141-V144 PolarHBondContact O-N 3.34Å; K142-V144 PolarHBondContact O-N 3.41Å; V144-Q147 PolarHBondContact O-N 2.88Å; V144-L148 HydrophobicContact CG1-CD1 3.91Å; V144-L148 HydrophobicContact CG1-CG 4.36Å; V144-L148 WeakPolarHBondContact O-CG 3.28Å; V144-L148 PolarHBondContact O-N 3.01Å; V144-L302 HydrophobicContact CG2-CD1 4.02Å; V144-M311 HydrophobicContact CB-SD 4.11Å; V144-M311 HydrophobicContact CG1-CE 4.44Å; V144-M311 HydrophobicContact CG1-SD 3.65Å; V144-M311 HydrophobicContact CG2-CG 4.39Å; V144-M311 HydrophobicContact CG2-SD 3.44Å; V144-M311 WeakPolarHBondContact CG2-SD 3.46Å; V144-I315 HydrophobicContact CG1-CD1 4.03Å; V144-F323 HydrophobicContact CG2-CE1 4.05Å; V144-F323 HydrophobicContact CG2-CZ 3.64Å
145I98.7Very high96.8Very high2 Ų212.2 Ų12.21%0.016%0.062CC..Hα-helixtrans-62.1-45.6176.9-68161.3000110.7L91 I104 V109 K112 I113 F116 P141 K142 Q147 L148 A149 F228L91-I145 HydrophobicContact CD1-CG1 4.38Å; I104-I145 HydrophobicContact CD1-CD1 4.16Å; V109-I145 HydrophobicContact CG1-CG1 4.21Å; K112-I145 HydrophobicContact CB-CD1 4.01Å; K112-I145 HydrophobicContact CB-CG1 4.5Å; K112-I145 HydrophobicContact CB-CG2 3.96Å; K112-I145 HydrophobicContact CD-CD1 3.83Å; I113-I145 HydrophobicContact CG1-CG2 4.12Å; F116-I145 HydrophobicContact CB-CG2 4.43Å; P141-I145 WeakPolarHBondContact O-CD1 3.37Å; P141-I145 VanDerWaalsContact O-CG1 3.28Å; P141-I145 WeakPolarHBondContact O-CG1 3.18Å; P141-I145 PolarHBondContact O-N 3.04Å; K142-I145 PolarHBondContact O-N 3.37Å; I145-Q147 VanDerWaalsContact C-N 3.32Å; I145-Q147 PolarHBondContact O-N 3.44Å; I145-L148 PolarHBondContact O-N 3.38Å; I145-A149 WeakPolarHBondContact O-CB 3.4Å; I145-A149 PolarHBondContact O-N 3.19Å; I145-F228 HydrophobicContact CB-CZ 4.06Å; I145-F228 HydrophobicContact CG2-CZ 3.77Å
146T98.7Very high96.8Very high0 Ų012.4 Ų12.40%06%0.063CC..Hα-helixtrans-56.8-46.1175.2-650000111.3F116 I133 I135 K142 W143 A149 G150 V182F116-T146 HydrophobicContact CE1-CG2 3.81Å; F116-T146 HydrophobicContact CZ-CG2 4.19Å; I133-T146 HydrophobicContact CG2-CG2 4.24Å; I135-T146 HydrophobicContact CD1-CG2 3.5Å; I135-T146 VanDerWaalsContact CD1-CG2 3.5Å; I135-T146 HydrophobicContact CG1-CG2 3.83Å; K142-T146 PolarHBondContact O-N 2.91Å; K142-T146 PolarHBondContact O-OG1 3.48Å; K142-T146 VanDerWaalsContact O-OG1 3.13Å; W143-T146 PolarHBondContact O-N 3.18Å; T146-A149 WeakPolarHBondContact O-CB 3.37Å; T146-A149 PolarHBondContact O-N 2.87Å; T146-G150 PolarHBondContact O-N 3.31Å; T146-V182 HydrophobicContact CG2-CB 4.42Å; T146-V182 HydrophobicContact CG2-CG2 3.76Å
147Q98.2Very high96.9Very high0 Ų012.2 Ų12.20%06%0.062CC..Hα-helixtrans-62.8-47.2178.4172.9172.3-64.300112.4I135 W143 V144 I145 A149 G150 S151 I157 F251 Q308I135-Q147 HydrophobicContact CD1-CB 4.49Å; W143-Q147 HydrophobicContact CE3-CB 4.32Å; W143-Q147 HydrophobicContact CH2-CB 4.42Å; W143-Q147 HydrophobicContact CZ3-CB 3.85Å; W143-Q147 HydrophobicContact CZ3-CG 4.33Å; W143-Q147 PolarHBondContact O-N 3.46Å; V144-Q147 PolarHBondContact O-N 2.88Å; I145-Q147 VanDerWaalsContact C-N 3.32Å; I145-Q147 PolarHBondContact O-N 3.44Å; Q147-A149 VanDerWaalsContact C-N 3.27Å; Q147-A149 PolarHBondContact O-N 3.35Å; Q147-G150 WeakPolarHBondContact O-CA 3.27Å; Q147-G150 PolarHBondContact O-N 2.96Å; Q147-S151 PolarHBondContact O-N 3.18Å; Q147-I157 HydrophobicContact CG-CG1 4.3Å; Q147-F251 HydrophobicContact CG-CE2 4.22Å; Q147-F251 HydrophobicContact CG-CZ 3.66Å; Q147-Q308 VanDerWaalsContact OE1-CD 3.32Å; Q147-Q308 VanDerWaalsContact OE1-OE1 3.09Å
148L98.3Very high97.3Very high0 Ų011.7 Ų11.70%06%0.057CC..Hα-helixtrans-67.5-30.2-179.8-69.9175.2000111.9F78 I113 V144 I145 S151 A152 I312 I315F78-L148 HydrophobicContact CB-CD1 4.36Å; F78-L148 HydrophobicContact CB-CD2 4.26Å; F78-L148 HydrophobicContact CD2-CD1 3.68Å; F78-L148 HydrophobicContact CE2-CD1 4.34Å; F78-L148 HydrophobicContact CG-CD1 4.13Å; I113-L148 HydrophobicContact CD1-CB 3.57Å; I113-L148 HydrophobicContact CD1-CD1 3.73Å; I113-L148 HydrophobicContact CD1-CG 4.31Å; I113-L148 HydrophobicContact CG1-CB 3.83Å; V144-L148 HydrophobicContact CG1-CD1 3.91Å; V144-L148 HydrophobicContact CG1-CG 4.36Å; V144-L148 WeakPolarHBondContact O-CG 3.28Å; V144-L148 PolarHBondContact O-N 3.01Å; I145-L148 PolarHBondContact O-N 3.38Å; L148-S151 WeakPolarHBondContact O-CB 3.28Å; L148-S151 PolarHBondContact O-N 3.38Å; L148-A152 WeakPolarHBondContact O-CB 3.49Å; L148-A152 PolarHBondContact O-N 2.58Å; L148-I312 HydrophobicContact CD2-CD1 4.13Å; L148-I315 HydrophobicContact CD1-CD1 4.2Å
149A98.3Very high97.5Very high0 Ų05.8 Ų5.80%03%0.032CC..Hα-helixtrans-63.9-40.7167.500000111.7I113 F116 I145 T146 Q147 S151 A152 Y153I113-A149 HydrophobicContact CG2-CB 4.27Å; F116-A149 HydrophobicContact CD1-CB 3.83Å; I145-A149 WeakPolarHBondContact O-CB 3.4Å; I145-A149 PolarHBondContact O-N 3.19Å; T146-A149 WeakPolarHBondContact O-CB 3.37Å; T146-A149 PolarHBondContact O-N 2.87Å; Q147-A149 VanDerWaalsContact C-N 3.27Å; Q147-A149 PolarHBondContact O-N 3.35Å; A149-S151 VanDerWaalsContact C-N 3.31Å; A149-S151 PolarHBondContact O-N 2.68Å; A149-A152 PolarHBondContact O-N 3.13Å; A149-A152 VanDerWaalsContact O-N 3.1Å; A149-Y153 WeakPolarHBondContact O-CD2 3.41Å; A149-Y153 PolarHBondContact O-N 2.89Å
150G97.1Very high97.4Very high0 Ų04.8 Ų4.80%03%0.026CC..Hα-helixtrans-56.9-44.7170.500000113T146 Q147 A152 S154 F155T146-G150 PolarHBondContact O-N 3.31Å; Q147-G150 WeakPolarHBondContact O-CA 3.27Å; Q147-G150 PolarHBondContact O-N 2.96Å; G150-A152 VanDerWaalsContact C-N 3.33Å; G150-A152 PolarHBondContact O-N 3.38Å; G150-S154 CarbonylContact O-C 3.6Å; G150-S154 WeakPolarHBondContact O-CA 3.49Å; G150-S154 PolarHBondContact O-N 2.84Å; G150-F155 VanDerWaalsContact CA-CD2 3.5Å; G150-F155 PolarHBondContact O-N 3.17Å
151S96.2Very high96.5Very high2 Ų25.7 Ų5.71%0.0143%0.029CC..Hα-helixtrans-63.6-36.6173.6-178.80000113.6S73 P74 F75 Q147 L148 A149S73-S151 WeakPolarHBondContact CB-OG 3.47Å; P74-S151 WeakPolarHBondContact CB-OG 3.41Å; P74-S151 WeakPolarHBondContact CD-OG 3.33Å; F75-S151 WeakPolarHBondContact CB-OG 3.38Å; F75-S151 PolarHBondContact N-OG 3.24Å; Q147-S151 PolarHBondContact O-N 3.18Å; L148-S151 WeakPolarHBondContact O-CB 3.28Å; L148-S151 PolarHBondContact O-N 3.38Å; A149-S151 VanDerWaalsContact C-N 3.31Å; A149-S151 PolarHBondContact O-N 2.68Å
152A97Very high95Very high2 Ų27.4 Ų7.42%0.0174%0.041CC..Hα-helixtrans-79.6-26.4-175.600000113.6F75 I113 L148 A149 G150 V242 K243F75-A152 HydrophobicContact CB-CB 4.06Å; F75-A152 HydrophobicContact CD1-CB 3.62Å; F75-A152 HydrophobicContact CD2-CB 3.76Å; F75-A152 HydrophobicContact CE1-CB 3.85Å; F75-A152 HydrophobicContact CE2-CB 3.99Å; F75-A152 HydrophobicContact CG-CB 3.55Å; F75-A152 HydrophobicContact CZ-CB 3.98Å; I113-A152 HydrophobicContact CG2-CB 3.98Å; L148-A152 WeakPolarHBondContact O-CB 3.49Å; L148-A152 PolarHBondContact O-N 2.58Å; A149-A152 PolarHBondContact O-N 3.13Å; A149-A152 VanDerWaalsContact O-N 3.1Å; G150-A152 VanDerWaalsContact C-N 3.33Å; G150-A152 PolarHBondContact O-N 3.38Å; A152-V242 HydrophobicContact CB-CG1 4.28Å; A152-V242 WeakPolarHBondContact O-CB 3.1Å; A152-K243 PolarHBondContact O-N 2.81Å; A152-K243 VanDerWaalsContact O-O 3.14Å
153Y97Very high93.4Very high10 Ų108.5 Ų8.54%0.0395%0.05CC..Hα-helixtrans-118.312.8-175.6-68.7-96.6000112.8Q114 G117 S118 T121 A149 F155 L240 P241 V242Q114-Y153 WeakPolarHBondContact CA-OH 3.48Å; Q114-Y153 PolarHBondContact O-OH 3.05Å; Q114-Y153 VanDerWaalsContact O-OH 3.1Å; G117-Y153 VanDerWaalsContact CA-CD2 3.49Å; S118-Y153 PolarHBondContact OG-OH 3.41Å; T121-Y153 WeakPolarHBondContact OG1-CD1 3.49Å; A149-Y153 WeakPolarHBondContact O-CD2 3.41Å; A149-Y153 PolarHBondContact O-N 2.89Å; Y153-F155 VanDerWaalsContact CB-CZ 3.49Å; Y153-F155 HydrophobicContact CG-CZ 4.28Å; Y153-F155 PolarHBondContact O-N 3.42Å; Y153-L240 HydrophobicContact CE1-CB 4.32Å; Y153-L240 PolarHBondContact OH-O 2.83Å; Y153-P241 WeakPolarHBondContact CE1-O 3.27Å; Y153-V242 HydrophobicContact CE2-CG1 4.1Å
154S95.9Very high92Very high12 Ų129.5 Ų9.58%0.0846%0.055CC..THydrogen-bonded Turntrans58.341.9179.6-38.40000113.9N131 G150 K243N131-S154 PolarHBondContact ND2-O 2.69Å; G150-S154 CarbonylContact O-C 3.6Å; G150-S154 WeakPolarHBondContact O-CA 3.49Å; G150-S154 PolarHBondContact O-N 2.84Å; S154-K243 WeakPolarHBondContact OG-CG 3.34Å; S154-K243 PolarHBondContact OG-O 2.84Å
155F97Very high90.8Very high6 Ų611.7 Ų11.73%0.0268%0.078CC..  trans-86.2141.6166.3-42-43.3000110V120 T121 M124 N131 I133 G150 Y153V120-F155 HydrophobicContact CB-CE2 3.9Å; V120-F155 HydrophobicContact CB-CZ 3.95Å; V120-F155 HydrophobicContact CG1-CD2 4.5Å; V120-F155 HydrophobicContact CG1-CE2 3.92Å; V120-F155 HydrophobicContact CG1-CZ 3.93Å; T121-F155 VanDerWaalsContact OG1-CZ 3.26Å; T121-F155 WeakPolarHBondContact OG1-CZ 3.2Å; M124-F155 HydrophobicContact CE-CB 4.47Å; M124-F155 HydrophobicContact CE-CD1 3.79Å; M124-F155 HydrophobicContact CE-CE1 4.18Å; M124-F155 HydrophobicContact CE-CG 4.15Å; M124-F155 HydrophobicContact SD-CD1 3.64Å; M124-F155 HydrophobicContact SD-CE1 3.57Å; M124-F155 VanDerWaalsContact SD-CE1 3.57Å; M124-F155 HydrophobicContact SD-CZ 4.42Å; N131-F155 CarbonylContact O-C 3.58Å; N131-F155 WeakPolarHBondContact O-CA 3.33Å; N131-F155 WeakPolarHBondContact O-CB 3.34Å; I133-F155 HydrophobicContact CD1-CB 3.65Å; I133-F155 HydrophobicContact CD1-CD1 4.36Å; I133-F155 HydrophobicContact CD1-CD2 3.17Å; I133-F155 HydrophobicContact CD1-CE2 3.82Å; I133-F155 HydrophobicContact CD1-CG 3.49Å; I133-F155 VanDerWaalsContact CD1-CG 3.49Å; I133-F155 HydrophobicContact CG1-CB 4.14Å; I133-F155 HydrophobicContact CG1-CD2 4.42Å; I133-F155 HydrophobicContact CG1-CG 4.35Å; G150-F155 VanDerWaalsContact CA-CD2 3.5Å; G150-F155 PolarHBondContact O-N 3.17Å; Y153-F155 VanDerWaalsContact CB-CZ 3.49Å; Y153-F155 HydrophobicContact CG-CZ 4.28Å; Y153-F155 PolarHBondContact O-N 3.42Å
156V98.1Very high90.2Very high4 Ų415.6 Ų15.62%0.02410%0.099CC..EExtended strand (participates in β ladder)trans-85.8115.8170.3-173.40000108.3N131 F132 I133 L250 I253N131-V156 PolarHBondContact O-N 3.08Å; F132-V156 WeakPolarHBondContact CA-O 3.48Å; F132-V156 HydrophobicContact CD1-CB 3.44Å; F132-V156 VanDerWaalsContact CD1-CB 3.44Å; F132-V156 HydrophobicContact CD1-CG1 4.14Å; F132-V156 HydrophobicContact CD1-CG2 3.69Å; F132-V156 HydrophobicContact CE1-CB 3.59Å; F132-V156 HydrophobicContact CE1-CG1 3.97Å; F132-V156 HydrophobicContact CE1-CG2 3.5Å; F132-V156 VanDerWaalsContact CE1-CG2 3.5Å; F132-V156 HydrophobicContact CG-CB 4.27Å; F132-V156 HydrophobicContact CZ-CG1 4.46Å; I133-V156 PolarHBondContact N-O 3.24Å; V156-L250 HydrophobicContact CG1-CB 3.94Å; V156-L250 HydrophobicContact CG2-CB 3.78Å; V156-I253 HydrophobicContact CG1-CD1 4.16Å; V156-I253 HydrophobicContact CG1-CG1 3.88Å
157I98.5Very high89.5Confident0 Ų023.2 Ų23.20%013%0.134CC..EExtended strand (participates in β ladder)trans-79.9128.3178.6-58.1-57.2000109.4I133 I135 Q147 P159 F251 M252 I253I133-I157 HydrophobicContact CB-CD1 4.38Å; I135-I157 HydrophobicContact CD1-CD1 4.42Å; I135-I157 HydrophobicContact CD1-CG2 3.65Å; I135-I157 HydrophobicContact CG1-CG2 4.13Å; Q147-I157 HydrophobicContact CG-CG1 4.3Å; I157-P159 HydrophobicContact CG2-CG 4.01Å; I157-P159 WeakPolarHBondContact O-CD 3.47Å; I157-F251 PolarHBondContact N-O 3.43Å; I157-M252 HydrophobicContact CB-CB 4.31Å; I157-M252 CarbonylContact O-C 3.52Å; I157-M252 WeakPolarHBondContact O-CA 3.46Å; I157-M252 WeakPolarHBondContact O-CB 3.29Å; I157-I253 PolarHBondContact O-N 3.36Å
158V98.1Very high88.8Confident0 Ų024 Ų240%014%0.141CC..EExtended strand (participates in β ladder)trans-116.491.7174.5-174.60000107.9F132 I133 G134 I135 L160 V172 T176 L178 I253 Y255F132-V158 HydrophobicContact CB-CG2 4.4Å; F132-V158 HydrophobicContact CD2-CG2 4.28Å; F132-V158 HydrophobicContact CG-CG2 4.47Å; I133-V158 PolarHBondContact O-N 2.84Å; G134-V158 VanDerWaalsContact CA-O 3.31Å; G134-V158 WeakPolarHBondContact CA-O 3.37Å; I135-V158 PolarHBondContact N-O 3.39Å; V158-L160 HydrophobicContact CG1-CD1 4.45Å; V158-L160 WeakPolarHBondContact O-CD1 3.43Å; V158-L160 PolarHBondContact O-N 3.1Å; V158-V172 HydrophobicContact CG1-CG1 3.87Å; V158-T176 HydrophobicContact CG1-CG2 4.15Å; V158-T176 HydrophobicContact CG2-CG2 4.29Å; V158-L178 HydrophobicContact CB-CD1 4.13Å; V158-L178 HydrophobicContact CG1-CD1 4.01Å; V158-L178 HydrophobicContact CG2-CD2 4.41Å; V158-I253 HydrophobicContact CG2-CB 4.49Å; V158-Y255 HydrophobicContact CG1-CD2 4.17Å; V158-Y255 HydrophobicContact CG1-CE2 3.93Å
159P96.6Very high88.4Confident4 Ų424 Ų243%0.02614%0.141CC..EExtended strand (participates in β ladder)trans-70.3126174.7-19.334.4000110.6W143 I157 M252 I253 L254W143-P159 HydrophobicContact CZ2-CB 4.17Å; W143-P159 HydrophobicContact CZ2-CG 4.22Å; I157-P159 HydrophobicContact CG2-CG 4.01Å; I157-P159 WeakPolarHBondContact O-CD 3.47Å; P159-M252 HydrophobicContact CG-CE 4.12Å; P159-I253 WeakPolarHBondContact CD-O 3.38Å; P159-L254 HydrophobicContact CG-CD2 4.02Å
160L91.2Very high88.1Confident5 Ų525.7 Ų25.73%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-96.4133.9170.3-73.886000109.2I135 Y136 V158 I169 V172 I173 L178 I181I135-L160 PolarHBondContact O-N 2.84Å; Y136-L160 HydrophobicContact CD2-CB 3.58Å; Y136-L160 HydrophobicContact CE2-CB 4.44Å; Y136-L160 HydrophobicContact CG-CB 4.22Å; V158-L160 HydrophobicContact CG1-CD1 4.45Å; V158-L160 WeakPolarHBondContact O-CD1 3.43Å; V158-L160 PolarHBondContact O-N 3.1Å; L160-I169 HydrophobicContact CD2-CG2 3.9Å; L160-V172 HydrophobicContact CD2-CG1 4.49Å; L160-V172 HydrophobicContact CG-CG1 4.16Å; L160-I173 HydrophobicContact CD2-CD1 4.3Å; L160-I173 HydrophobicContact CD2-CG1 4.04Å; L160-L178 HydrophobicContact CD1-CD1 4.11Å; L160-I181 HydrophobicContact CD1-CD1 3.93Å; L160-I181 HydrophobicContact CD2-CD1 4.3Å
161Y78.5Confident87.9Confident22 Ų2227.6 Ų27.69%0.08616%0.16CC..PPolyproline II helixtrans-79.2135.1179.4-164.9-127.5000111.9T163 F164 P301 S303 P678Y161-T163 HydrophobicContact CD1-CG2 4.11Å; Y161-T163 WeakPolarHBondContact CD1-OG1 3.44Å; Y161-T163 HydrophobicContact CE1-CG2 3.44Å; Y161-T163 VanDerWaalsContact CE1-CG2 3.44Å; Y161-T163 WeakPolarHBondContact CE1-OG1 3.45Å; Y161-T163 PolarHBondContact O-N 3.18Å; Y161-T163 VanDerWaalsContact O-N 3.14Å; Y161-F164 HydrophobicContact CD1-CD1 4.19Å; Y161-F164 HydrophobicContact CD1-CE1 4.43Å; Y161-F164 HydrophobicContact CG-CD1 4.45Å; Y161-F164 PolarHBondContact O-N 3.38Å; Y161-F164 VanDerWaalsContact O-N 3.17Å; Y161-P301 HydrophobicContact CD2-CB 4.28Å; Y161-P301 HydrophobicContact CE2-CB 3.58Å; Y161-P301 HydrophobicContact CE2-CG 3.55Å; Y161-S303 WeakPolarHBondContact CD2-OG 3.49Å; Y161-P678 HydrophobicContact CD1-CB 3.86Å; Y161-P678 HydrophobicContact CD1-CG 3.49Å; Y161-P678 VanDerWaalsContact CD1-CG 3.49Å; Y161-P678 HydrophobicContact CE1-CB 3.1Å; Y161-P678 HydrophobicContact CE1-CG 3.17Å; Y161-P678 HydrophobicContact CE2-CB 4.43Å; Y161-P678 VanDerWaalsContact CZ-CB 3.44Å; Y161-P678 WeakPolarHBondContact OH-CB 3.3Å; Y161-P678 PolarHBondContact OH-O 2.95Å
162S67.3Low87.7Confident55 Ų5527.5 Ų27.539%0.38516%0.159SC..THydrogen-bonded Turntrans-65.8-14.4-178.757.40000114.5
163T65.2Low87.6Confident49 Ų4927.4 Ų27.430%0.30116%0.158SC..THydrogen-bonded Turntrans-111.79.517791.30000113.4Y161 G165 V671Y161-T163 HydrophobicContact CD1-CG2 4.11Å; Y161-T163 WeakPolarHBondContact CD1-OG1 3.44Å; Y161-T163 HydrophobicContact CE1-CG2 3.44Å; Y161-T163 VanDerWaalsContact CE1-CG2 3.44Å; Y161-T163 WeakPolarHBondContact CE1-OG1 3.45Å; Y161-T163 PolarHBondContact O-N 3.18Å; Y161-T163 VanDerWaalsContact O-N 3.14Å; T163-G165 PolarHBondContact O-N 2.94Å; T163-V671 HydrophobicContact CG2-CG1 4.05Å; T163-V671 WeakPolarHBondContact OG1-CG1 3.49Å
164F68.3Low87.6Confident26 Ų2629.9 Ų29.911%0.11417%0.173CC..  trans-61.4136167.7-79.4-8000108.7Y161 A168 I169 V172 P263Y161-F164 HydrophobicContact CD1-CD1 4.19Å; Y161-F164 HydrophobicContact CD1-CE1 4.43Å; Y161-F164 HydrophobicContact CG-CD1 4.45Å; Y161-F164 PolarHBondContact O-N 3.38Å; Y161-F164 VanDerWaalsContact O-N 3.17Å; F164-A168 HydrophobicContact CB-CB 3.94Å; F164-A168 HydrophobicContact CD2-CB 4.34Å; F164-A168 HydrophobicContact CG-CB 4.07Å; F164-I169 HydrophobicContact CB-CD1 4.24Å; F164-I169 HydrophobicContact CB-CG1 3.57Å; F164-I169 WeakPolarHBondContact O-CD1 3.26Å; F164-V172 HydrophobicContact CD2-CG2 4.48Å; F164-V172 HydrophobicContact CE2-CG2 4.14Å; F164-P263 HydrophobicContact CE1-CG 4.41Å; F164-P263 HydrophobicContact CE2-CB 4.31Å; F164-P263 HydrophobicContact CE2-CG 4.16Å; F164-P263 HydrophobicContact CZ-CB 4.11Å; F164-P263 HydrophobicContact CZ-CG 4.1Å
165G72Confident87.5Confident47 Ų4730.9 Ų30.949%0.48518%0.176SC..  trans-67.4159.9167.400000110.7T163 E167 A168 I169T163-G165 PolarHBondContact O-N 2.94Å; G165-E167 VanDerWaalsContact C-N 3.27Å; G165-E167 PolarHBondContact O-N 3.24Å; G165-E167 VanDerWaalsContact O-N 3.15Å; G165-A168 WeakPolarHBondContact O-CA 3.45Å; G165-A168 WeakPolarHBondContact O-CB 3.11Å; G165-A168 PolarHBondContact O-N 3.1Å; G165-I169 PolarHBondContact O-N 2.92Å; G165-I169 VanDerWaalsContact O-N 3.09Å
166D86.4Confident87.5Confident83 Ų8330.6 Ų30.644%0.44418%0.175SC..Hα-helixtrans-50.4-43.9-174.3-60.610.4000112.9A168 I169 V170 H191 I195D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 2.77Å; D166-I169 PolarHBondContact O-N 3.21Å; D166-V170 WeakPolarHBondContact O-CB 3.33Å; D166-V170 WeakPolarHBondContact O-CG2 3.48Å; D166-V170 PolarHBondContact O-N 3.4Å; D166-H191 IonicContact OD1-CE1 3.37Å; D166-H191 PolarHBondContact OD1-CE1 3.46Å; D166-H191 IonicContact OD1-NE2 3.32Å; D166-H191 PolarHBondContact OD1-NE2 3.33Å; D166-H191 IonicContact OD2-CE1 2.66Å; D166-I195 HydrophobicContact CB-CB 4.41Å; D166-I195 HydrophobicContact CB-CD1 4.16Å; D166-I195 HydrophobicContact CB-CG2 4.08Å; D166-I195 WeakPolarHBondContact OD2-CG2 3.08Å
167E84.4Confident87.4Confident160 Ų16035.8 Ų35.875%0.74820%0.199SC*.Hα-helixtrans-60.2-40.5178.4-66.1-176.917300112.8G165 H171G165-E167 VanDerWaalsContact C-N 3.27Å; G165-E167 PolarHBondContact O-N 3.24Å; G165-E167 VanDerWaalsContact O-N 3.15Å; E167-H171 WeakPolarHBondContact O-CB 3.43Å; E167-H171 PolarHBondContact O-N 2.88Å
168A84.4Confident87.2Confident17 Ų1735.9 Ų35.914%0.1420%0.199CC..Hα-helixtrans-68.8-41.3178.200000111.2F164 G165 D166 H171 V172 P263F164-A168 HydrophobicContact CB-CB 3.94Å; F164-A168 HydrophobicContact CD2-CB 4.34Å; F164-A168 HydrophobicContact CG-CB 4.07Å; G165-A168 WeakPolarHBondContact O-CA 3.45Å; G165-A168 WeakPolarHBondContact O-CB 3.11Å; G165-A168 PolarHBondContact O-N 3.1Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 2.77Å; A168-H171 PolarHBondContact O-N 2.86Å; A168-V172 VanDerWaalsContact O-CG2 3.3Å; A168-V172 WeakPolarHBondContact O-CG2 3.46Å; A168-V172 PolarHBondContact O-N 2.8Å; A168-V172 VanDerWaalsContact O-N 3.07Å; A168-P263 HydrophobicContact CB-CG 3.57Å
169I88.8Confident87.1Confident0 Ų038.6 Ų38.60%021%0.211CC..Hα-helixtrans-62.9-49.1175.8-67.3176.9000110.8Y136 L160 F164 G165 D166 H171 V172 I173 L192 I195Y136-I169 HydrophobicContact CE2-CD1 4.14Å; L160-I169 HydrophobicContact CD2-CG2 3.9Å; F164-I169 HydrophobicContact CB-CD1 4.24Å; F164-I169 HydrophobicContact CB-CG1 3.57Å; F164-I169 WeakPolarHBondContact O-CD1 3.26Å; G165-I169 PolarHBondContact O-N 2.92Å; G165-I169 VanDerWaalsContact O-N 3.09Å; D166-I169 PolarHBondContact O-N 3.21Å; I169-H171 VanDerWaalsContact C-N 3.3Å; I169-H171 PolarHBondContact O-N 3.38Å; I169-V172 PolarHBondContact O-N 3.08Å; I169-I173 HydrophobicContact CG2-CD1 3.71Å; I169-I173 HydrophobicContact CG2-CG1 4.48Å; I169-I173 WeakPolarHBondContact O-CG1 3.18Å; I169-I173 PolarHBondContact O-N 3.45Å; I169-L192 HydrophobicContact CD1-CD2 4.39Å; I169-L192 HydrophobicContact CG2-CD2 3.42Å; I169-L192 VanDerWaalsContact CG2-CD2 3.42Å; I169-I195 HydrophobicContact CB-CD1 3.92Å; I169-I195 HydrophobicContact CD1-CD1 4.36Å; I169-I195 HydrophobicContact CG2-CD1 3.63Å
170V92.9Very high87.2Confident35 Ų3538.4 Ų38.421%0.21221%0.209CC..Hα-helixtrans-58.8-43.9178.2171.50000110.6D166 I173 N174 I195 N196D166-V170 WeakPolarHBondContact O-CB 3.33Å; D166-V170 WeakPolarHBondContact O-CG2 3.48Å; D166-V170 PolarHBondContact O-N 3.4Å; V170-I173 PolarHBondContact O-N 2.9Å; V170-N174 VanDerWaalsContact CG1-ND2 3.34Å; V170-N174 WeakPolarHBondContact CG1-ND2 3.38Å; V170-N174 VanDerWaalsContact O-CB 3.28Å; V170-N174 WeakPolarHBondContact O-CB 3.4Å; V170-N174 PolarHBondContact O-N 2.87Å; V170-N174 PolarHBondContact O-ND2 3.15Å; V170-I195 HydrophobicContact CG2-CB 4.14Å; V170-I195 HydrophobicContact CG2-CD1 4.19Å; V170-I195 HydrophobicContact CG2-CG1 4.07Å; V170-I195 WeakPolarHBondContact CG2-O 3.35Å; V170-N196 HydrophobicContact CG2-CB 4.1Å
171H91.7Very high87.4Confident40 Ų4038.1 Ų38.119%0.18521%0.208CC..Hα-helixtrans-57.9-49.7175.9171.465.1000112.2E167 A168 I169 I173 N174 E175 L262 P263E167-H171 WeakPolarHBondContact O-CB 3.43Å; E167-H171 PolarHBondContact O-N 2.88Å; A168-H171 PolarHBondContact O-N 2.86Å; I169-H171 VanDerWaalsContact C-N 3.3Å; I169-H171 PolarHBondContact O-N 3.38Å; H171-I173 PolarHBondContact O-N 2.89Å; H171-N174 PolarHBondContact O-N 2.85Å; H171-E175 IonicContact CE1-OE1 3.55Å; H171-E175 PolarHBondContact CE1-OE1 3.03Å; H171-E175 IonicContact NE2-OE1 3.72Å; H171-E175 IonicContact NE2-OE2 2.92Å; H171-E175 VanDerWaalsContact O-CB 3.29Å; H171-E175 WeakPolarHBondContact O-CB 3.44Å; H171-E175 PolarHBondContact O-N 3.19Å; H171-L262 HydrophobicContact CB-CB 4.32Å; H171-L262 HydrophobicContact CB-CD1 4.03Å; H171-L262 HydrophobicContact CB-CD2 3.94Å; H171-L262 HydrophobicContact CB-CG 4.31Å; H171-L262 WeakPolarHBondContact ND1-CD1 3.34Å; H171-P263 PolarHBondContact CD2-O 2.82Å; H171-P263 VanDerWaalsContact CD2-O 3.31Å; H171-P263 PolarHBondContact NE2-O 3.38Å
172V93Very high88.4Confident0 Ų037.1 Ų37.10%020%0.204CC..Hα-helixtrans-58.2-51.4179.2171.90000110.8V158 L160 F164 A168 I169 N174 E175 T176 Y255V158-V172 HydrophobicContact CG1-CG1 3.87Å; L160-V172 HydrophobicContact CD2-CG1 4.49Å; L160-V172 HydrophobicContact CG-CG1 4.16Å; F164-V172 HydrophobicContact CD2-CG2 4.48Å; F164-V172 HydrophobicContact CE2-CG2 4.14Å; A168-V172 VanDerWaalsContact O-CG2 3.3Å; A168-V172 WeakPolarHBondContact O-CG2 3.46Å; A168-V172 PolarHBondContact O-N 2.8Å; A168-V172 VanDerWaalsContact O-N 3.07Å; I169-V172 PolarHBondContact O-N 3.08Å; V172-N174 VanDerWaalsContact C-N 3.29Å; V172-N174 PolarHBondContact O-N 2.94Å; V172-E175 PolarHBondContact O-N 3.43Å; V172-T176 WeakPolarHBondContact O-CB 3.45Å; V172-T176 WeakPolarHBondContact O-CG2 3.46Å; V172-T176 PolarHBondContact O-N 2.7Å; V172-T176 VanDerWaalsContact O-N 3.11Å; V172-T176 PolarHBondContact O-OG1 2.86Å; V172-Y255 HydrophobicContact CB-CD2 4.46Å; V172-Y255 HydrophobicContact CB-CE1 4.48Å; V172-Y255 HydrophobicContact CB-CE2 4.35Å; V172-Y255 HydrophobicContact CG1-CD2 3.72Å; V172-Y255 HydrophobicContact CG1-CE2 3.57Å; V172-Y255 HydrophobicContact CG1-CG 4.29Å; V172-Y255 HydrophobicContact CG2-CD1 3.56Å; V172-Y255 HydrophobicContact CG2-CD2 3.93Å; V172-Y255 HydrophobicContact CG2-CE1 3.78Å; V172-Y255 HydrophobicContact CG2-CE2 4.17Å; V172-Y255 HydrophobicContact CG2-CG 3.61Å
173I95.4Very high89.7Confident0 Ų034.5 Ų34.50%019%0.186CC..Hα-helixtrans-58.9-42.6-179.3-66.4166.8000110.9L160 I169 V170 H171 T176 E177 L178 L192 N196 K199 L200L160-I173 HydrophobicContact CD2-CD1 4.3Å; L160-I173 HydrophobicContact CD2-CG1 4.04Å; I169-I173 HydrophobicContact CG2-CD1 3.71Å; I169-I173 HydrophobicContact CG2-CG1 4.48Å; I169-I173 WeakPolarHBondContact O-CG1 3.18Å; I169-I173 PolarHBondContact O-N 3.45Å; V170-I173 PolarHBondContact O-N 2.9Å; H171-I173 PolarHBondContact O-N 2.89Å; I173-T176 PolarHBondContact O-OG1 3.14Å; I173-E177 WeakPolarHBondContact O-CA 3.37Å; I173-E177 PolarHBondContact O-N 3.35Å; I173-L178 HydrophobicContact CG2-CB 4.29Å; I173-L178 PolarHBondContact O-N 3.49Å; I173-L178 VanDerWaalsContact O-N 3.07Å; I173-L192 HydrophobicContact CD1-CD2 4.41Å; I173-N196 HydrophobicContact CD1-CB 4.48Å; I173-N196 VanDerWaalsContact CG2-ND2 3.29Å; I173-N196 WeakPolarHBondContact CG2-ND2 3.43Å; I173-K199 HydrophobicContact CG2-CB 4.07Å; I173-L200 HydrophobicContact CD1-CD1 4.06Å; I173-L200 HydrophobicContact CG2-CD2 4.27Å; I173-L200 HydrophobicContact CG2-CG 4.23Å
174N95.3Very high91Very high63 Ų6332.9 Ų32.934%0.33718%0.175SC..Hα-helixtrans-73.5-43.2-177.4-72.2-16.4000112.8V170 H171 V172 T176 E177 N196V170-N174 VanDerWaalsContact CG1-ND2 3.34Å; V170-N174 WeakPolarHBondContact CG1-ND2 3.38Å; V170-N174 VanDerWaalsContact O-CB 3.28Å; V170-N174 WeakPolarHBondContact O-CB 3.4Å; V170-N174 PolarHBondContact O-N 2.87Å; V170-N174 PolarHBondContact O-ND2 3.15Å; H171-N174 PolarHBondContact O-N 2.85Å; V172-N174 VanDerWaalsContact C-N 3.29Å; V172-N174 PolarHBondContact O-N 2.94Å; N174-T176 VanDerWaalsContact C-N 3.34Å; N174-E177 PolarHBondContact O-N 3.48Å; N174-N196 PolarHBondContact OD1-ND2 3.06Å
175E95.4Very high92.1Very high33 Ų3332.9 Ų32.915%0.15418%0.177CC..Hα-helixtrans-64.2-43.2-178.9-173.2179.6-112.200110.9H171 V172 E177 Y255 Y502 K503H171-E175 IonicContact CE1-OE1 3.55Å; H171-E175 PolarHBondContact CE1-OE1 3.03Å; H171-E175 IonicContact NE2-OE1 3.72Å; H171-E175 IonicContact NE2-OE2 2.92Å; H171-E175 VanDerWaalsContact O-CB 3.29Å; H171-E175 WeakPolarHBondContact O-CB 3.44Å; H171-E175 PolarHBondContact O-N 3.19Å; V172-E175 PolarHBondContact O-N 3.43Å; E175-E177 VanDerWaalsContact C-N 3.32Å; E175-Y255 VanDerWaalsContact OE2-CE1 3.27Å; E175-Y255 WeakPolarHBondContact OE2-CE1 3.39Å; E175-Y255 PolarHBondContact OE2-OH 2.82Å; E175-Y502 HydrophobicContact CG-CD1 4Å; E175-Y502 HydrophobicContact CG-CE1 4.26Å; E175-Y502 WeakPolarHBondContact O-CE1 3.2Å; E175-K503 HydrophobicContact CG-CB 4.35Å; E175-K503 HydrophobicContact CG-CD 4.24Å; E175-K503 WeakPolarHBondContact O-CD 3.25Å; E175-K503 WeakPolarHBondContact O-CE 3.46Å; E175-K503 PolarHBondContact O-NZ 3.48Å
176T96.1Very high93Very high0 Ų030.8 Ų30.80%016%0.155CC..Hα-helixtrans-80.4-9.3178.657.10000114.5N130 F132 V158 V172 I173 N174 L178 Y255 Y502N130-T176 PolarHBondContact ND2-O 2.81Å; F132-T176 HydrophobicContact CD2-CG2 4.41Å; F132-T176 VanDerWaalsContact CD2-O 3.3Å; F132-T176 WeakPolarHBondContact CD2-O 3.43Å; F132-T176 HydrophobicContact CE2-CG2 4.38Å; V158-T176 HydrophobicContact CG1-CG2 4.15Å; V158-T176 HydrophobicContact CG2-CG2 4.29Å; V172-T176 WeakPolarHBondContact O-CB 3.45Å; V172-T176 WeakPolarHBondContact O-CG2 3.46Å; V172-T176 PolarHBondContact O-N 2.7Å; V172-T176 VanDerWaalsContact O-N 3.11Å; V172-T176 PolarHBondContact O-OG1 2.86Å; I173-T176 PolarHBondContact O-OG1 3.14Å; N174-T176 VanDerWaalsContact C-N 3.34Å; T176-L178 PolarHBondContact O-N 2.79Å; T176-L178 WeakPolarHBondContact OG1-CD1 3.47Å; T176-L178 WeakPolarHBondContact OG1-CG 3.21Å; T176-Y255 HydrophobicContact CG2-CE2 3.85Å; T176-Y255 WeakPolarHBondContact CG2-OH 3.19Å; T176-Y502 HydrophobicContact CG2-CD1 4.37Å; T176-Y502 HydrophobicContact CG2-CE1 4.22Å
177E95.3Very high93.2Very high113 Ų11330.7 Ų30.753%0.52816%0.161SC..THydrogen-bonded Turntrans52.840.2-175.1-60.8166.7-147.100112I173 N174 E175 K179 K503I173-E177 WeakPolarHBondContact O-CA 3.37Å; I173-E177 PolarHBondContact O-N 3.35Å; N174-E177 PolarHBondContact O-N 3.48Å; E175-E177 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 3.3Å; E177-K503 IonicContact OE1-NZ 3.75Å; E177-K503 PolarHBondContact OE1-NZ 2.82Å
178L95.8Very high93.5Very high1 Ų125.5 Ų25.51%0.00514%0.137CC..  trans-62.7125.9-177.3-88.1170.3000111.4F132 G134 V158 L160 I173 T176 L200F132-L178 HydrophobicContact CB-CD2 3.81Å; G134-L178 VanDerWaalsContact N-CD2 3.25Å; V158-L178 HydrophobicContact CB-CD1 4.13Å; V158-L178 HydrophobicContact CG1-CD1 4.01Å; V158-L178 HydrophobicContact CG2-CD2 4.41Å; L160-L178 HydrophobicContact CD1-CD1 4.11Å; I173-L178 HydrophobicContact CG2-CB 4.29Å; I173-L178 PolarHBondContact O-N 3.49Å; I173-L178 VanDerWaalsContact O-N 3.07Å; T176-L178 PolarHBondContact O-N 2.79Å; T176-L178 WeakPolarHBondContact OG1-CD1 3.47Å; T176-L178 WeakPolarHBondContact OG1-CG 3.21Å; L178-L200 HydrophobicContact CB-CD2 4.19Å; L178-L200 WeakPolarHBondContact O-CD2 3.46Å
179K95.8Very high93.9Very high57 Ų5724.7 Ų24.725%0.24813%0.13CC..  trans-108.2-29.2172.9-65.8-171.6174.3-155.40114I127 T129 E177 E201 V202I127-K179 HydrophobicContact CD1-CB 4.14Å; I127-K179 HydrophobicContact CD1-CD 4.46Å; T129-K179 WeakPolarHBondContact OG1-CD 3.43Å; E177-K179 PolarHBondContact O-N 3.3Å; K179-E201 HydrophobicContact CB-CB 4.44Å; K179-E201 HydrophobicContact CD-CG 4.44Å; K179-E201 VanDerWaalsContact CD-OE1 3.26Å; K179-E201 WeakPolarHBondContact CD-OE1 3.4Å; K179-E201 WeakPolarHBondContact CE-OE1 3.32Å; K179-E201 HydrophobicContact CG-CG 4.49Å; K179-E201 IonicContact NZ-OE1 3.83Å; K179-E201 PolarHBondContact NZ-OE1 2.91Å; K179-E201 IonicContact NZ-OE2 3.88Å; K179-E201 PolarHBondContact O-N 3.41Å; K179-V202 PolarHBondContact O-N 3.01Å
180I97.5Very high93.9Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-113.9129.2-179.1-54.1178.7000109.1V120 L123 M124 I127 T129 G134 V202 I204V120-I180 HydrophobicContact CG1-CD1 4.33Å; L123-I180 HydrophobicContact CD2-CD1 3.95Å; L123-I180 HydrophobicContact CG-CD1 4.2Å; M124-I180 HydrophobicContact CE-CD1 4.28Å; M124-I180 HydrophobicContact CG-CD1 3.6Å; I127-I180 HydrophobicContact CD1-CD1 3.97Å; I127-I180 HydrophobicContact CD1-CG1 3.77Å; T129-I180 HydrophobicContact CG2-CD1 4.19Å; G134-I180 PolarHBondContact N-O 3.45Å; I180-V202 HydrophobicContact CG1-CB 4.18Å; I180-V202 HydrophobicContact CG1-CG2 4.24Å; I180-V202 HydrophobicContact CG2-CB 4.39Å; I180-I204 HydrophobicContact CG2-CD1 4.01Å
181I97.1Very high93.7Very high0 Ų030.1 Ų30.10%015%0.149CC..EExtended strand (participates in β ladder)trans-135.5138.5175.4-167.3148000112.1G134 L160 L192 L200 V202 F203 I204G134-I181 CarbonylContact O-C 3.55Å; G134-I181 WeakPolarHBondContact O-CA 3.48Å; L160-I181 HydrophobicContact CD1-CD1 3.93Å; L160-I181 HydrophobicContact CD2-CD1 4.3Å; I181-L192 HydrophobicContact CD1-CD1 3.46Å; I181-L192 VanDerWaalsContact CD1-CD1 3.46Å; I181-L192 HydrophobicContact CG1-CD1 4.19Å; I181-L192 HydrophobicContact CG2-CD1 4.49Å; I181-L200 HydrophobicContact CB-CD2 3.96Å; I181-L200 HydrophobicContact CD1-CD2 4.49Å; I181-L200 HydrophobicContact CG2-CD1 3.96Å; I181-L200 HydrophobicContact CG2-CD2 3.89Å; I181-L200 HydrophobicContact CG2-CG 4.41Å; I181-V202 PolarHBondContact N-O 3.45Å; I181-F203 HydrophobicContact CG2-CD1 3.58Å; I181-F203 HydrophobicContact CG2-CE1 3.68Å; I181-F203 HydrophobicContact CG2-CG 4.16Å; I181-F203 HydrophobicContact CG2-CZ 4.31Å; I181-I204 PolarHBondContact O-N 3.34Å
182V97.9Very high93.8Very high0 Ų028.2 Ų28.20%014%0.141CC..EExtended strand (participates in β ladder)trans-101.6116.8172.7-167.20000108.8F116 I133 G134 I135 Y136 T146 I204 M206F116-V182 HydrophobicContact CZ-CG2 3.99Å; I133-V182 HydrophobicContact CG2-CG2 3.97Å; G134-V182 PolarHBondContact O-N 2.56Å; I135-V182 CarbonylContact C-O 3.57Å; I135-V182 WeakPolarHBondContact CA-O 3.48Å; I135-V182 HydrophobicContact CG2-CB 4.47Å; Y136-V182 PolarHBondContact N-O 2.95Å; T146-V182 HydrophobicContact CG2-CB 4.42Å; T146-V182 HydrophobicContact CG2-CG2 3.76Å; V182-I204 CarbonylContact C-O 3.5Å; V182-I204 VanDerWaalsContact CA-O 3.26Å; V182-I204 WeakPolarHBondContact CA-O 3.28Å; V182-I204 HydrophobicContact CB-CB 4.48Å; V182-I204 HydrophobicContact CG1-CB 4.28Å; V182-I204 HydrophobicContact CG1-CG2 4.24Å; V182-I204 HydrophobicContact CG2-CB 4.18Å; V182-I204 HydrophobicContact CG2-CD1 4.23Å; V182-M206 HydrophobicContact CB-CE 4.13Å; V182-M206 HydrophobicContact CG1-CE 3.45Å; V182-M206 VanDerWaalsContact CG1-CE 3.45Å; V182-M206 HydrophobicContact CG1-CG 3.75Å; V182-M206 HydrophobicContact CG1-SD 4.48Å
183C95.8Very high93.6Very high0 Ų030 Ų300%015%0.148CC..EExtended strand (participates in β ladder)trans-108.6142.7-177.1-650000111.4Y136 T185 A189 I204 I205 M206Y136-C183 CarbonylContact O-C 3.59Å; Y136-C183 VanDerWaalsContact O-CA 3.26Å; Y136-C183 WeakPolarHBondContact O-CA 3.43Å; C183-T185 VanDerWaalsContact C-N 3.33Å; C183-T185 PolarHBondContact O-N 2.95Å; C183-A189 HydrophobicContact CB-CB 4.21Å; C183-I204 PolarHBondContact N-O 2.72Å; C183-I205 HydrophobicContact CB-CD1 4.13Å; C183-M206 WeakPolarHBondContact O-CG 3.47Å; C183-M206 PolarHBondContact O-N 3.35Å
184D92.3Very high93.3Very high15 Ų1537.1 Ų37.18%0.0818%0.179CC..EExtended strand (participates in β ladder)trans-63.7-38.2177.266.1-0.6000113.1Y136 G137 K138 Q188 E207Y136-D184 PolarHBondContact O-N 3.32Å; G137-D184 VanDerWaalsContact CA-CG 3.42Å; G137-D184 VanDerWaalsContact CA-OD2 3.23Å; G137-D184 WeakPolarHBondContact CA-OD2 3.3Å; K138-D184 PolarHBondContact N-OD2 3.18Å; D184-Q188 VanDerWaalsContact OD1-CG 3.28Å; D184-Q188 WeakPolarHBondContact OD1-CG 3.1Å; D184-E207 WeakPolarHBondContact O-CB 3.5Å; D184-E207 PolarHBondContact O-N 3.24Å
185T91.7Very high93.1Very high26 Ų2635.8 Ų35.816%0.1617%0.171CC..EExtended strand (participates in β ladder)trans-140.6159.1-17258.90000111.4C183 S187 Q188 A189C183-T185 VanDerWaalsContact C-N 3.33Å; C183-T185 PolarHBondContact O-N 2.95Å; T185-S187 VanDerWaalsContact C-N 3.29Å; T185-S187 PolarHBondContact O-N 2.84Å; T185-Q188 PolarHBondContact O-N 2.92Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.28Å; T185-Q188 PolarHBondContact OG1-N 3.29Å; T185-A189 PolarHBondContact O-N 3.46Å
186V91.1Very high92.8Very high4 Ų434.9 Ų34.92%0.02417%0.167CC..Hα-helixtrans-63.4-36175-178.40000111.7Q188 A189 Y190 I205 F212 F215V186-Q188 VanDerWaalsContact C-N 3.32Å; V186-Q188 PolarHBondContact O-N 2.8Å; V186-A189 WeakPolarHBondContact O-CB 3.33Å; V186-A189 PolarHBondContact O-N 2.8Å; V186-Y190 PolarHBondContact O-N 3.42Å; V186-I205 HydrophobicContact CG2-CG2 3.94Å; V186-F212 HydrophobicContact CG2-CB 3.97Å; V186-F212 HydrophobicContact CG2-CD2 3.73Å; V186-F212 HydrophobicContact CG2-CG 4.35Å; V186-F215 HydrophobicContact CG1-CB 3.4Å; V186-F215 VanDerWaalsContact CG1-CB 3.4Å; V186-F215 HydrophobicContact CG1-CD1 3.84Å; V186-F215 HydrophobicContact CG1-CD2 3.94Å; V186-F215 HydrophobicContact CG1-CG 3.45Å; V186-F215 VanDerWaalsContact CG1-CG 3.45Å
187S89.7Confident92Very high80 Ų8037.8 Ų37.856%0.55919%0.186SC*.Hα-helixtrans-61.6-40.2178.1-174.20000112.2T185 Y190 H191T185-S187 VanDerWaalsContact C-N 3.29Å; T185-S187 PolarHBondContact O-N 2.84Å; S187-Y190 PolarHBondContact O-N 3.1Å; S187-H191 PolarHBondContact O-N 3.36Å
188Q90.2Very high91Very high51 Ų5140.9 Ų40.924%0.23820%0.201CC..Hα-helixtrans-69.1-40.1176.7-70.3-63.71.100111.4Y136 D184 T185 V186 Y190 H191 L192Y136-Q188 HydrophobicContact CD1-CB 3.86Å; Y136-Q188 HydrophobicContact CD1-CG 4.44Å; Y136-Q188 HydrophobicContact CE1-CB 3.68Å; Y136-Q188 HydrophobicContact CE1-CG 4.01Å; Y136-Q188 VanDerWaalsContact CZ-OE1 3.28Å; Y136-Q188 PolarHBondContact OH-OE1 2.77Å; D184-Q188 VanDerWaalsContact OD1-CG 3.28Å; D184-Q188 WeakPolarHBondContact OD1-CG 3.1Å; T185-Q188 PolarHBondContact O-N 2.92Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.28Å; T185-Q188 PolarHBondContact OG1-N 3.29Å; V186-Q188 VanDerWaalsContact C-N 3.32Å; V186-Q188 PolarHBondContact O-N 2.8Å; Q188-Y190 VanDerWaalsContact C-N 3.34Å; Q188-Y190 PolarHBondContact O-N 3.3Å; Q188-H191 PolarHBondContact O-N 3.47Å; Q188-L192 WeakPolarHBondContact O-CG 3.08Å; Q188-L192 PolarHBondContact O-N 3.18Å
189A92.1Very high90.5Very high0 Ų046.2 Ų46.20%022%0.224CC..Hα-helixtrans-59.3-44.4173.600000112.2C183 T185 V186 H191 L192 Y193 F203 I205 F215C183-A189 HydrophobicContact CB-CB 4.21Å; T185-A189 PolarHBondContact O-N 3.46Å; V186-A189 WeakPolarHBondContact O-CB 3.33Å; V186-A189 PolarHBondContact O-N 2.8Å; A189-H191 PolarHBondContact O-N 3.26Å; A189-L192 PolarHBondContact O-N 3.45Å; A189-Y193 PolarHBondContact O-N 2.96Å; A189-F203 HydrophobicContact CB-CD1 3.55Å; A189-F203 HydrophobicContact CB-CE1 3.95Å; A189-F203 HydrophobicContact CB-CG 4.41Å; A189-I205 HydrophobicContact CB-CD1 3.6Å; A189-F215 HydrophobicContact CB-CE1 4.3Å; A189-F215 HydrophobicContact CB-CZ 3.96Å
190Y89.3Confident90.4Very high100 Ų10043.7 Ų43.739%0.39221%0.213SC..Hα-helixtrans-59.9-45.1175.2-175.8-90.5000112.2V186 S187 Q188 K194 F215 W219V186-Y190 PolarHBondContact O-N 3.42Å; S187-Y190 PolarHBondContact O-N 3.1Å; Q188-Y190 VanDerWaalsContact C-N 3.34Å; Q188-Y190 PolarHBondContact O-N 3.3Å; Y190-K194 HydrophobicContact CE1-CD 4.46Å; Y190-K194 WeakPolarHBondContact O-CB 3.48Å; Y190-K194 PolarHBondContact O-N 2.79Å; Y190-K194 VanDerWaalsContact O-N 3.09Å; Y190-F215 HydrophobicContact CD2-CD2 4.04Å; Y190-F215 HydrophobicContact CD2-CE2 4.02Å; Y190-F215 HydrophobicContact CG-CE2 4.47Å; Y190-W219 AromaticContact CD2-CE2 3.99Å; Y190-W219 AromaticContact CD2-CH2 3.68Å; Y190-W219 HydrophobicContact CD2-CH2 3.68Å; Y190-W219 AromaticContact CD2-CZ2 3.32Å; Y190-W219 HydrophobicContact CD2-CZ2 3.32Å; Y190-W219 HydrophobicContact CE2-CH2 4.18Å; Y190-W219 AromaticContact CE2-CZ2 3.43Å; Y190-W219 HydrophobicContact CE2-CZ2 3.43Å; Y190-W219 VanDerWaalsContact CE2-CZ2 3.43Å; Y190-W219 HydrophobicContact CG-CH2 4.16Å; Y190-W219 HydrophobicContact CG-CZ2 4.21Å
191H90.2Very high90.2Very high49 Ų4947.1 Ų47.123%0.22723%0.229CC..Hα-helixtrans-59.7-49.8177173.163000112D166 S187 Q188 A189 Y193 K194 I195D166-H191 IonicContact OD1-CE1 3.37Å; D166-H191 PolarHBondContact OD1-CE1 3.46Å; D166-H191 IonicContact OD1-NE2 3.32Å; D166-H191 PolarHBondContact OD1-NE2 3.33Å; D166-H191 IonicContact OD2-CE1 2.66Å; S187-H191 PolarHBondContact O-N 3.36Å; Q188-H191 PolarHBondContact O-N 3.47Å; A189-H191 PolarHBondContact O-N 3.26Å; H191-Y193 PolarHBondContact O-N 3Å; H191-K194 WeakPolarHBondContact O-CB 3.25Å; H191-K194 PolarHBondContact O-N 3Å; H191-K194 VanDerWaalsContact O-N 3.14Å; H191-I195 WeakPolarHBondContact O-CG1 3.2Å; H191-I195 PolarHBondContact O-N 3.45Å; H191-I195 VanDerWaalsContact O-N 3.13Å
192L92.1Very high90.2Very high0 Ų047.1 Ų47.10%023%0.229CC..Hα-helixtrans-58.1-45.1-177.8-72.9-172.4000113.5Y136 I169 I173 I181 Q188 A189 I195 N196 L200 F203Y136-L192 HydrophobicContact CD1-CD1 3.47Å; Y136-L192 VanDerWaalsContact CD1-CD1 3.47Å; Y136-L192 HydrophobicContact CD1-CD2 3.82Å; Y136-L192 HydrophobicContact CD1-CG 3.64Å; Y136-L192 HydrophobicContact CE1-CD1 4.12Å; Y136-L192 HydrophobicContact CE1-CD2 3.67Å; Y136-L192 HydrophobicContact CE1-CG 3.74Å; Y136-L192 HydrophobicContact CG-CD1 4.04Å; Y136-L192 HydrophobicContact CG-CD2 4.4Å; I169-L192 HydrophobicContact CD1-CD2 4.39Å; I169-L192 HydrophobicContact CG2-CD2 3.42Å; I169-L192 VanDerWaalsContact CG2-CD2 3.42Å; I173-L192 HydrophobicContact CD1-CD2 4.41Å; I181-L192 HydrophobicContact CD1-CD1 3.46Å; I181-L192 VanDerWaalsContact CD1-CD1 3.46Å; I181-L192 HydrophobicContact CG1-CD1 4.19Å; I181-L192 HydrophobicContact CG2-CD1 4.49Å; Q188-L192 WeakPolarHBondContact O-CG 3.08Å; Q188-L192 PolarHBondContact O-N 3.18Å; A189-L192 PolarHBondContact O-N 3.45Å; L192-I195 HydrophobicContact CD2-CD1 4.41Å; L192-I195 WeakPolarHBondContact O-CG1 3.21Å; L192-I195 PolarHBondContact O-N 3.35Å; L192-N196 PolarHBondContact O-N 2.81Å; L192-L200 HydrophobicContact CB-CD1 4.17Å; L192-L200 HydrophobicContact CD1-CD1 4.36Å; L192-F203 HydrophobicContact CB-CE1 4.21Å; L192-F203 HydrophobicContact CD1-CE1 4.46Å
193Y89.7Confident90Very high39 Ų3947.1 Ų47.115%0.15323%0.229CC..Hα-helixtrans-71.4-33.3178.3174.9-82.4000112.6A189 H191 I195 N196 P197 F203 W219 K222 V223A189-Y193 PolarHBondContact O-N 2.96Å; H191-Y193 PolarHBondContact O-N 3Å; Y193-I195 VanDerWaalsContact C-N 3.27Å; Y193-I195 PolarHBondContact O-N 3.37Å; Y193-N196 CarbonylContact O-C 3.49Å; Y193-N196 PolarHBondContact O-N 3.34Å; Y193-P197 HydrophobicContact CE1-CB 4.5Å; Y193-P197 VanDerWaalsContact O-CA 3.23Å; Y193-P197 WeakPolarHBondContact O-CA 3.31Å; Y193-P197 WeakPolarHBondContact O-CB 3.45Å; Y193-P197 VanDerWaalsContact O-CD 3.31Å; Y193-P197 WeakPolarHBondContact O-CD 3.2Å; Y193-F203 HydrophobicContact CD2-CE2 4.41Å; Y193-W219 HydrophobicContact CD1-CD2 4.27Å; Y193-W219 AromaticContact CD1-CE3 3.73Å; Y193-W219 HydrophobicContact CD1-CE3 3.73Å; Y193-W219 AromaticContact CD1-CH2 2.95Å; Y193-W219 HydrophobicContact CD1-CH2 2.95Å; Y193-W219 AromaticContact CD1-CZ2 3.47Å; Y193-W219 HydrophobicContact CD1-CZ2 3.47Å; Y193-W219 VanDerWaalsContact CD1-CZ2 3.47Å; Y193-W219 AromaticContact CD1-CZ3 3.15Å; Y193-W219 HydrophobicContact CD1-CZ3 3.15Å; Y193-W219 AromaticContact CD2-CE3 3.79Å; Y193-W219 HydrophobicContact CD2-CE3 3.79Å; Y193-W219 HydrophobicContact CD2-CH2 4.3Å; Y193-W219 AromaticContact CD2-CZ3 3.6Å; Y193-W219 HydrophobicContact CD2-CZ3 3.6Å; Y193-W219 HydrophobicContact CE1-CD2 4.29Å; Y193-W219 HydrophobicContact CE1-CE3 4.06Å; Y193-W219 AromaticContact CE1-CH2 3.79Å; Y193-W219 HydrophobicContact CE1-CH2 3.79Å; Y193-W219 AromaticContact CE1-CZ2 3.88Å; Y193-W219 HydrophobicContact CE1-CZ2 3.88Å; Y193-W219 AromaticContact CE1-CZ3 3.93Å; Y193-W219 HydrophobicContact CE1-CZ3 3.93Å; Y193-W219 HydrophobicContact CE2-CE3 4.14Å; Y193-W219 HydrophobicContact CE2-CZ3 4.32Å; Y193-W219 AromaticContact CG-CE3 3.58Å; Y193-W219 HydrophobicContact CG-CE3 3.58Å; Y193-W219 AromaticContact CG-CH2 3.27Å; Y193-W219 HydrophobicContact CG-CH2 3.27Å; Y193-W219 HydrophobicContact CG-CZ2 4.19Å; Y193-W219 AromaticContact CG-CZ3 2.94Å; Y193-W219 HydrophobicContact CG-CZ3 2.94Å; Y193-K222 HydrophobicContact CE2-CB 4.49Å; Y193-K222 WeakPolarHBondContact OH-CD 3.46Å; Y193-V223 HydrophobicContact CD2-CG1 3.92Å; Y193-V223 HydrophobicContact CE2-CG1 3.72Å
194K89.6Confident90.1Very high148 Ų14847.1 Ų47.164%0.64323%0.229SC*.Hα-helixtrans-61.2-39.7175.8-178-178.6175.5-176.30111.2Y190 H191Y190-K194 HydrophobicContact CE1-CD 4.46Å; Y190-K194 WeakPolarHBondContact O-CB 3.48Å; Y190-K194 PolarHBondContact O-N 2.79Å; Y190-K194 VanDerWaalsContact O-N 3.09Å; H191-K194 WeakPolarHBondContact O-CB 3.25Å; H191-K194 PolarHBondContact O-N 3Å; H191-K194 VanDerWaalsContact O-N 3.14Å
195I90.6Very high90.3Very high35 Ų3546.4 Ų46.418%0.17923%0.225CC..Hα-helixtrans-84.7-25.9-17866.6174.6000113D166 I169 V170 H191 L192 Y193D166-I195 HydrophobicContact CB-CB 4.41Å; D166-I195 HydrophobicContact CB-CD1 4.16Å; D166-I195 HydrophobicContact CB-CG2 4.08Å; D166-I195 WeakPolarHBondContact OD2-CG2 3.08Å; I169-I195 HydrophobicContact CB-CD1 3.92Å; I169-I195 HydrophobicContact CD1-CD1 4.36Å; I169-I195 HydrophobicContact CG2-CD1 3.63Å; V170-I195 HydrophobicContact CG2-CB 4.14Å; V170-I195 HydrophobicContact CG2-CD1 4.19Å; V170-I195 HydrophobicContact CG2-CG1 4.07Å; V170-I195 WeakPolarHBondContact CG2-O 3.35Å; H191-I195 WeakPolarHBondContact O-CG1 3.2Å; H191-I195 PolarHBondContact O-N 3.45Å; H191-I195 VanDerWaalsContact O-N 3.13Å; L192-I195 HydrophobicContact CD2-CD1 4.41Å; L192-I195 WeakPolarHBondContact O-CG1 3.21Å; L192-I195 PolarHBondContact O-N 3.35Å; Y193-I195 VanDerWaalsContact C-N 3.27Å; Y193-I195 PolarHBondContact O-N 3.37Å
196N89.6Confident90.5Very high14 Ų1445.1 Ų45.18%0.07522%0.218CC..SBendtrans-137.766.4177.8-157.4-1.4000112.2V170 I173 N174 L192 Y193V170-N196 HydrophobicContact CG2-CB 4.1Å; I173-N196 HydrophobicContact CD1-CB 4.48Å; I173-N196 VanDerWaalsContact CG2-ND2 3.29Å; I173-N196 WeakPolarHBondContact CG2-ND2 3.43Å; N174-N196 PolarHBondContact OD1-ND2 3.06Å; L192-N196 PolarHBondContact O-N 2.81Å; Y193-N196 CarbonylContact O-C 3.49Å; Y193-N196 PolarHBondContact O-N 3.34Å
197P78.8Confident90.4Very high61 Ų6148.1 Ų48.140%0.39623%0.231SC..THydrogen-bonded Turntrans-63.2146.2179.727.7-34.3000109.6Y193 K199Y193-P197 HydrophobicContact CE1-CB 4.5Å; Y193-P197 VanDerWaalsContact O-CA 3.23Å; Y193-P197 WeakPolarHBondContact O-CA 3.31Å; Y193-P197 WeakPolarHBondContact O-CB 3.45Å; Y193-P197 VanDerWaalsContact O-CD 3.31Å; Y193-P197 WeakPolarHBondContact O-CD 3.2Å; P197-K199 PolarHBondContact O-N 3.37Å
198Q74Confident90.1Very high179 Ų17947 Ų4784%0.83622%0.222SC*.THydrogen-bonded Turntrans78.31.8171.1-46.4171-600117.8
199K85.9Confident89.8Confident113 Ų11349.4 Ų49.449%0.49123%0.233SC..THydrogen-bonded Turntrans-98.8-43.7173.1-69.3-67.1-174.6-177.70113.7I173 P197I173-K199 HydrophobicContact CG2-CB 4.07Å; P197-K199 PolarHBondContact O-N 3.37Å
200L93.6Very high89.1Confident4 Ų455 Ų552%0.02127%0.273CS..  trans-80.6121.1175.2-65.2168.1000109.2I173 L178 I181 L192 F203I173-L200 HydrophobicContact CD1-CD1 4.06Å; I173-L200 HydrophobicContact CG2-CD2 4.27Å; I173-L200 HydrophobicContact CG2-CG 4.23Å; L178-L200 HydrophobicContact CB-CD2 4.19Å; L178-L200 WeakPolarHBondContact O-CD2 3.46Å; I181-L200 HydrophobicContact CB-CD2 3.96Å; I181-L200 HydrophobicContact CD1-CD2 4.49Å; I181-L200 HydrophobicContact CG2-CD1 3.96Å; I181-L200 HydrophobicContact CG2-CD2 3.89Å; I181-L200 HydrophobicContact CG2-CG 4.41Å; L192-L200 HydrophobicContact CB-CD1 4.17Å; L192-L200 HydrophobicContact CD1-CD1 4.36Å; L200-F203 HydrophobicContact CB-CE2 3.66Å; L200-F203 HydrophobicContact CB-CZ 3.74Å; L200-F203 HydrophobicContact CD1-CE1 3.96Å; L200-F203 HydrophobicContact CD1-CE2 4.32Å; L200-F203 HydrophobicContact CD1-CZ 3.52Å; L200-F203 HydrophobicContact CG-CZ 4.28Å
201E93.6Very high88.5Confident71 Ų7153.2 Ų53.233%0.33227%0.272SS..  trans-98.3-26.8179.5-66.5-178.6-153.200111.9K179 R224K179-E201 HydrophobicContact CB-CB 4.44Å; K179-E201 HydrophobicContact CD-CG 4.44Å; K179-E201 VanDerWaalsContact CD-OE1 3.26Å; K179-E201 WeakPolarHBondContact CD-OE1 3.4Å; K179-E201 WeakPolarHBondContact CE-OE1 3.32Å; K179-E201 HydrophobicContact CG-CG 4.49Å; K179-E201 IonicContact NZ-OE1 3.83Å; K179-E201 PolarHBondContact NZ-OE1 2.91Å; K179-E201 IonicContact NZ-OE2 3.88Å; K179-E201 PolarHBondContact O-N 3.41Å; E201-R224 PolarHBondContact O-N 3.15Å
202V95.3Very high88.1Confident0 Ų051.9 Ų51.90%027%0.266CS..EExtended strand (participates in β ladder)trans-133.8127.9-177.4-167.40000112.3L123 I127 K179 I180 I181 I204 R224 F226L123-V202 HydrophobicContact CD1-CG2 4.13Å; L123-V202 HydrophobicContact CD2-CB 4.2Å; L123-V202 HydrophobicContact CD2-CG1 3.65Å; L123-V202 HydrophobicContact CD2-CG2 4.08Å; L123-V202 HydrophobicContact CG-CG2 4.32Å; I127-V202 HydrophobicContact CD1-CG2 3.92Å; K179-V202 PolarHBondContact O-N 3.01Å; I180-V202 HydrophobicContact CG1-CB 4.18Å; I180-V202 HydrophobicContact CG1-CG2 4.24Å; I180-V202 HydrophobicContact CG2-CB 4.39Å; I181-V202 PolarHBondContact N-O 3.45Å; V202-I204 HydrophobicContact CG1-CG1 4.37Å; V202-R224 WeakPolarHBondContact CA-O 3.35Å; V202-R224 HydrophobicContact CB-CB 4.45Å; V202-R224 HydrophobicContact CG1-CB 4.1Å; V202-R224 HydrophobicContact CG2-CB 4.11Å; V202-F226 HydrophobicContact CG1-CD2 3.75Å; V202-F226 HydrophobicContact CG1-CE2 3.89Å
203F95.1Very high87.6Confident0 Ų059.1 Ų59.10%030%0.3CS..EExtended strand (participates in β ladder)trans-111.6128.8172.2-73.6-97000110.2I181 A189 L192 Y193 L200 I205 V223 R224 L225 F226I181-F203 HydrophobicContact CG2-CD1 3.58Å; I181-F203 HydrophobicContact CG2-CE1 3.68Å; I181-F203 HydrophobicContact CG2-CG 4.16Å; I181-F203 HydrophobicContact CG2-CZ 4.31Å; A189-F203 HydrophobicContact CB-CD1 3.55Å; A189-F203 HydrophobicContact CB-CE1 3.95Å; A189-F203 HydrophobicContact CB-CG 4.41Å; L192-F203 HydrophobicContact CB-CE1 4.21Å; L192-F203 HydrophobicContact CD1-CE1 4.46Å; Y193-F203 HydrophobicContact CD2-CE2 4.41Å; L200-F203 HydrophobicContact CB-CE2 3.66Å; L200-F203 HydrophobicContact CB-CZ 3.74Å; L200-F203 HydrophobicContact CD1-CE1 3.96Å; L200-F203 HydrophobicContact CD1-CE2 4.32Å; L200-F203 HydrophobicContact CD1-CZ 3.52Å; L200-F203 HydrophobicContact CG-CZ 4.28Å; F203-I205 HydrophobicContact CB-CD1 4.44Å; F203-V223 HydrophobicContact CD2-CB 4.06Å; F203-V223 HydrophobicContact CD2-CG1 4.24Å; F203-V223 HydrophobicContact CD2-CG2 3.92Å; F203-V223 HydrophobicContact CE2-CB 4.35Å; F203-V223 HydrophobicContact CE2-CG1 4.02Å; F203-V223 HydrophobicContact CE2-CG2 4.36Å; F203-R224 PolarHBondContact N-O 3.32Å; F203-L225 HydrophobicContact CB-CD1 3.86Å; F203-F226 PolarHBondContact O-N 3.3Å
204I96.8Very high87.3Confident0 Ų060.8 Ų60.80%032%0.317CS..EExtended strand (participates in β ladder)trans-115.4115.4173.8-56.5168.9000108.2F116 V120 I180 I181 V182 C183 V202 F226 M231F116-I204 HydrophobicContact CE2-CD1 4.48Å; F116-I204 HydrophobicContact CE2-CG2 4.12Å; F116-I204 HydrophobicContact CZ-CD1 4.12Å; F116-I204 HydrophobicContact CZ-CG2 4.49Å; V120-I204 HydrophobicContact CG2-CD1 4.2Å; I180-I204 HydrophobicContact CG2-CD1 4.01Å; I181-I204 PolarHBondContact O-N 3.34Å; V182-I204 CarbonylContact C-O 3.5Å; V182-I204 VanDerWaalsContact CA-O 3.26Å; V182-I204 WeakPolarHBondContact CA-O 3.28Å; V182-I204 HydrophobicContact CB-CB 4.48Å; V182-I204 HydrophobicContact CG1-CB 4.28Å; V182-I204 HydrophobicContact CG1-CG2 4.24Å; V182-I204 HydrophobicContact CG2-CB 4.18Å; V182-I204 HydrophobicContact CG2-CD1 4.23Å; C183-I204 PolarHBondContact N-O 2.72Å; V202-I204 HydrophobicContact CG1-CG1 4.37Å; I204-F226 CarbonylContact C-O 3.57Å; I204-F226 VanDerWaalsContact CA-O 3.28Å; I204-F226 WeakPolarHBondContact CA-O 3.37Å; I204-F226 HydrophobicContact CG1-CB 4.48Å; I204-M231 HydrophobicContact CD1-CE 3.87Å; I204-M231 HydrophobicContact CD1-CG 4.16Å; I204-M231 HydrophobicContact CD1-SD 4.36Å; I204-M231 HydrophobicContact CG1-CG 4.24Å; I204-M231 HydrophobicContact CG2-CG 3.83Å
205I96.1Very high86.7Confident0 Ų054 Ų540%029%0.287CS..EExtended strand (participates in β ladder)trans-94.6122.4-174.4-51.6-54.6000110.3C183 V186 A189 F203 P208 F212 L225 F226 F228C183-I205 HydrophobicContact CB-CD1 4.13Å; V186-I205 HydrophobicContact CG2-CG2 3.94Å; A189-I205 HydrophobicContact CB-CD1 3.6Å; F203-I205 HydrophobicContact CB-CD1 4.44Å; I205-P208 HydrophobicContact CG2-CB 4.46Å; I205-F212 HydrophobicContact CB-CE2 4.25Å; I205-F212 HydrophobicContact CG1-CD2 4.3Å; I205-F212 HydrophobicContact CG1-CE2 3.91Å; I205-L225 HydrophobicContact CD1-CD1 4.14Å; I205-L225 HydrophobicContact CG1-CD1 3.71Å; I205-F226 PolarHBondContact N-O 3Å; I205-F228 PolarHBondContact O-N 3.07Å
206M96.1Very high86.3Confident0 Ų056.3 Ų56.30%030%0.297CS..EExtended strand (participates in β ladder)trans-69.1-56.1177.4-60.7-177.6-170.600110.8I135 S140 K142 W143 V182 C183 P208I135-M206 HydrophobicContact CG2-CE 3.49Å; I135-M206 VanDerWaalsContact CG2-CE 3.49Å; S140-M206 PolarHBondContact OG-SD 3.46Å; S140-M206 VanDerWaalsContact OG-SD 3.36Å; K142-M206 HydrophobicContact CB-CB 4.12Å; K142-M206 HydrophobicContact CB-CG 3.9Å; K142-M206 HydrophobicContact CB-SD 3.9Å; K142-M206 HydrophobicContact CD-CB 3.75Å; K142-M206 HydrophobicContact CD-CG 4.42Å; K142-M206 VanDerWaalsContact CD-O 3.31Å; K142-M206 WeakPolarHBondContact CD-O 3.38Å; K142-M206 WeakPolarHBondContact CE-O 3.31Å; K142-M206 PolarHBondContact NZ-O 3.49Å; W143-M206 HydrophobicContact CB-CE 4.03Å; W143-M206 HydrophobicContact CB-SD 4.37Å; W143-M206 HydrophobicContact CG-CE 4.4Å; V182-M206 HydrophobicContact CB-CE 4.13Å; V182-M206 HydrophobicContact CG1-CE 3.45Å; V182-M206 VanDerWaalsContact CG1-CE 3.45Å; V182-M206 HydrophobicContact CG1-CG 3.75Å; V182-M206 HydrophobicContact CG1-SD 4.48Å; C183-M206 WeakPolarHBondContact O-CG 3.47Å; C183-M206 PolarHBondContact O-N 3.35Å; M206-P208 WeakPolarHBondContact O-CD 3.43Å
207E90.3Very high86Confident67 Ų6764.2 Ų64.231%0.31333%0.331SS..EExtended strand (participates in β ladder)trans-118.794.6-177.9-51.2-73-156.200109.1K93 K142 D184 E209K93-E207 IonicContact NZ-OE1 2.77Å; K93-E207 PolarHBondContact NZ-OE1 2.8Å; K142-E207 IonicContact NZ-OE2 3.67Å; K142-E207 PolarHBondContact NZ-OE2 3.09Å; D184-E207 WeakPolarHBondContact O-CB 3.5Å; D184-E207 PolarHBondContact O-N 3.24Å; E207-E209 PolarHBondContact O-N 3.11Å
208P83.9Confident86.3Confident57 Ų5766.3 Ų66.337%0.3734%0.335SS..  trans-70.1118.1177.527.8-32.7000110.2I205 M206 F212 T227I205-P208 HydrophobicContact CG2-CB 4.46Å; M206-P208 WeakPolarHBondContact O-CD 3.43Å; P208-F212 HydrophobicContact CB-CB 4.07Å; P208-F212 HydrophobicContact CB-CD2 3.76Å; P208-F212 HydrophobicContact CB-CE2 4.39Å; P208-F212 HydrophobicContact CB-CG 3.91Å; P208-T227 HydrophobicContact CB-CG2 4.16Å; P208-T227 HydrophobicContact CG-CG2 4.03Å
209E83.1Confident86.6Confident100 Ų10058 Ų5847%0.46730%0.297SS..  trans-88.6177.3175.7-64179.5174.100111.3E207 T211 F212E207-E209 PolarHBondContact O-N 3.11Å; E209-T211 PolarHBondContact O-N 3.29Å; E209-F212 VanDerWaalsContact O-CB 3.25Å; E209-F212 WeakPolarHBondContact O-CB 3.39Å; E209-F212 PolarHBondContact O-N 3.07Å
210S78.3Confident86.3Confident119 Ų11955.6 Ų55.683%0.83229%0.294SS*.THydrogen-bonded Turntrans-54.9-23.1178.561.70000114.8F212S210-F212 VanDerWaalsContact C-N 3.32Å
211T76.4Confident85.9Confident61 Ų6162.8 Ų62.837%0.37433%0.332SS..THydrogen-bonded Turntrans-82.2-3.9178.252.90000114E209 Q213 S214 F215E209-T211 PolarHBondContact O-N 3.29Å; T211-Q213 VanDerWaalsContact C-N 3.34Å; T211-Q213 PolarHBondContact O-N 2.88Å; T211-S214 PolarHBondContact O-N 2.98Å; T211-S214 PolarHBondContact O-OG 3.32Å; T211-F215 PolarHBondContact O-N 3.27Å; T211-F215 VanDerWaalsContact O-N 3.09Å
212F81.4Confident85.6Confident21 Ų2164.9 Ų64.99%0.09234%0.34CS..Hα-helixtrans-56.7-45.4179.9-176.3-93.3000112.2V186 I205 P208 E209 S210 S214 F215 E216 L225 T227V186-F212 HydrophobicContact CG2-CB 3.97Å; V186-F212 HydrophobicContact CG2-CD2 3.73Å; V186-F212 HydrophobicContact CG2-CG 4.35Å; I205-F212 HydrophobicContact CB-CE2 4.25Å; I205-F212 HydrophobicContact CG1-CD2 4.3Å; I205-F212 HydrophobicContact CG1-CE2 3.91Å; P208-F212 HydrophobicContact CB-CB 4.07Å; P208-F212 HydrophobicContact CB-CD2 3.76Å; P208-F212 HydrophobicContact CB-CE2 4.39Å; P208-F212 HydrophobicContact CB-CG 3.91Å; E209-F212 VanDerWaalsContact O-CB 3.25Å; E209-F212 WeakPolarHBondContact O-CB 3.39Å; E209-F212 PolarHBondContact O-N 3.07Å; S210-F212 VanDerWaalsContact C-N 3.32Å; F212-S214 PolarHBondContact O-N 2.66Å; F212-F215 WeakPolarHBondContact O-CB 3.5Å; F212-F215 PolarHBondContact O-N 3.46Å; F212-F215 VanDerWaalsContact O-N 3.16Å; F212-E216 HydrophobicContact CE1-CB 4.44Å; F212-E216 WeakPolarHBondContact O-CB 3.28Å; F212-E216 PolarHBondContact O-N 3.38Å; F212-L225 HydrophobicContact CD2-CD2 4.43Å; F212-L225 HydrophobicContact CE1-CD2 4.39Å; F212-L225 HydrophobicContact CE2-CD1 4.15Å; F212-L225 HydrophobicContact CE2-CD2 3.7Å; F212-L225 HydrophobicContact CE2-CG 3.88Å; F212-L225 HydrophobicContact CZ-CD2 3.68Å; F212-L225 HydrophobicContact CZ-CG 3.87Å; F212-T227 HydrophobicContact CE1-CG2 4.1Å; F212-T227 HydrophobicContact CE2-CG2 3.81Å; F212-T227 HydrophobicContact CZ-CG2 3.56Å
213Q81.9Confident85.4Confident153 Ų15365.2 Ų65.272%0.71534%0.342SS*.Hα-helixtrans-63.5-38.4-178.7-67.9179.1-3.700113.1T211 K217T211-Q213 VanDerWaalsContact C-N 3.34Å; T211-Q213 PolarHBondContact O-N 2.88Å; Q213-K217 WeakPolarHBondContact O-CB 3.45Å; Q213-K217 PolarHBondContact O-N 3.42Å
214S82Confident85.3Confident73 Ų7370 Ų7051%0.5136%0.361SS..Hα-helixtrans-67.3-40.2175.445.10000111.8T211 F212 E218T211-S214 PolarHBondContact O-N 2.98Å; T211-S214 PolarHBondContact O-OG 3.32Å; F212-S214 PolarHBondContact O-N 2.66Å; S214-E218 PolarHBondContact O-N 3.28Å
215F78.8Confident85.1Confident7 Ų771.1 Ų71.13%0.03137%0.366CS..Hα-helixtrans-65.4-48.5177.9-177.9-103000111.1V186 A189 Y190 T211 F212 K217 E218 W219 L225V186-F215 HydrophobicContact CG1-CB 3.4Å; V186-F215 VanDerWaalsContact CG1-CB 3.4Å; V186-F215 HydrophobicContact CG1-CD1 3.84Å; V186-F215 HydrophobicContact CG1-CD2 3.94Å; V186-F215 HydrophobicContact CG1-CG 3.45Å; V186-F215 VanDerWaalsContact CG1-CG 3.45Å; A189-F215 HydrophobicContact CB-CE1 4.3Å; A189-F215 HydrophobicContact CB-CZ 3.96Å; Y190-F215 HydrophobicContact CD2-CD2 4.04Å; Y190-F215 HydrophobicContact CD2-CE2 4.02Å; Y190-F215 HydrophobicContact CG-CE2 4.47Å; T211-F215 PolarHBondContact O-N 3.27Å; T211-F215 VanDerWaalsContact O-N 3.09Å; F212-F215 WeakPolarHBondContact O-CB 3.5Å; F212-F215 PolarHBondContact O-N 3.46Å; F212-F215 VanDerWaalsContact O-N 3.16Å; F215-K217 PolarHBondContact O-N 2.95Å; F215-E218 PolarHBondContact O-N 2.93Å; F215-W219 HydrophobicContact CD2-CD2 4.21Å; F215-W219 HydrophobicContact CD2-CE3 4.42Å; F215-W219 HydrophobicContact CD2-CG 4.35Å; F215-W219 HydrophobicContact CE1-CE3 4.44Å; F215-W219 AromaticContact CE2-CD2 3.6Å; F215-W219 HydrophobicContact CE2-CD2 3.6Å; F215-W219 AromaticContact CE2-CE2 3.89Å; F215-W219 AromaticContact CE2-CE3 3.41Å; F215-W219 HydrophobicContact CE2-CE3 3.41Å; F215-W219 VanDerWaalsContact CE2-CE3 3.41Å; F215-W219 HydrophobicContact CE2-CG 4.12Å; F215-W219 AromaticContact CE2-CH2 3.75Å; F215-W219 HydrophobicContact CE2-CH2 3.75Å; F215-W219 HydrophobicContact CE2-CZ2 4.09Å; F215-W219 AromaticContact CE2-CZ3 3.34Å; F215-W219 HydrophobicContact CE2-CZ3 3.34Å; F215-W219 AromaticContact CZ-CD2 3.97Å; F215-W219 HydrophobicContact CZ-CD2 3.97Å; F215-W219 AromaticContact CZ-CE3 3.42Å; F215-W219 HydrophobicContact CZ-CE3 3.42Å; F215-W219 VanDerWaalsContact CZ-CE3 3.42Å; F215-W219 HydrophobicContact CZ-CG 4.42Å; F215-W219 HydrophobicContact CZ-CH2 4.38Å; F215-W219 AromaticContact CZ-CZ3 3.53Å; F215-W219 HydrophobicContact CZ-CZ3 3.53Å; F215-W219 VanDerWaalsContact O-CB 3.3Å; F215-W219 WeakPolarHBondContact O-CB 3.48Å; F215-W219 PolarHBondContact O-N 3.31Å; F215-W219 VanDerWaalsContact O-N 3.09Å; F215-L225 HydrophobicContact CD1-CD1 4.16Å; F215-L225 HydrophobicContact CD1-CD2 3.62Å; F215-L225 HydrophobicContact CE1-CD1 3.77Å; F215-L225 HydrophobicContact CE1-CD2 3.99Å; F215-L225 HydrophobicContact CE1-CG 4.49Å
216E80.6Confident85Confident82 Ų8272.8 Ų72.838%0.38337%0.373SS..Hα-helixtrans-53.5-51.4175.3-175.3179.6-161.700111.2F212 E218 W219 S220 L225F212-E216 HydrophobicContact CE1-CB 4.44Å; F212-E216 WeakPolarHBondContact O-CB 3.28Å; F212-E216 PolarHBondContact O-N 3.38Å; E216-E218 VanDerWaalsContact C-N 3.32Å; E216-E218 PolarHBondContact O-N 3.44Å; E216-W219 PolarHBondContact O-N 3.11Å; E216-S220 WeakPolarHBondContact O-CB 3.09Å; E216-S220 PolarHBondContact O-N 3.05Å; E216-S220 PolarHBondContact O-OG 3.18Å; E216-L225 HydrophobicContact CB-CD2 3.78Å; E216-L225 HydrophobicContact CG-CD2 4.16Å
217K84.9Confident85Confident181 Ų18173.5 Ų73.579%0.78738%0.378SS*.Hα-helixtrans-61.4-35.6-178.7-175.1177.6179-179.10114Q213 F215Q213-K217 WeakPolarHBondContact O-CB 3.45Å; Q213-K217 PolarHBondContact O-N 3.42Å; F215-K217 PolarHBondContact O-N 2.95Å
218E83.5Confident85.4Confident104 Ų10470.4 Ų70.449%0.48636%0.364SS..Hα-helixtrans-84.4-19.3-177177.8-159.3150.100112.1S214 F215 E216 K222S214-E218 PolarHBondContact O-N 3.28Å; F215-E218 PolarHBondContact O-N 2.93Å; E216-E218 VanDerWaalsContact C-N 3.32Å; E216-E218 PolarHBondContact O-N 3.44Å; E218-K222 WeakPolarHBondContact O-CE 3.49Å; E218-K222 PolarHBondContact O-NZ 3.21Å; E218-K222 VanDerWaalsContact O-NZ 3.11Å
219W81Confident86.1Confident6 Ų671.5 Ų71.52%0.02336%0.363CS..Hα-helixtrans-127.2-11.8-165.1-68.255.7000115.3Y190 Y193 F215 E216 D221 K222 V223Y190-W219 AromaticContact CD2-CE2 3.99Å; Y190-W219 AromaticContact CD2-CH2 3.68Å; Y190-W219 HydrophobicContact CD2-CH2 3.68Å; Y190-W219 AromaticContact CD2-CZ2 3.32Å; Y190-W219 HydrophobicContact CD2-CZ2 3.32Å; Y190-W219 HydrophobicContact CE2-CH2 4.18Å; Y190-W219 AromaticContact CE2-CZ2 3.43Å; Y190-W219 HydrophobicContact CE2-CZ2 3.43Å; Y190-W219 VanDerWaalsContact CE2-CZ2 3.43Å; Y190-W219 HydrophobicContact CG-CH2 4.16Å; Y190-W219 HydrophobicContact CG-CZ2 4.21Å; Y193-W219 HydrophobicContact CD1-CD2 4.27Å; Y193-W219 AromaticContact CD1-CE3 3.73Å; Y193-W219 HydrophobicContact CD1-CE3 3.73Å; Y193-W219 AromaticContact CD1-CH2 2.95Å; Y193-W219 HydrophobicContact CD1-CH2 2.95Å; Y193-W219 AromaticContact CD1-CZ2 3.47Å; Y193-W219 HydrophobicContact CD1-CZ2 3.47Å; Y193-W219 VanDerWaalsContact CD1-CZ2 3.47Å; Y193-W219 AromaticContact CD1-CZ3 3.15Å; Y193-W219 HydrophobicContact CD1-CZ3 3.15Å; Y193-W219 AromaticContact CD2-CE3 3.79Å; Y193-W219 HydrophobicContact CD2-CE3 3.79Å; Y193-W219 HydrophobicContact CD2-CH2 4.3Å; Y193-W219 AromaticContact CD2-CZ3 3.6Å; Y193-W219 HydrophobicContact CD2-CZ3 3.6Å; Y193-W219 HydrophobicContact CE1-CD2 4.29Å; Y193-W219 HydrophobicContact CE1-CE3 4.06Å; Y193-W219 AromaticContact CE1-CH2 3.79Å; Y193-W219 HydrophobicContact CE1-CH2 3.79Å; Y193-W219 AromaticContact CE1-CZ2 3.88Å; Y193-W219 HydrophobicContact CE1-CZ2 3.88Å; Y193-W219 AromaticContact CE1-CZ3 3.93Å; Y193-W219 HydrophobicContact CE1-CZ3 3.93Å; Y193-W219 HydrophobicContact CE2-CE3 4.14Å; Y193-W219 HydrophobicContact CE2-CZ3 4.32Å; Y193-W219 AromaticContact CG-CE3 3.58Å; Y193-W219 HydrophobicContact CG-CE3 3.58Å; Y193-W219 AromaticContact CG-CH2 3.27Å; Y193-W219 HydrophobicContact CG-CH2 3.27Å; Y193-W219 HydrophobicContact CG-CZ2 4.19Å; Y193-W219 AromaticContact CG-CZ3 2.94Å; Y193-W219 HydrophobicContact CG-CZ3 2.94Å; F215-W219 HydrophobicContact CD2-CD2 4.21Å; F215-W219 HydrophobicContact CD2-CE3 4.42Å; F215-W219 HydrophobicContact CD2-CG 4.35Å; F215-W219 HydrophobicContact CE1-CE3 4.44Å; F215-W219 AromaticContact CE2-CD2 3.6Å; F215-W219 HydrophobicContact CE2-CD2 3.6Å; F215-W219 AromaticContact CE2-CE2 3.89Å; F215-W219 AromaticContact CE2-CE3 3.41Å; F215-W219 HydrophobicContact CE2-CE3 3.41Å; F215-W219 VanDerWaalsContact CE2-CE3 3.41Å; F215-W219 HydrophobicContact CE2-CG 4.12Å; F215-W219 AromaticContact CE2-CH2 3.75Å; F215-W219 HydrophobicContact CE2-CH2 3.75Å; F215-W219 HydrophobicContact CE2-CZ2 4.09Å; F215-W219 AromaticContact CE2-CZ3 3.34Å; F215-W219 HydrophobicContact CE2-CZ3 3.34Å; F215-W219 AromaticContact CZ-CD2 3.97Å; F215-W219 HydrophobicContact CZ-CD2 3.97Å; F215-W219 AromaticContact CZ-CE3 3.42Å; F215-W219 HydrophobicContact CZ-CE3 3.42Å; F215-W219 VanDerWaalsContact CZ-CE3 3.42Å; F215-W219 HydrophobicContact CZ-CG 4.42Å; F215-W219 HydrophobicContact CZ-CH2 4.38Å; F215-W219 AromaticContact CZ-CZ3 3.53Å; F215-W219 HydrophobicContact CZ-CZ3 3.53Å; F215-W219 VanDerWaalsContact O-CB 3.3Å; F215-W219 WeakPolarHBondContact O-CB 3.48Å; F215-W219 PolarHBondContact O-N 3.31Å; F215-W219 VanDerWaalsContact O-N 3.09Å; E216-W219 PolarHBondContact O-N 3.11Å; W219-D221 PolarHBondContact O-N 3.44Å; W219-D221 VanDerWaalsContact O-N 3.09Å; W219-K222 PolarHBondContact O-N 3.42Å; W219-V223 HydrophobicContact CB-CG2 4.21Å; W219-V223 HydrophobicContact CE3-CG2 4.4Å; W219-V223 PolarHBondContact O-N 3.46Å
220S80.1Confident86.7Confident62 Ų6270 Ų7043%0.43436%0.356SS..THydrogen-bonded Turntrans-54.7-29.3178.857.50000113.7E216 K222E216-S220 WeakPolarHBondContact O-CB 3.09Å; E216-S220 PolarHBondContact O-N 3.05Å; E216-S220 PolarHBondContact O-OG 3.18Å; S220-K222 VanDerWaalsContact C-N 3.33Å
221D85.7Confident87.7Confident155 Ų15564.3 Ų64.383%0.82932%0.317SS*.THydrogen-bonded Turntrans-82.4-11.8178.9-61.5-17.2000113.1W219W219-D221 PolarHBondContact O-N 3.44Å; W219-D221 VanDerWaalsContact O-N 3.09Å
222K86.8Confident88.7Confident114 Ų11462.2 Ų62.250%0.49630%0.303SS..THydrogen-bonded Turntrans-110.7-33.6-172.8-53.3-179.2-164.1146.70112.5Y193 E218 W219 S220Y193-K222 HydrophobicContact CE2-CB 4.49Å; Y193-K222 WeakPolarHBondContact OH-CD 3.46Å; E218-K222 WeakPolarHBondContact O-CE 3.49Å; E218-K222 PolarHBondContact O-NZ 3.21Å; E218-K222 VanDerWaalsContact O-NZ 3.11Å; W219-K222 PolarHBondContact O-N 3.42Å; S220-K222 VanDerWaalsContact C-N 3.33Å
223V90.8Very high89.6Confident8 Ų867.4 Ų67.45%0.04833%0.328CS..SBendtrans-141.9152.9-179.3-59.90000109.4Y193 F203 W219Y193-V223 HydrophobicContact CD2-CG1 3.92Å; Y193-V223 HydrophobicContact CE2-CG1 3.72Å; F203-V223 HydrophobicContact CD2-CB 4.06Å; F203-V223 HydrophobicContact CD2-CG1 4.24Å; F203-V223 HydrophobicContact CD2-CG2 3.92Å; F203-V223 HydrophobicContact CE2-CB 4.35Å; F203-V223 HydrophobicContact CE2-CG1 4.02Å; F203-V223 HydrophobicContact CE2-CG2 4.36Å; W219-V223 HydrophobicContact CB-CG2 4.21Å; W219-V223 HydrophobicContact CE3-CG2 4.4Å; W219-V223 PolarHBondContact O-N 3.46Å
224R92.7Very high90.3Very high101 Ų10165.2 Ų65.238%0.38132%0.316SS..EExtended strand (participates in β ladder)trans-78.9129.7168.4-56.5-177.2-178.4-164.70.9108.6E126 E201 V202 F203 F226E126-R224 IonicContact OE2-CZ 3.45Å; E126-R224 IonicContact OE2-NH1 3.19Å; E126-R224 PolarHBondContact OE2-NH1 2.82Å; E201-R224 PolarHBondContact O-N 3.15Å; V202-R224 WeakPolarHBondContact CA-O 3.35Å; V202-R224 HydrophobicContact CB-CB 4.45Å; V202-R224 HydrophobicContact CG1-CB 4.1Å; V202-R224 HydrophobicContact CG2-CB 4.11Å; F203-R224 PolarHBondContact N-O 3.32Å; R224-F226 HydrophobicContact CB-CE2 3.91Å; R224-F226 HydrophobicContact CB-CZ 4.45Å
225L92.8Very high91.1Very high22 Ų2261.7 Ų61.712%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-117.6131.5179.9-176.362.6000109.4F203 I205 F212 F215 E216F203-L225 HydrophobicContact CB-CD1 3.86Å; I205-L225 HydrophobicContact CD1-CD1 4.14Å; I205-L225 HydrophobicContact CG1-CD1 3.71Å; F212-L225 HydrophobicContact CD2-CD2 4.43Å; F212-L225 HydrophobicContact CE1-CD2 4.39Å; F212-L225 HydrophobicContact CE2-CD1 4.15Å; F212-L225 HydrophobicContact CE2-CD2 3.7Å; F212-L225 HydrophobicContact CE2-CG 3.88Å; F212-L225 HydrophobicContact CZ-CD2 3.68Å; F212-L225 HydrophobicContact CZ-CG 3.87Å; F215-L225 HydrophobicContact CD1-CD1 4.16Å; F215-L225 HydrophobicContact CD1-CD2 3.62Å; F215-L225 HydrophobicContact CE1-CD1 3.77Å; F215-L225 HydrophobicContact CE1-CD2 3.99Å; F215-L225 HydrophobicContact CE1-CG 4.49Å; E216-L225 HydrophobicContact CB-CD2 3.78Å; E216-L225 HydrophobicContact CG-CD2 4.16Å
226F95Very high92Very high35 Ų3569.7 Ų69.715%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-134148.5172.9-59.9-74.9000110.2L123 V202 F203 I204 I205 R224 E230 M231 K234L123-F226 HydrophobicContact CD1-CE2 4.09Å; L123-F226 HydrophobicContact CD2-CE2 4.43Å; V202-F226 HydrophobicContact CG1-CD2 3.75Å; V202-F226 HydrophobicContact CG1-CE2 3.89Å; F203-F226 PolarHBondContact O-N 3.3Å; I204-F226 CarbonylContact C-O 3.57Å; I204-F226 VanDerWaalsContact CA-O 3.28Å; I204-F226 WeakPolarHBondContact CA-O 3.37Å; I204-F226 HydrophobicContact CG1-CB 4.48Å; I205-F226 PolarHBondContact N-O 3Å; R224-F226 HydrophobicContact CB-CE2 3.91Å; R224-F226 HydrophobicContact CB-CZ 4.45Å; F226-E230 WeakPolarHBondContact CA-OE2 3.23Å; F226-M231 HydrophobicContact CB-CG 3.91Å; F226-M231 HydrophobicContact CB-SD 3.74Å; F226-M231 HydrophobicContact CD1-SD 4.18Å; F226-M231 HydrophobicContact CD2-SD 3.88Å; F226-M231 HydrophobicContact CG-CG 4.48Å; F226-M231 HydrophobicContact CG-SD 3.65Å; F226-K234 HydrophobicContact CD1-CD 4.48Å; F226-K234 HydrophobicContact CE1-CD 4.18Å
227T96Very high92.8Very high16 Ų1670.8 Ų70.810%0.09834%0.339CS..EExtended strand (participates in β ladder)trans-81158.1159.466.20000110.1P208 F212 E229 E230 M231P208-T227 HydrophobicContact CB-CG2 4.16Å; P208-T227 HydrophobicContact CG-CG2 4.03Å; F212-T227 HydrophobicContact CE1-CG2 4.1Å; F212-T227 HydrophobicContact CE2-CG2 3.81Å; F212-T227 HydrophobicContact CZ-CG2 3.56Å; T227-E229 PolarHBondContact O-N 2.82Å; T227-E230 PolarHBondContact N-OE2 3.11Å; T227-E230 PolarHBondContact O-N 2.89Å; T227-E230 WeakPolarHBondContact OG1-CB 3.25Å; T227-E230 WeakPolarHBondContact OG1-CG 3.21Å; T227-E230 PolarHBondContact OG1-N 3.47Å; T227-E230 VanDerWaalsContact OG1-N 3.13Å; T227-E230 PolarHBondContact OG1-OE2 2.7Å; T227-M231 WeakPolarHBondContact O-CG 3.45Å; T227-M231 PolarHBondContact O-N 3.03Å
228F98Very high93.3Very high2 Ų265.9 Ų65.91%0.00932%0.321CS..Hα-helixtrans-58.9-38.9174.7-168.4-82.2000111.5F116 K142 I145 I205 M231 L232F116-F228 AromaticContact CD2-CD2 3.97Å; F116-F228 HydrophobicContact CD2-CD2 3.97Å; F116-F228 HydrophobicContact CD2-CE1 4.23Å; F116-F228 AromaticContact CD2-CE2 3.54Å; F116-F228 HydrophobicContact CD2-CE2 3.54Å; F116-F228 HydrophobicContact CD2-CG 4.49Å; F116-F228 AromaticContact CD2-CZ 3.67Å; F116-F228 HydrophobicContact CD2-CZ 3.67Å; F116-F228 AromaticContact CE2-CD2 3.62Å; F116-F228 HydrophobicContact CE2-CD2 3.62Å; F116-F228 AromaticContact CE2-CE2 3.46Å; F116-F228 HydrophobicContact CE2-CE2 3.46Å; F116-F228 VanDerWaalsContact CE2-CE2 3.46Å; F116-F228 HydrophobicContact CE2-CG 4.39Å; F116-F228 HydrophobicContact CE2-CZ 4.11Å; F116-F228 HydrophobicContact CG-CE2 4.27Å; F116-F228 HydrophobicContact CG-CZ 4.19Å; F116-F228 HydrophobicContact CZ-CD2 4.48Å; F116-F228 HydrophobicContact CZ-CE2 4.16Å; K142-F228 HydrophobicContact CB-CD2 3.87Å; K142-F228 HydrophobicContact CB-CE1 4.46Å; K142-F228 HydrophobicContact CB-CE2 3.76Å; K142-F228 HydrophobicContact CB-CG 4.27Å; K142-F228 HydrophobicContact CB-CZ 4.08Å; K142-F228 HydrophobicContact CD-CB 4.03Å; K142-F228 HydrophobicContact CD-CD1 4.09Å; K142-F228 HydrophobicContact CD-CD2 4.28Å; K142-F228 HydrophobicContact CD-CG 3.88Å; K142-F228 HydrophobicContact CG-CD1 3.92Å; K142-F228 HydrophobicContact CG-CD2 4.08Å; K142-F228 HydrophobicContact CG-CE1 4.02Å; K142-F228 HydrophobicContact CG-CE2 4.16Å; K142-F228 HydrophobicContact CG-CG 3.96Å; K142-F228 HydrophobicContact CG-CZ 4.14Å; I145-F228 HydrophobicContact CB-CZ 4.06Å; I145-F228 HydrophobicContact CG2-CZ 3.77Å; I205-F228 PolarHBondContact O-N 3.07Å; F228-M231 WeakPolarHBondContact O-CB 3.43Å; F228-M231 PolarHBondContact O-N 3.37Å; F228-L232 HydrophobicContact CD1-CD1 4.14Å; F228-L232 HydrophobicContact CD1-CD2 4.5Å; F228-L232 HydrophobicContact CD1-CG 4.16Å; F228-L232 HydrophobicContact CE1-CD1 4.01Å; F228-L232 HydrophobicContact CE1-CD2 3.94Å; F228-L232 HydrophobicContact CE1-CG 4.05Å; F228-L232 WeakPolarHBondContact O-CG 3.16Å; F228-L232 PolarHBondContact O-N 3.15Å
229E97.5Very high94Very high79 Ų7966.1 Ų66.137%0.36932%0.318SS..Hα-helixtrans-62.4-45.2176.9-74.367.5-156.600112.4K142 T227 M231 L232 E233K142-E229 WeakPolarHBondContact CE-OE1 3.41Å; K142-E229 IonicContact NZ-OE1 2.98Å; K142-E229 PolarHBondContact NZ-OE1 3.46Å; K142-E229 IonicContact NZ-OE2 3.81Å; K142-E229 PolarHBondContact NZ-OE2 3.45Å; T227-E229 PolarHBondContact O-N 2.82Å; E229-M231 VanDerWaalsContact C-N 3.26Å; E229-M231 PolarHBondContact O-N 3.28Å; E229-L232 WeakPolarHBondContact O-CB 3.4Å; E229-L232 PolarHBondContact O-N 3.42Å; E229-E233 PolarHBondContact O-N 3.24Å
230E97.3Very high94.8Very high68 Ų6868.2 Ų68.232%0.31833%0.329SS..Hα-helixtrans-60-36.2174.5-76.2164.9171.200112.3F226 T227 L232 E233 K234F226-E230 WeakPolarHBondContact CA-OE2 3.23Å; T227-E230 PolarHBondContact N-OE2 3.11Å; T227-E230 PolarHBondContact O-N 2.89Å; T227-E230 WeakPolarHBondContact OG1-CB 3.25Å; T227-E230 WeakPolarHBondContact OG1-CG 3.21Å; T227-E230 PolarHBondContact OG1-N 3.47Å; T227-E230 VanDerWaalsContact OG1-N 3.13Å; T227-E230 PolarHBondContact OG1-OE2 2.7Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 2.7Å; E230-E233 PolarHBondContact O-N 2.9Å; E230-K234 WeakPolarHBondContact O-CG 3.34Å; E230-K234 PolarHBondContact O-N 2.8Å
231M98.4Very high95.6Very high1 Ų170.6 Ų70.61%0.00534%0.344CS..Hα-helixtrans-64.1-38.9174.5-66.9-56.8-74.300111.5F116 S119 V120 L123 I204 F226 T227 F228 E229 K234 G235F116-M231 HydrophobicContact CD2-CB 3.98Å; F116-M231 HydrophobicContact CE2-CB 4.05Å; F116-M231 HydrophobicContact CE2-CG 4.36Å; S119-M231 WeakPolarHBondContact CB-O 3.21Å; S119-M231 VanDerWaalsContact OG-CE 3.26Å; S119-M231 WeakPolarHBondContact OG-CE 3.38Å; S119-M231 PolarHBondContact OG-O 3.39Å; S119-M231 VanDerWaalsContact OG-O 3.12Å; V120-M231 HydrophobicContact CG2-CE 3.7Å; L123-M231 HydrophobicContact CD2-CE 4.1Å; I204-M231 HydrophobicContact CD1-CE 3.87Å; I204-M231 HydrophobicContact CD1-CG 4.16Å; I204-M231 HydrophobicContact CD1-SD 4.36Å; I204-M231 HydrophobicContact CG1-CG 4.24Å; I204-M231 HydrophobicContact CG2-CG 3.83Å; F226-M231 HydrophobicContact CB-CG 3.91Å; F226-M231 HydrophobicContact CB-SD 3.74Å; F226-M231 HydrophobicContact CD1-SD 4.18Å; F226-M231 HydrophobicContact CD2-SD 3.88Å; F226-M231 HydrophobicContact CG-CG 4.48Å; F226-M231 HydrophobicContact CG-SD 3.65Å; T227-M231 WeakPolarHBondContact O-CG 3.45Å; T227-M231 PolarHBondContact O-N 3.03Å; F228-M231 WeakPolarHBondContact O-CB 3.43Å; F228-M231 PolarHBondContact O-N 3.37Å; E229-M231 VanDerWaalsContact C-N 3.26Å; E229-M231 PolarHBondContact O-N 3.28Å; M231-K234 PolarHBondContact O-N 2.93Å; M231-G235 PolarHBondContact O-N 2.99Å
232L98.6Very high96.1Very high16 Ų1666 Ų668%0.08432%0.321CS..Hα-helixtrans-64.3-41.8174.4-59-178.9000112K112 L115 F116 F228 E229 E230 G235 Y236K112-L232 HydrophobicContact CB-CD2 4.19Å; K112-L232 HydrophobicContact CD-CD1 4.26Å; K112-L232 HydrophobicContact CG-CD1 3.99Å; K112-L232 HydrophobicContact CG-CD2 4.34Å; L115-L232 HydrophobicContact CB-CB 4.39Å; L115-L232 HydrophobicContact CB-CD2 3.94Å; L115-L232 HydrophobicContact CD1-CB 4.42Å; F116-L232 HydrophobicContact CB-CD2 3.9Å; F228-L232 HydrophobicContact CD1-CD1 4.14Å; F228-L232 HydrophobicContact CD1-CD2 4.5Å; F228-L232 HydrophobicContact CD1-CG 4.16Å; F228-L232 HydrophobicContact CE1-CD1 4.01Å; F228-L232 HydrophobicContact CE1-CD2 3.94Å; F228-L232 HydrophobicContact CE1-CG 4.05Å; F228-L232 WeakPolarHBondContact O-CG 3.16Å; F228-L232 PolarHBondContact O-N 3.15Å; E229-L232 WeakPolarHBondContact O-CB 3.4Å; E229-L232 PolarHBondContact O-N 3.42Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 2.7Å; L232-G235 PolarHBondContact O-N 3.17Å; L232-Y236 PolarHBondContact O-N 3.06Å
233E98.4Very high96.4Very high130 Ų13067 Ų6761%0.60733%0.325SS*.Hα-helixtrans-64.4-42177.9-68.1175.8-176.800112.3E229 E230 G235 Y236 S237E229-E233 PolarHBondContact O-N 3.24Å; E230-E233 PolarHBondContact O-N 2.9Å; E233-G235 VanDerWaalsContact C-N 3.34Å; E233-Y236 WeakPolarHBondContact O-CB 3.2Å; E233-Y236 PolarHBondContact O-N 3Å; E233-S237 PolarHBondContact O-N 3.12Å; E233-S237 PolarHBondContact O-OG 3.16Å
234K98.2Very high96.2Very high107 Ų10770.9 Ų70.947%0.46535%0.349SS..Hα-helixtrans-60.8-44172.5-78.9-175.7162.5-65.30111.9F226 E230 M231 Y236 S237 N238F226-K234 HydrophobicContact CD1-CD 4.48Å; F226-K234 HydrophobicContact CE1-CD 4.18Å; E230-K234 WeakPolarHBondContact O-CG 3.34Å; E230-K234 PolarHBondContact O-N 2.8Å; M231-K234 PolarHBondContact O-N 2.93Å; K234-Y236 VanDerWaalsContact C-N 3.28Å; K234-Y236 PolarHBondContact O-N 2.92Å; K234-S237 PolarHBondContact O-N 3.2Å; K234-N238 PolarHBondContact O-N 3.3Å
235G98Very high96.1Very high0 Ų066.3 Ų66.30%033%0.332CS..Hα-helixtrans-63.6-34.3176.300000113.3L115 M231 L232 E233 N238 R239L115-G235 VanDerWaalsContact O-CA 3.26Å; L115-G235 WeakPolarHBondContact O-CA 3.44Å; M231-G235 PolarHBondContact O-N 2.99Å; L232-G235 PolarHBondContact O-N 3.17Å; E233-G235 VanDerWaalsContact C-N 3.34Å; G235-N238 CarbonylContact O-C 3.23Å; G235-N238 VanDerWaalsContact O-C 3.23Å; G235-N238 PolarHBondContact O-N 3.4Å; G235-R239 WeakPolarHBondContact O-CA 3.34Å; G235-R239 PolarHBondContact O-N 3.44Å
236Y97.3Very high96Very high175 Ų17570.9 Ų70.969%0.68636%0.356SS*.Hα-helixtrans-67.6-40.1175.6-175.8-93.8000111.4L115 L232 E233 K234 N238L115-Y236 HydrophobicContact CD2-CD2 4.29Å; L232-Y236 PolarHBondContact O-N 3.06Å; E233-Y236 WeakPolarHBondContact O-CB 3.2Å; E233-Y236 PolarHBondContact O-N 3Å; K234-Y236 VanDerWaalsContact C-N 3.28Å; K234-Y236 PolarHBondContact O-N 2.92Å; Y236-N238 VanDerWaalsContact C-N 3.34Å
237S97.3Very high95.6Very high104 Ų10472.5 Ų72.573%0.72737%0.367SS*.Hα-helixtrans-71.4-27.1178.5-55.10000113.2E233 K234E233-S237 PolarHBondContact O-N 3.12Å; E233-S237 PolarHBondContact O-OG 3.16Å; K234-S237 PolarHBondContact O-N 3.2Å
238N96.8Very high95.3Very high78 Ų7877.7 Ų77.742%0.41739%0.394SS..SBendtrans-140.379178.8-174.837.7000111.4S118 T122 K234 G235 Y236S118-N238 WeakPolarHBondContact CB-O 3.41Å; T122-N238 PolarHBondContact OG1-ND2 2.89Å; T122-N238 VanDerWaalsContact OG1-ND2 3.09Å; K234-N238 PolarHBondContact O-N 3.3Å; G235-N238 CarbonylContact O-C 3.23Å; G235-N238 VanDerWaalsContact O-C 3.23Å; G235-N238 PolarHBondContact O-N 3.4Å; Y236-N238 VanDerWaalsContact C-N 3.34Å
239R97.3Very high95.2Very high110 Ų11080.7 Ų80.742%0.41541%0.41SS..  trans-76.6129.7-179.8-163.9-176.6-167.1112.7-7.7110.9E111 G235E111-R239 VanDerWaalsContact CD-NH1 3.32Å; E111-R239 IonicContact OE1-CZ 3.84Å; E111-R239 IonicContact OE1-NH1 2.68Å; E111-R239 PolarHBondContact OE1-NH1 2.7Å; E111-R239 IonicContact OE1-NH2 2.72Å; E111-R239 IonicContact OE2-CZ 2.8Å; E111-R239 IonicContact OE2-NH1 3.74Å; E111-R239 PolarHBondContact OE2-NH1 3Å; E111-R239 VanDerWaalsContact OE2-NH1 3.14Å; E111-R239 IonicContact OE2-NH2 3.14Å; E111-R239 PolarHBondContact OE2-NH2 3Å; G235-R239 WeakPolarHBondContact O-CA 3.34Å; G235-R239 PolarHBondContact O-N 3.44Å
240L97.4Very high95.2Very high49 Ų4978.6 Ų78.626%0.25740%0.401SS..  trans-112.8148.6178-63.9176.5000110.9S118 T121 Y153S118-L240 PolarHBondContact OG-N 2.87Å; S118-L240 PolarHBondContact OG-O 2.95Å; T121-L240 HydrophobicContact CG2-CD1 3.66Å; Y153-L240 HydrophobicContact CE1-CB 4.32Å; Y153-L240 PolarHBondContact OH-O 2.83Å
241P96.8Very high95.2Very high113 Ų11375.4 Ų75.473%0.73439%0.386SS*.  trans-65.9148.9175.529-34.9000111.2Y153Y153-P241 WeakPolarHBondContact CE1-O 3.27Å
242V95.7Very high95.1Very high59 Ų5975.3 Ų75.336%0.35839%0.386SS..  trans-63.2150.2172.1-62.70000110.9F75 A152 Y153F75-V242 HydrophobicContact CE1-CG1 3.93Å; F75-V242 HydrophobicContact CZ-CG1 4.33Å; A152-V242 HydrophobicContact CB-CG1 4.28Å; A152-V242 WeakPolarHBondContact O-CB 3.1Å; Y153-V242 HydrophobicContact CE2-CG1 4.1Å
243K93.3Very high95.1Very high135 Ų13574.6 Ų74.659%0.58738%0.382SS*.  trans-114.6113.1179.1-172.3-178.3174.6-173.90109.4A152 S154 P245A152-K243 PolarHBondContact O-N 2.81Å; A152-K243 VanDerWaalsContact O-O 3.14Å; S154-K243 WeakPolarHBondContact OG-CG 3.34Å; S154-K243 PolarHBondContact OG-O 2.84Å; K243-P245 WeakPolarHBondContact O-CD 3.4Å
244V88Confident95Very high89 Ų8968.5 Ų68.554%0.53935%0.354SS..PPolyproline II helixtrans-71.2121.8178.6-177.70000108.6K72K72-V244 HydrophobicContact CB-CG1 4.27Å; K72-V244 HydrophobicContact CD-CG1 3.88Å
245P90Very high94.7Very high4 Ų464.2 Ų64.23%0.02634%0.335CS..PPolyproline II helixtrans-75.2157.3175.831.8-34.2000111.5K243 D249K243-P245 WeakPolarHBondContact O-CD 3.4Å; P245-D249 HydrophobicContact CB-CB 4.17Å
246D90.6Very high94Very high118 Ų11865.3 Ų65.363%0.63134%0.342SS*.PPolyproline II helixtrans-82.4160.7168.4-73.3-35.8000111.5N248 D249D246-N248 PolarHBondContact O-N 2.96Å; D246-N248 VanDerWaalsContact O-N 3.12Å; D246-D249 PolarHBondContact N-OD2 2.86Å; D246-D249 WeakPolarHBondContact O-CB 3.25Å; D246-D249 PolarHBondContact O-N 3.01Å
247D87.5Confident92.7Very high70 Ų7060.5 Ų60.537%0.37433%0.333SS..THydrogen-bonded Turntrans-51-38.5-179.5-93.422.2000113.8K271D247-K271 HydrophobicContact CB-CB 4.25Å; D247-K271 HydrophobicContact CB-CD 4.13Å; D247-K271 WeakPolarHBondContact O-CB 3.24Å; D247-K271 PolarHBondContact O-N 2.92Å; D247-K271 WeakPolarHBondContact OD2-CD 3.48Å; D247-K271 WeakPolarHBondContact OD2-CE 3.18Å; D247-K271 IonicContact OD2-NZ 2.75Å; D247-K271 PolarHBondContact OD2-NZ 3.05Å
248N88.7Confident90.6Very high125 Ų12556.4 Ų56.467%0.66831%0.307SS*.THydrogen-bonded Turntrans-93.5-5.5-174.8-64.5-32.9000113.1D246D246-N248 PolarHBondContact O-N 2.96Å; D246-N248 VanDerWaalsContact O-N 3.12Å
249D95.2Very high88.4Confident65 Ų6555.7 Ų55.735%0.34831%0.309SS..SBendtrans-65.7138.1176.3-74-19.7000109.9P245 D246 F251 T269 N270P245-D249 HydrophobicContact CB-CB 4.17Å; D246-D249 PolarHBondContact N-OD2 2.86Å; D246-D249 WeakPolarHBondContact O-CB 3.25Å; D246-D249 PolarHBondContact O-N 3.01Å; D249-F251 PolarHBondContact O-N 2.96Å; D249-T269 CarbonylContact O-C 3.59Å; D249-T269 VanDerWaalsContact O-CA 3.29Å; D249-T269 WeakPolarHBondContact O-CA 3.4Å; D249-N270 PolarHBondContact O-N 2.68Å; D249-N270 PolarHBondContact O-ND2 2.77Å
250L97.4Very high86.1Confident34 Ų3456.2 Ų56.218%0.17832%0.319CS..EExtended strand (participates in β ladder)trans-63.6130.8172.5-61.8-176.6000109.5V156 I253 M267 T269 L499V156-L250 HydrophobicContact CG1-CB 3.94Å; V156-L250 HydrophobicContact CG2-CB 3.78Å; L250-I253 HydrophobicContact CD1-CD1 4.33Å; L250-I253 HydrophobicContact CD1-CG1 4.38Å; L250-M267 HydrophobicContact CD1-CG 4.43Å; L250-M267 HydrophobicContact CD1-SD 4.32Å; L250-M267 HydrophobicContact CD2-CB 3.81Å; L250-M267 HydrophobicContact CD2-CG 4.36Å; L250-T269 HydrophobicContact CD2-CG2 4.31Å; L250-L499 HydrophobicContact CD2-CD2 4.11Å
251F97.5Very high84.4Confident1 Ų156.5 Ų56.50%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-92.1-43.1166.7170.1-126.2000110.4P74 Q147 I157 D249 I268 Y273P74-F251 HydrophobicContact CB-CE1 4.48Å; P74-F251 HydrophobicContact CB-CE2 4.44Å; P74-F251 HydrophobicContact CB-CZ 4.15Å; P74-F251 HydrophobicContact CG-CD1 3.93Å; P74-F251 HydrophobicContact CG-CD2 4.09Å; P74-F251 HydrophobicContact CG-CE1 3.75Å; P74-F251 HydrophobicContact CG-CE2 3.95Å; P74-F251 HydrophobicContact CG-CG 4.09Å; P74-F251 HydrophobicContact CG-CZ 3.76Å; Q147-F251 HydrophobicContact CG-CE2 4.22Å; Q147-F251 HydrophobicContact CG-CZ 3.66Å; I157-F251 PolarHBondContact N-O 3.43Å; D249-F251 PolarHBondContact O-N 2.96Å; F251-I268 PolarHBondContact N-O 3.31Å; F251-Y273 HydrophobicContact CD1-CD1 4.41Å; F251-Y273 AromaticContact CD1-CD2 3.64Å; F251-Y273 HydrophobicContact CD1-CD2 3.64Å; F251-Y273 HydrophobicContact CD1-CE2 4.02Å; F251-Y273 AromaticContact CD1-CG 3.84Å; F251-Y273 HydrophobicContact CD1-CG 3.84Å; F251-Y273 HydrophobicContact CE1-CD1 4.32Å; F251-Y273 AromaticContact CE1-CD2 3.72Å; F251-Y273 HydrophobicContact CE1-CD2 3.72Å; F251-Y273 HydrophobicContact CE1-CE1 4.19Å; F251-Y273 AromaticContact CE1-CE2 3.59Å; F251-Y273 HydrophobicContact CE1-CE2 3.59Å; F251-Y273 HydrophobicContact CE1-CG 4.07Å; F251-Y273 AromaticContact CE1-CZ 3.82Å
252M97.7Very high83.6Confident0 Ų055.4 Ų55.40%032%0.321CS..EExtended strand (participates in β ladder)trans-152.6155.5-17766.5-173-31.200112.9I157 P159 L254 I268 Y273 Q308I157-M252 HydrophobicContact CB-CB 4.31Å; I157-M252 CarbonylContact O-C 3.52Å; I157-M252 WeakPolarHBondContact O-CA 3.46Å; I157-M252 WeakPolarHBondContact O-CB 3.29Å; P159-M252 HydrophobicContact CG-CE 4.12Å; M252-L254 HydrophobicContact CE-CD1 4.31Å; M252-L254 HydrophobicContact CE-CD2 3.42Å; M252-L254 VanDerWaalsContact CE-CD2 3.42Å; M252-L254 HydrophobicContact CE-CG 3.9Å; M252-L254 HydrophobicContact CG-CG 4.2Å; M252-L254 HydrophobicContact SD-CD1 4.03Å; M252-L254 HydrophobicContact SD-CD2 4.17Å; M252-L254 HydrophobicContact SD-CG 3.99Å; M252-I268 HydrophobicContact CG-CB 3.7Å; M252-I268 HydrophobicContact CG-CG1 4.06Å; M252-I268 HydrophobicContact CG-CG2 4.13Å; M252-I268 PolarHBondContact N-O 3Å; M252-I268 WeakPolarHBondContact O-CB 3.46Å; M252-I268 PolarHBondContact O-N 3.45Å; M252-Y273 HydrophobicContact SD-CD2 3.95Å; M252-Y273 HydrophobicContact SD-CE2 3.81Å; M252-Q308 HydrophobicContact CE-CG 4.04Å
253I98Very high83.2Confident0 Ų053 Ų530%031%0.307CS..EExtended strand (participates in β ladder)trans-115.9110.8168.9-57.9173.5000107.8F132 V156 I157 V158 P159 L250 Y255 G265 V266 Y502F132-I253 HydrophobicContact CE2-CD1 3.79Å; F132-I253 HydrophobicContact CZ-CD1 3.79Å; V156-I253 HydrophobicContact CG1-CD1 4.16Å; V156-I253 HydrophobicContact CG1-CG1 3.88Å; I157-I253 PolarHBondContact O-N 3.36Å; V158-I253 HydrophobicContact CG2-CB 4.49Å; P159-I253 WeakPolarHBondContact CD-O 3.38Å; L250-I253 HydrophobicContact CD1-CD1 4.33Å; L250-I253 HydrophobicContact CD1-CG1 4.38Å; I253-Y255 HydrophobicContact CB-CE2 4.44Å; I253-Y255 HydrophobicContact CG2-CD2 4.06Å; I253-Y255 HydrophobicContact CG2-CE2 3.59Å; I253-G265 VanDerWaalsContact CG2-CA 3.43Å; I253-V266 WeakPolarHBondContact CA-O 3.03Å; I253-Y502 HydrophobicContact CD1-CD1 4.31Å; I253-Y502 HydrophobicContact CD1-CD2 3.63Å; I253-Y502 HydrophobicContact CD1-CE2 3.98Å; I253-Y502 HydrophobicContact CD1-CG 3.82Å
254L95.9Very high83.1Confident2 Ų249 Ų491%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-95.6109.8-179.7-71.4180000110.3P159 M252 T256 V266 I268 S303 A305 T442 L445P159-L254 HydrophobicContact CG-CD2 4.02Å; M252-L254 HydrophobicContact CE-CD1 4.31Å; M252-L254 HydrophobicContact CE-CD2 3.42Å; M252-L254 VanDerWaalsContact CE-CD2 3.42Å; M252-L254 HydrophobicContact CE-CG 3.9Å; M252-L254 HydrophobicContact CG-CG 4.2Å; M252-L254 HydrophobicContact SD-CD1 4.03Å; M252-L254 HydrophobicContact SD-CD2 4.17Å; M252-L254 HydrophobicContact SD-CG 3.99Å; L254-T256 PolarHBondContact O-N 3.43Å; L254-V266 HydrophobicContact CB-CB 4.44Å; L254-V266 PolarHBondContact N-O 3.24Å; L254-V266 VanDerWaalsContact O-CB 3.31Å; L254-V266 WeakPolarHBondContact O-CB 3.5Å; L254-V266 WeakPolarHBondContact O-CG2 2.97Å; L254-V266 PolarHBondContact O-N 3.5Å; L254-I268 HydrophobicContact CD1-CG1 4.39Å; L254-S303 WeakPolarHBondContact CD2-O 3.21Å; L254-A305 HydrophobicContact CD1-CB 4.16Å; L254-T442 HydrophobicContact CB-CG2 3.62Å; L254-T442 HydrophobicContact CD1-CG2 3.83Å; L254-T442 HydrophobicContact CG-CG2 4.4Å; L254-L445 HydrophobicContact CD1-CD1 4.22Å
255Y92.3Very high83.5Confident17 Ų1744.8 Ų44.87%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-77.6122.9178.5-82.1-89.5000112V158 V172 E175 T176 I253 P263 K264 G265V158-Y255 HydrophobicContact CG1-CD2 4.17Å; V158-Y255 HydrophobicContact CG1-CE2 3.93Å; V172-Y255 HydrophobicContact CB-CD2 4.46Å; V172-Y255 HydrophobicContact CB-CE1 4.48Å; V172-Y255 HydrophobicContact CB-CE2 4.35Å; V172-Y255 HydrophobicContact CG1-CD2 3.72Å; V172-Y255 HydrophobicContact CG1-CE2 3.57Å; V172-Y255 HydrophobicContact CG1-CG 4.29Å; V172-Y255 HydrophobicContact CG2-CD1 3.56Å; V172-Y255 HydrophobicContact CG2-CD2 3.93Å; V172-Y255 HydrophobicContact CG2-CE1 3.78Å; V172-Y255 HydrophobicContact CG2-CE2 4.17Å; V172-Y255 HydrophobicContact CG2-CG 3.61Å; E175-Y255 VanDerWaalsContact OE2-CE1 3.27Å; E175-Y255 WeakPolarHBondContact OE2-CE1 3.39Å; E175-Y255 PolarHBondContact OE2-OH 2.82Å; T176-Y255 HydrophobicContact CG2-CE2 3.85Å; T176-Y255 WeakPolarHBondContact CG2-OH 3.19Å; I253-Y255 HydrophobicContact CB-CE2 4.44Å; I253-Y255 HydrophobicContact CG2-CD2 4.06Å; I253-Y255 HydrophobicContact CG2-CE2 3.59Å; Y255-P263 HydrophobicContact CD1-CB 3.83Å; Y255-P263 HydrophobicContact CG-CB 4.46Å; Y255-K264 WeakPolarHBondContact CA-O 3.31Å; Y255-K264 VanDerWaalsContact CD1-C 3.44Å; Y255-G265 VanDerWaalsContact CD1-N 3.31Å; Y255-G265 VanDerWaalsContact CE1-CA 3.47Å
256T83.7Confident83.8Confident24 Ų2444.6 Ų44.615%0.14726%0.263CS..EExtended strand (participates in β ladder)trans-105.6143.3173.967.30000110.5L254 G258 P263 K264 V266 T442L254-T256 PolarHBondContact O-N 3.43Å; T256-G258 PolarHBondContact O-N 3.07Å; T256-G258 VanDerWaalsContact O-N 3.09Å; T256-P263 CarbonylContact O-C 3.48Å; T256-P263 WeakPolarHBondContact O-CA 3.17Å; T256-P263 WeakPolarHBondContact O-CB 3.44Å; T256-K264 PolarHBondContact N-O 2.68Å; T256-K264 PolarHBondContact O-N 2.67Å; T256-V266 HydrophobicContact CG2-CG2 3.87Å; T256-T442 HydrophobicContact CG2-CG2 3.69Å; T256-T442 WeakPolarHBondContact CG2-OG1 3.32Å
257S69.4Low84.2Confident73 Ų7340.4 Ų40.451%0.5124%0.24SC..  trans-63.6113.2174.355.60000109.6
258G53.8Low84.7Confident18 Ų1837.1 Ų37.119%0.18622%0.222CC..  trans-61.8138.3169.500000109.9T256 L260T256-G258 PolarHBondContact O-N 3.07Å; T256-G258 VanDerWaalsContact O-N 3.09Å; G258-L260 PolarHBondContact O-N 3.47Å
259S50.7Low85.1Confident64 Ų6431.8 Ų31.845%0.44819%0.194SC..SBendtrans-64.1-21.6-177.860.70000113.2I685S259-I685 VanDerWaalsContact CB-CD1 3.46Å; S259-I685 WeakPolarHBondContact O-CB 2.97Å; S259-I685 WeakPolarHBondContact O-CD1 3.33Å; S259-I685 WeakPolarHBondContact O-CG2 3.49Å
260L48Very low85.1Confident121 Ų12128.9 Ų28.963%0.63418%0.179SC*.SBendtrans-136.45.8-175.7-78165.6000114.7G258 I685G258-L260 PolarHBondContact O-N 3.47Å; L260-I685 HydrophobicContact CD2-CG2 3.54Å; L260-I685 HydrophobicContact CG-CD1 4.28Å; L260-I685 HydrophobicContact CG-CG2 4.27Å
261G61.9Low84.9Confident54 Ų5431.3 Ų31.356%0.55719%0.188SC*.SBendtrans-163.8-167-170.400000114.4
262L80Confident84.8Confident91 Ų9131.4 Ų31.448%0.47619%0.189SC..SBendtrans-56.5149.4178.3-61.9171.5000111.1H171H171-L262 HydrophobicContact CB-CB 4.32Å; H171-L262 HydrophobicContact CB-CD1 4.03Å; H171-L262 HydrophobicContact CB-CD2 3.94Å; H171-L262 HydrophobicContact CB-CG 4.31Å; H171-L262 WeakPolarHBondContact ND1-CD1 3.34Å
263P86.9Confident84.8Confident8 Ų831.4 Ų31.45%0.05219%0.189CC..PPolyproline II helixtrans-56.3142.6178.9-23.832.6000112.1F164 A168 H171 Y255 T256F164-P263 HydrophobicContact CE1-CG 4.41Å; F164-P263 HydrophobicContact CE2-CB 4.31Å; F164-P263 HydrophobicContact CE2-CG 4.16Å; F164-P263 HydrophobicContact CZ-CB 4.11Å; F164-P263 HydrophobicContact CZ-CG 4.1Å; A168-P263 HydrophobicContact CB-CG 3.57Å; H171-P263 PolarHBondContact CD2-O 2.82Å; H171-P263 VanDerWaalsContact CD2-O 3.31Å; H171-P263 PolarHBondContact NE2-O 3.38Å; Y255-P263 HydrophobicContact CD1-CB 3.83Å; Y255-P263 HydrophobicContact CG-CB 4.46Å; T256-P263 CarbonylContact O-C 3.48Å; T256-P263 WeakPolarHBondContact O-CA 3.17Å; T256-P263 WeakPolarHBondContact O-CB 3.44Å
264K91.9Very high84.6Confident50 Ų5031.8 Ų31.822%0.21719%0.191CC..EExtended strand (participates in β ladder)trans-102.6131.9178-58.6174.2-71.8166.50110Y255 T256 V266 Y501 K507Y255-K264 WeakPolarHBondContact CA-O 3.31Å; Y255-K264 VanDerWaalsContact CD1-C 3.44Å; T256-K264 PolarHBondContact N-O 2.68Å; T256-K264 PolarHBondContact O-N 2.67Å; K264-V266 PolarHBondContact O-N 3.14Å; K264-Y501 HydrophobicContact CB-CD1 3.5Å; K264-Y501 VanDerWaalsContact CB-CD1 3.5Å; K264-Y501 HydrophobicContact CB-CE1 3.76Å; K264-Y501 HydrophobicContact CB-CG 4.14Å; K264-Y501 HydrophobicContact CD-CD1 4.22Å; K264-Y501 HydrophobicContact CD-CD2 4.39Å; K264-Y501 HydrophobicContact CD-CE1 4.03Å; K264-Y501 HydrophobicContact CD-CE2 4.23Å; K264-Y501 HydrophobicContact CD-CG 4.39Å; K264-Y501 HydrophobicContact CG-CD1 4.45Å; K264-Y501 PolarHBondContact NZ-OH 2.83Å; K264-K507 HydrophobicContact CD-CB 4.3Å; K264-K507 HydrophobicContact CD-CG 4.34Å
265G96.1Very high84.5Confident1 Ų132.9 Ų32.91%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-80.6105.6179.300000112.2I253 Y255 M267 Y501 Y502I253-G265 VanDerWaalsContact CG2-CA 3.43Å; Y255-G265 VanDerWaalsContact CD1-N 3.31Å; Y255-G265 VanDerWaalsContact CE1-CA 3.47Å; G265-M267 PolarHBondContact O-N 2.72Å; G265-Y501 CarbonylContact O-C 3.2Å; G265-Y501 VanDerWaalsContact O-CA 3.29Å; G265-Y501 WeakPolarHBondContact O-CA 3.27Å; G265-Y502 PolarHBondContact O-N 2.94Å
266V97.4Very high84.7Confident0 Ų032 Ų320%019%0.193CC..EExtended strand (participates in β ladder)trans-75.4115175.7-178.20000109.4I253 L254 T256 K264 I268 T442 E443 M498 Y501I253-V266 WeakPolarHBondContact CA-O 3.03Å; L254-V266 HydrophobicContact CB-CB 4.44Å; L254-V266 PolarHBondContact N-O 3.24Å; L254-V266 VanDerWaalsContact O-CB 3.31Å; L254-V266 WeakPolarHBondContact O-CB 3.5Å; L254-V266 WeakPolarHBondContact O-CG2 2.97Å; L254-V266 PolarHBondContact O-N 3.5Å; T256-V266 HydrophobicContact CG2-CG2 3.87Å; K264-V266 PolarHBondContact O-N 3.14Å; V266-I268 HydrophobicContact CG1-CD1 3.71Å; V266-I268 HydrophobicContact CG1-CG1 4.45Å; V266-I268 PolarHBondContact O-N 2.63Å; V266-T442 HydrophobicContact CB-CG2 3.95Å; V266-T442 HydrophobicContact CG1-CG2 4.15Å; V266-T442 HydrophobicContact CG2-CG2 3.88Å; V266-E443 HydrophobicContact CG2-CG 4.23Å; V266-M498 HydrophobicContact CG1-CB 3.46Å; V266-M498 VanDerWaalsContact CG1-CB 3.46Å; V266-M498 HydrophobicContact CG1-CG 4.25Å; V266-M498 HydrophobicContact CG1-SD 3.9Å; V266-Y501 HydrophobicContact CG2-CD1 4.06Å; V266-Y501 HydrophobicContact CG2-CE1 3.75Å
267M98.1Very high85.2Confident31 Ų3130.9 Ų30.915%0.15319%0.186CC..EExtended strand (participates in β ladder)trans-78.6117-179.3-67.1-171.5-67.100111.4L250 G265 L499 G500 Y502L250-M267 HydrophobicContact CD1-CG 4.43Å; L250-M267 HydrophobicContact CD1-SD 4.32Å; L250-M267 HydrophobicContact CD2-CB 3.81Å; L250-M267 HydrophobicContact CD2-CG 4.36Å; G265-M267 PolarHBondContact O-N 2.72Å; M267-L499 HydrophobicContact CB-CB 4.04Å; M267-L499 HydrophobicContact CE-CB 4.44Å; M267-L499 HydrophobicContact CE-CD2 4.32Å; M267-L499 HydrophobicContact CE-CG 4.26Å; M267-L499 PolarHBondContact O-N 2.82Å; M267-G500 WeakPolarHBondContact CB-O 3.4Å; M267-G500 PolarHBondContact N-O 3.01Å; M267-Y502 HydrophobicContact CG-CD2 4.19Å; M267-Y502 HydrophobicContact SD-CD2 3.86Å
268I97.7Very high86.3Confident0 Ų029.1 Ų29.10%017%0.169CC..EExtended strand (participates in β ladder)trans-113.5119.6179.7-54.5-56.1000109.7F251 M252 L254 V266 A272 Y273 L445 M498F251-I268 PolarHBondContact N-O 3.31Å; M252-I268 HydrophobicContact CG-CB 3.7Å; M252-I268 HydrophobicContact CG-CG1 4.06Å; M252-I268 HydrophobicContact CG-CG2 4.13Å; M252-I268 PolarHBondContact N-O 3Å; M252-I268 WeakPolarHBondContact O-CB 3.46Å; M252-I268 PolarHBondContact O-N 3.45Å; L254-I268 HydrophobicContact CD1-CG1 4.39Å; V266-I268 HydrophobicContact CG1-CD1 3.71Å; V266-I268 HydrophobicContact CG1-CG1 4.45Å; V266-I268 PolarHBondContact O-N 2.63Å; I268-A272 HydrophobicContact CG2-CB 4.46Å; I268-Y273 HydrophobicContact CG2-CD2 4.28Å; I268-L445 HydrophobicContact CD1-CD1 3.76Å; I268-L445 HydrophobicContact CG1-CD1 3.97Å; I268-L445 HydrophobicContact CG2-CD1 4.15Å; I268-L445 HydrophobicContact CG2-CD2 3.73Å; I268-M498 HydrophobicContact CD1-CB 4.32Å
269T96.9Very high88.2Confident13 Ų1328.6 Ų28.68%0.0816%0.162CC..EExtended strand (participates in β ladder)trans-80.7159.1174.364.20000111.5D249 L250 K271 A272 Y273 L499D249-T269 CarbonylContact O-C 3.59Å; D249-T269 VanDerWaalsContact O-CA 3.29Å; D249-T269 WeakPolarHBondContact O-CA 3.4Å; L250-T269 HydrophobicContact CD2-CG2 4.31Å; T269-K271 VanDerWaalsContact C-N 3.25Å; T269-K271 PolarHBondContact O-N 3.45Å; T269-A272 PolarHBondContact O-N 3Å; T269-A272 WeakPolarHBondContact OG1-CB 3.33Å; T269-A272 PolarHBondContact OG1-N 3.14Å; T269-A272 VanDerWaalsContact OG1-N 3.1Å; T269-Y273 PolarHBondContact O-N 3.12Å; T269-L499 HydrophobicContact CG2-CB 4.25Å; T269-L499 HydrophobicContact CG2-CD2 4.22Å
270N95.3Very high90.3Very high4 Ų426.2 Ų26.22%0.02115%0.145CC..Hα-helixtrans-53.4-45.7171.7-78.4-83.9000111.1P74 D249 A272 Y273 L274P74-N270 WeakPolarHBondContact CD-OD1 3.24Å; D249-N270 PolarHBondContact O-N 2.68Å; D249-N270 PolarHBondContact O-ND2 2.77Å; N270-A272 PolarHBondContact O-N 3.47Å; N270-Y273 PolarHBondContact O-N 3.34Å; N270-L274 WeakPolarHBondContact O-CB 3.2Å; N270-L274 VanDerWaalsContact O-CG 3.24Å; N270-L274 WeakPolarHBondContact O-CG 3.14Å; N270-L274 PolarHBondContact O-N 3.37Å
271K94.4Very high92.3Very high86 Ų8620.8 Ų20.837%0.37412%0.116SC..Hα-helixtrans-60.5-45.1177.5-176178.8-160142.50113.2D247 T269 Y273 L274 N275D247-K271 HydrophobicContact CB-CB 4.25Å; D247-K271 HydrophobicContact CB-CD 4.13Å; D247-K271 WeakPolarHBondContact O-CB 3.24Å; D247-K271 PolarHBondContact O-N 2.92Å; D247-K271 WeakPolarHBondContact OD2-CD 3.48Å; D247-K271 WeakPolarHBondContact OD2-CE 3.18Å; D247-K271 IonicContact OD2-NZ 2.75Å; D247-K271 PolarHBondContact OD2-NZ 3.05Å; T269-K271 VanDerWaalsContact C-N 3.25Å; T269-K271 PolarHBondContact O-N 3.45Å; K271-Y273 VanDerWaalsContact C-N 3.34Å; K271-L274 PolarHBondContact O-N 3.44Å; K271-N275 PolarHBondContact O-N 2.87Å; K271-N275 PolarHBondContact O-ND2 3.02Å
272A95.9Very high93.7Very high2 Ų218.2 Ų18.22%0.0179%0.09CC..Hα-helixtrans-62.3-44.1178.800000111.2I268 T269 N270 N275 A276 K495I268-A272 HydrophobicContact CG2-CB 4.46Å; T269-A272 PolarHBondContact O-N 3Å; T269-A272 WeakPolarHBondContact OG1-CB 3.33Å; T269-A272 PolarHBondContact OG1-N 3.14Å; T269-A272 VanDerWaalsContact OG1-N 3.1Å; N270-A272 PolarHBondContact O-N 3.47Å; A272-N275 PolarHBondContact O-N 2.96Å; A272-A276 PolarHBondContact O-N 3.07Å; A272-A276 VanDerWaalsContact O-N 3.07Å; A272-K495 WeakPolarHBondContact CA-O 3.31Å
273Y96.3Very high94.1Very high0 Ų014.2 Ų14.20%07%0.069CC..Hα-helixtrans-60.4-48.5176.6-164.1-83.7000112.5P74 F251 M252 I268 T269 N270 K271 N275 A276 V277 Q308 I312 L445P74-Y273 HydrophobicContact CB-CD1 4.41Å; P74-Y273 HydrophobicContact CB-CE1 4.19Å; P74-Y273 HydrophobicContact CG-CD1 3.66Å; P74-Y273 HydrophobicContact CG-CE1 3.88Å; P74-Y273 HydrophobicContact CG-CG 4.34Å; F251-Y273 HydrophobicContact CD1-CD1 4.41Å; F251-Y273 AromaticContact CD1-CD2 3.64Å; F251-Y273 HydrophobicContact CD1-CD2 3.64Å; F251-Y273 HydrophobicContact CD1-CE2 4.02Å; F251-Y273 AromaticContact CD1-CG 3.84Å; F251-Y273 HydrophobicContact CD1-CG 3.84Å; F251-Y273 HydrophobicContact CE1-CD1 4.32Å; F251-Y273 AromaticContact CE1-CD2 3.72Å; F251-Y273 HydrophobicContact CE1-CD2 3.72Å; F251-Y273 HydrophobicContact CE1-CE1 4.19Å; F251-Y273 AromaticContact CE1-CE2 3.59Å; F251-Y273 HydrophobicContact CE1-CE2 3.59Å; F251-Y273 HydrophobicContact CE1-CG 4.07Å; F251-Y273 AromaticContact CE1-CZ 3.82Å; M252-Y273 HydrophobicContact SD-CD2 3.95Å; M252-Y273 HydrophobicContact SD-CE2 3.81Å; I268-Y273 HydrophobicContact CG2-CD2 4.28Å; T269-Y273 PolarHBondContact O-N 3.12Å; N270-Y273 PolarHBondContact O-N 3.34Å; K271-Y273 VanDerWaalsContact C-N 3.34Å; Y273-N275 VanDerWaalsContact C-N 3.34Å; Y273-N275 PolarHBondContact O-N 3.4Å; Y273-A276 PolarHBondContact O-N 2.9Å; Y273-V277 HydrophobicContact CD1-CG2 3.93Å; Y273-V277 HydrophobicContact CE1-CG2 3.81Å; Y273-V277 WeakPolarHBondContact O-CG2 3.15Å; Y273-V277 PolarHBondContact O-N 3.48Å; Y273-Q308 HydrophobicContact CE2-CB 4.18Å; Y273-Q308 PolarHBondContact OH-O 3.42Å; Y273-Q308 PolarHBondContact OH-OE1 3.17Å; Y273-I312 HydrophobicContact CE1-CB 4.28Å; Y273-I312 HydrophobicContact CE1-CG1 4.25Å; Y273-I312 HydrophobicContact CE1-CG2 3.85Å; Y273-L445 VanDerWaalsContact CA-CD2 3.48Å; Y273-L445 HydrophobicContact CD2-CD2 4.13Å; Y273-L445 HydrophobicContact CG-CD2 4.44Å
274L94.5Very high94.2Very high9 Ų914.7 Ų14.75%0.0477%0.072CC..Hα-helixtrans-61.8-39.3178.1-70.6169.6000112.9P71 K72 L77 N270 K271 V277 K278P71-L274 HydrophobicContact CB-CD2 4.1Å; P71-L274 HydrophobicContact CG-CD2 4.18Å; P71-L274 WeakPolarHBondContact O-CD1 3.47Å; K72-L274 VanDerWaalsContact C-CD1 3.41Å; K72-L274 WeakPolarHBondContact O-CD1 3.44Å; L77-L274 HydrophobicContact CD1-CD2 3.61Å; L77-L274 HydrophobicContact CD2-CD2 4.38Å; L77-L274 HydrophobicContact CG-CD2 3.85Å; N270-L274 WeakPolarHBondContact O-CB 3.2Å; N270-L274 VanDerWaalsContact O-CG 3.24Å; N270-L274 WeakPolarHBondContact O-CG 3.14Å; N270-L274 PolarHBondContact O-N 3.37Å; K271-L274 PolarHBondContact O-N 3.44Å; L274-V277 PolarHBondContact O-N 3.04Å; L274-K278 WeakPolarHBondContact O-CG 2.77Å; L274-K278 PolarHBondContact O-N 2.93Å
275N94.1Very high93.9Very high24 Ų2416.2 Ų16.213%0.1288%0.08CC..Hα-helixtrans-63.3-41.8175-74.6-54000111.6K271 A272 Y273 V277 K278 L279 K495K271-N275 PolarHBondContact O-N 2.87Å; K271-N275 PolarHBondContact O-ND2 3.02Å; A272-N275 PolarHBondContact O-N 2.96Å; Y273-N275 VanDerWaalsContact C-N 3.34Å; Y273-N275 PolarHBondContact O-N 3.4Å; N275-V277 VanDerWaalsContact C-N 3.33Å; N275-V277 PolarHBondContact O-N 2.94Å; N275-K278 WeakPolarHBondContact O-CB 3.36Å; N275-K278 PolarHBondContact O-N 3.42Å; N275-L279 WeakPolarHBondContact O-CG 3.12Å; N275-L279 PolarHBondContact O-N 2.93Å; N275-L279 VanDerWaalsContact O-N 3.13Å; N275-K495 HydrophobicContact CB-CB 4.17Å; N275-K495 PolarHBondContact ND2-O 3.27Å
276A95.5Very high93.3Very high0 Ų017.5 Ų17.50%09%0.086CC..Hα-helixtrans-64.4-36.9175.600000112.4A272 Y273 L279 T280 L309 L445 L447 C496A272-A276 PolarHBondContact O-N 3.07Å; A272-A276 VanDerWaalsContact O-N 3.07Å; Y273-A276 PolarHBondContact O-N 2.9Å; A276-L279 PolarHBondContact O-N 3.12Å; A276-T280 PolarHBondContact O-N 3.32Å; A276-T280 PolarHBondContact O-OG1 2.74Å; A276-L309 HydrophobicContact CB-CD1 4.13Å; A276-L309 HydrophobicContact CB-CD2 3.72Å; A276-L445 HydrophobicContact CB-CB 4.12Å; A276-L445 HydrophobicContact CB-CD2 3.76Å; A276-L445 HydrophobicContact CB-CG 4Å; A276-L447 WeakPolarHBondContact O-CD1 3.39Å; A276-C496 HydrophobicContact CB-CB 4.3Å
277V94.7Very high92.7Very high0 Ų017.6 Ų17.60%09%0.086CC..Hα-helixtrans-64.7-40.8173.2179.70000111.5L77 Y273 L274 N275 L279 T280 I281 L309 I312L77-V277 HydrophobicContact CD1-CB 3.93Å; L77-V277 HydrophobicContact CD1-CG1 3.71Å; L77-V277 HydrophobicContact CD1-CG2 3.87Å; L77-V277 HydrophobicContact CD2-CG1 4.44Å; Y273-V277 HydrophobicContact CD1-CG2 3.93Å; Y273-V277 HydrophobicContact CE1-CG2 3.81Å; Y273-V277 WeakPolarHBondContact O-CG2 3.15Å; Y273-V277 PolarHBondContact O-N 3.48Å; L274-V277 PolarHBondContact O-N 3.04Å; N275-V277 VanDerWaalsContact C-N 3.33Å; N275-V277 PolarHBondContact O-N 2.94Å; V277-L279 VanDerWaalsContact C-N 3.27Å; V277-L279 PolarHBondContact O-N 2.88Å; V277-T280 WeakPolarHBondContact O-CA 3.3Å; V277-T280 WeakPolarHBondContact O-CB 3.45Å; V277-T280 PolarHBondContact O-N 2.99Å; V277-I281 HydrophobicContact CG1-CD1 3.88Å; V277-I281 HydrophobicContact CG1-CG1 4.29Å; V277-I281 WeakPolarHBondContact O-CG1 3.39Å; V277-I281 PolarHBondContact O-N 2.87Å; V277-L309 HydrophobicContact CG2-CD2 3.97Å; V277-I312 HydrophobicContact CG1-CG2 4.37Å; V277-I312 HydrophobicContact CG2-CG2 3.39Å
278K93.1Very high91.9Very high36 Ų3621.5 Ų21.516%0.15710%0.103CC..Hα-helixtrans-58.2-38.5174.3-70.5174-175.81780112.2L63 E70 L274 N275 I281 S282L63-K278 HydrophobicContact CD2-CB 4.28Å; E70-K278 IonicContact OE1-NZ 3.04Å; E70-K278 PolarHBondContact OE1-NZ 3.25Å; L274-K278 WeakPolarHBondContact O-CG 2.77Å; L274-K278 PolarHBondContact O-N 2.93Å; N275-K278 WeakPolarHBondContact O-CB 3.36Å; N275-K278 PolarHBondContact O-N 3.42Å; K278-I281 PolarHBondContact O-N 2.81Å; K278-S282 PolarHBondContact O-N 3.2Å
279L93.5Very high91.5Very high7 Ų722.5 Ų22.54%0.03711%0.108CC..Hα-helixtrans-66.9-35.5173.8-59.3-174.3000112.5N275 A276 V277 S282 L283 L447 F465 P466 V468 C496N275-L279 WeakPolarHBondContact O-CG 3.12Å; N275-L279 PolarHBondContact O-N 2.93Å; N275-L279 VanDerWaalsContact O-N 3.13Å; A276-L279 PolarHBondContact O-N 3.12Å; V277-L279 VanDerWaalsContact C-N 3.27Å; V277-L279 PolarHBondContact O-N 2.88Å; L279-S282 PolarHBondContact O-N 3.36Å; L279-S282 PolarHBondContact O-OG 3.39Å; L279-L283 PolarHBondContact O-N 2.79Å; L279-L447 HydrophobicContact CB-CB 4.44Å; L279-L447 HydrophobicContact CB-CD1 3.93Å; L279-L447 HydrophobicContact CD1-CB 4.25Å; L279-F465 HydrophobicContact CB-CD1 4.23Å; L279-F465 HydrophobicContact CB-CG 4.45Å; L279-F465 HydrophobicContact CD1-CB 3.95Å; L279-F465 HydrophobicContact CD1-CG 4.34Å; L279-F465 HydrophobicContact CD2-CB 4.2Å; L279-P466 HydrophobicContact CD2-CB 4.49Å; L279-P466 VanDerWaalsContact CD2-O 3.28Å; L279-P466 WeakPolarHBondContact CD2-O 3.43Å; L279-V468 HydrophobicContact CD1-CG2 4.08Å; L279-C496 VanDerWaalsContact CD1-SG 3.56Å
280T93.1Very high91.1Very high14 Ų1425.7 Ų25.79%0.08613%0.131CC..Hα-helixtrans-66-42.1175.1-47.70000111.2A276 V277 L283 T284 W313 L447A276-T280 PolarHBondContact O-N 3.32Å; A276-T280 PolarHBondContact O-OG1 2.74Å; V277-T280 WeakPolarHBondContact O-CA 3.3Å; V277-T280 WeakPolarHBondContact O-CB 3.45Å; V277-T280 PolarHBondContact O-N 2.99Å; T280-L283 WeakPolarHBondContact O-CB 3.23Å; T280-L283 PolarHBondContact O-N 2.67Å; T280-T284 PolarHBondContact O-N 3.47Å; T280-T284 PolarHBondContact O-OG1 3.35Å; T280-W313 HydrophobicContact CG2-CB 3.72Å; T280-W313 HydrophobicContact CG2-CD2 4.43Å; T280-W313 HydrophobicContact CG2-CG 3.74Å; T280-L447 WeakPolarHBondContact OG1-CD1 3.49Å
281I92Very high91Very high6 Ų627.8 Ų27.83%0.03114%0.144CC..Hα-helixtrans-64.5-46.6175.5-65.8163.6000110.1V65 V277 K278 L283 T284 E285 Y316V65-I281 HydrophobicContact CG2-CG2 3.94Å; V277-I281 HydrophobicContact CG1-CD1 3.88Å; V277-I281 HydrophobicContact CG1-CG1 4.29Å; V277-I281 WeakPolarHBondContact O-CG1 3.39Å; V277-I281 PolarHBondContact O-N 2.87Å; K278-I281 PolarHBondContact O-N 2.81Å; I281-L283 VanDerWaalsContact C-N 3.3Å; I281-L283 PolarHBondContact O-N 3.24Å; I281-T284 WeakPolarHBondContact O-CA 3.34Å; I281-T284 VanDerWaalsContact O-CB 3.29Å; I281-T284 WeakPolarHBondContact O-CB 3.41Å; I281-T284 PolarHBondContact O-N 3.25Å; I281-E285 HydrophobicContact CG2-CG 4.21Å; I281-E285 PolarHBondContact O-N 3.25Å; I281-Y316 HydrophobicContact CD1-CD1 3.73Å; I281-Y316 HydrophobicContact CD1-CD2 4.24Å; I281-Y316 HydrophobicContact CD1-CE1 3.47Å; I281-Y316 VanDerWaalsContact CD1-CE1 3.47Å; I281-Y316 HydrophobicContact CD1-CE2 3.97Å; I281-Y316 HydrophobicContact CD1-CG 4.12Å; I281-Y316 HydrophobicContact CG1-CD1 3.93Å; I281-Y316 HydrophobicContact CG1-CE1 3.78Å; I281-Y316 HydrophobicContact CG2-CE1 4.3Å
282S89.4Confident90.7Very high0 Ų031.9 Ų31.90%016%0.164CC..Hα-helixtrans-61-39.4179.479.50000111.8K278 L279 T284 E285 E286K278-S282 PolarHBondContact O-N 3.2Å; L279-S282 PolarHBondContact O-N 3.36Å; L279-S282 PolarHBondContact O-OG 3.39Å; S282-T284 PolarHBondContact O-N 3.04Å; S282-E285 PolarHBondContact O-N 3.35Å; S282-E286 VanDerWaalsContact O-CB 3.24Å; S282-E286 WeakPolarHBondContact O-CB 3.43Å; S282-E286 WeakPolarHBondContact O-CG 3.42Å; S282-E286 PolarHBondContact O-N 2.88Å
283L88.5Confident90.5Very high7 Ų735.2 Ų35.24%0.03718%0.182CC..Hα-helixtrans-56-41.3173-175.462.9000111.8L279 T280 I281 N287 I413 I436 S450 F465L279-L283 PolarHBondContact O-N 2.79Å; T280-L283 WeakPolarHBondContact O-CB 3.23Å; T280-L283 PolarHBondContact O-N 2.67Å; I281-L283 VanDerWaalsContact C-N 3.3Å; I281-L283 PolarHBondContact O-N 3.24Å; L283-N287 WeakPolarHBondContact CD1-ND2 3.47Å; L283-N287 WeakPolarHBondContact O-CB 3.28Å; L283-N287 PolarHBondContact O-N 2.85Å; L283-N287 PolarHBondContact O-ND2 2.83Å; L283-I413 HydrophobicContact CD2-CD1 4Å; L283-I436 HydrophobicContact CD2-CD1 4.35Å; L283-S450 WeakPolarHBondContact CD1-OG 3.19Å; L283-F465 HydrophobicContact CB-CE1 3.94Å; L283-F465 HydrophobicContact CB-CZ 4.32Å; L283-F465 HydrophobicContact CD1-CE1 4.05Å; L283-F465 HydrophobicContact CD1-CZ 4.07Å; L283-F465 HydrophobicContact CD2-CZ 4.18Å; L283-F465 HydrophobicContact CG-CE1 4.42Å; L283-F465 HydrophobicContact CG-CZ 4.42Å
284T89Confident90.6Very high19 Ų1935.3 Ų35.312%0.11718%0.182CC..Hα-helixtrans-69.7-46.7-178.4-54.80000111.2T280 I281 S282 H288 F289 T291 W313T280-T284 PolarHBondContact O-N 3.47Å; T280-T284 PolarHBondContact O-OG1 3.35Å; I281-T284 WeakPolarHBondContact O-CA 3.34Å; I281-T284 VanDerWaalsContact O-CB 3.29Å; I281-T284 WeakPolarHBondContact O-CB 3.41Å; I281-T284 PolarHBondContact O-N 3.25Å; S282-T284 PolarHBondContact O-N 3.04Å; T284-H288 PolarHBondContact O-N 3.03Å; T284-F289 HydrophobicContact CG2-CB 3.85Å; T284-F289 HydrophobicContact CG2-CD1 3.83Å; T284-F289 HydrophobicContact CG2-CG 4.3Å; T284-F289 PolarHBondContact O-N 3.29Å; T284-T291 HydrophobicContact CG2-CG2 3.93Å; T284-W313 HydrophobicContact CG2-CZ2 3.8Å; T284-W313 PolarHBondContact OG1-NE1 3.19Å
285E87Confident90.8Very high82 Ų8234.9 Ų34.938%0.38318%0.18SC..Hα-helixtrans-67.5-45.8-179-69.1-178.2171.200112.6S64 I281 S282 N287 H288S64-E285 PolarHBondContact OG-OE2 2.93Å; I281-E285 HydrophobicContact CG2-CG 4.21Å; I281-E285 PolarHBondContact O-N 3.25Å; S282-E285 PolarHBondContact O-N 3.35Å; E285-N287 VanDerWaalsContact C-N 3.25Å; E285-N287 PolarHBondContact O-N 3.48Å; E285-H288 WeakPolarHBondContact O-CA 3.38Å; E285-H288 PolarHBondContact O-N 3.01Å; E285-H288 PolarHBondContact O-ND1 3.05Å
286E83.2Confident90.9Very high28 Ų2833.7 Ų33.713%0.13117%0.174CC..Hα-helixtrans-61.8-34.3179.3-72.9171.5-177.800111.9R61 S282 H288 M452R61-E286 VanDerWaalsContact CD-OE2 3.25Å; R61-E286 WeakPolarHBondContact CD-OE2 3.49Å; R61-E286 IonicContact CZ-OE2 3.95Å; R61-E286 IonicContact NE-OE2 2.71Å; R61-E286 IonicContact NH1-OE2 2.74Å; R61-E286 PolarHBondContact NH1-OE2 3.33Å; S282-E286 VanDerWaalsContact O-CB 3.24Å; S282-E286 WeakPolarHBondContact O-CB 3.43Å; S282-E286 WeakPolarHBondContact O-CG 3.42Å; S282-E286 PolarHBondContact O-N 2.88Å; E286-H288 VanDerWaalsContact C-N 3.31Å; E286-M452 HydrophobicContact CB-CE 4.05Å
287N83.7Confident91.1Very high1 Ų133.8 Ų33.81%0.00517%0.174CC..THydrogen-bonded Turntrans-88.53.8175.4-71.9-68.2000113.1L283 E285 F289 F453L283-N287 WeakPolarHBondContact CD1-ND2 3.47Å; L283-N287 WeakPolarHBondContact O-CB 3.28Å; L283-N287 PolarHBondContact O-N 2.85Å; L283-N287 PolarHBondContact O-ND2 2.83Å; E285-N287 VanDerWaalsContact C-N 3.25Å; E285-N287 PolarHBondContact O-N 3.48Å; N287-F289 PolarHBondContact O-N 3.44Å; N287-F289 VanDerWaalsContact O-N 3.13Å; N287-F453 HydrophobicContact CB-CD1 3.63Å; N287-F453 HydrophobicContact CB-CD2 3.77Å; N287-F453 HydrophobicContact CB-CE1 3.62Å; N287-F453 HydrophobicContact CB-CE2 3.79Å; N287-F453 HydrophobicContact CB-CG 3.72Å; N287-F453 HydrophobicContact CB-CZ 3.72Å; N287-F453 WeakPolarHBondContact OD1-CB 3.25Å; N287-F453 VanDerWaalsContact OD1-CD1 3.26Å; N287-F453 WeakPolarHBondContact OD1-CD1 3.26Å; N287-F453 WeakPolarHBondContact OD1-CG 3.39Å; N287-F453 PolarHBondContact OD1-N 2.79Å
288H82.5Confident91.2Very high113 Ų11333.8 Ų33.852%0.52318%0.175SC..THydrogen-bonded Turntrans50.735.4-177.2-57.6-66.8000113.6T284 E285 E286 S290T284-H288 PolarHBondContact O-N 3.03Å; E285-H288 WeakPolarHBondContact O-CA 3.38Å; E285-H288 PolarHBondContact O-N 3.01Å; E285-H288 PolarHBondContact O-ND1 3.05Å; E286-H288 VanDerWaalsContact C-N 3.31Å; H288-S290 PolarHBondContact O-N 3.23Å
289F87.9Confident91.3Very high21 Ų2133.2 Ų33.29%0.09217%0.172CC..  trans-72.5124.7-180-179.7-92.5000110.1T284 N287 T291 L294 W313 F342 T410 A411 F453T284-F289 HydrophobicContact CG2-CB 3.85Å; T284-F289 HydrophobicContact CG2-CD1 3.83Å; T284-F289 HydrophobicContact CG2-CG 4.3Å; T284-F289 PolarHBondContact O-N 3.29Å; N287-F289 PolarHBondContact O-N 3.44Å; N287-F289 VanDerWaalsContact O-N 3.13Å; F289-T291 HydrophobicContact CD1-CG2 4.32Å; F289-L294 HydrophobicContact CE1-CD1 4.12Å; F289-W313 HydrophobicContact CD1-CH2 4.27Å; F289-W313 HydrophobicContact CD1-CZ2 4.07Å; F289-W313 AromaticContact CE1-CH2 3.82Å; F289-W313 HydrophobicContact CE1-CH2 3.82Å; F289-W313 HydrophobicContact CE1-CZ2 4.06Å; F289-F342 HydrophobicContact CE1-CB 4.48Å; F289-F342 HydrophobicContact CZ-CB 3.94Å; F289-F342 HydrophobicContact CZ-CD2 4.23Å; F289-F342 HydrophobicContact CZ-CG 4.5Å; F289-T410 VanDerWaalsContact CE2-OG1 3.22Å; F289-T410 WeakPolarHBondContact CE2-OG1 3.49Å; F289-A411 HydrophobicContact CD2-CB 3.76Å; F289-A411 HydrophobicContact CE2-CB 3.51Å; F289-F453 HydrophobicContact CB-CE2 4.28Å; F289-F453 HydrophobicContact CB-CZ 4.03Å; F289-F453 HydrophobicContact CD2-CE2 4.19Å; F289-F453 AromaticContact CD2-CZ 3.85Å; F289-F453 HydrophobicContact CD2-CZ 3.85Å; F289-F453 HydrophobicContact CG-CZ 4.34Å
290S89.5Confident91.2Very high81 Ų8133.7 Ų33.757%0.56617%0.174SC*.  trans-74.4134.7-179.3179.30000111.9H288H288-S290 PolarHBondContact O-N 3.23Å
291T93Very high91.1Very high47 Ų4734.6 Ų34.629%0.28818%0.18SC..  trans-111.93.5179.253.30000113.8T284 F289 D293 L294 W313T284-T291 HydrophobicContact CG2-CG2 3.93Å; F289-T291 HydrophobicContact CD1-CG2 4.32Å; T291-D293 VanDerWaalsContact C-N 3.3Å; T291-D293 PolarHBondContact O-N 3.37Å; T291-L294 HydrophobicContact CG2-CD2 4.45Å; T291-L294 WeakPolarHBondContact O-CB 3.26Å; T291-L294 PolarHBondContact O-N 3.14Å; T291-L294 VanDerWaalsContact O-N 3.17Å; T291-W313 HydrophobicContact CG2-CZ2 4.22Å
292E88.5Confident91.3Very high172 Ų17234.3 Ų34.380%0.80418%0.179SC*.THydrogen-bonded Turntrans-60.4-29.8-171.2-169.9178.617500114.8
293D92.2Very high91.3Very high72 Ų7235.1 Ų35.139%0.38519%0.185SC..THydrogen-bonded Turntrans-134.750.3169.9-174.332.2000110.1T291 S295 R320 T341 R408T291-D293 VanDerWaalsContact C-N 3.3Å; T291-D293 PolarHBondContact O-N 3.37Å; D293-S295 PolarHBondContact O-N 3.03Å; D293-R320 IonicContact OD1-CZ 3Å; D293-R320 IonicContact OD1-NH2 2.79Å; D293-R320 PolarHBondContact OD1-NH2 3.42Å; D293-R320 IonicContact OD2-NH2 3.16Å; D293-T341 WeakPolarHBondContact O-CG2 3.27Å; D293-T341 PolarHBondContact O-OG1 2.88Å; D293-R408 IonicContact OD2-CZ 2.68Å; D293-R408 IonicContact OD2-NH1 3.29Å; D293-R408 PolarHBondContact OD2-NH1 2.8Å; D293-R408 IonicContact OD2-NH2 2.74Å; D293-R408 PolarHBondContact OD2-NH2 3Å
294L97.5Very high91.3Very high2 Ų237.1 Ų37.11%0.0119%0.194CC..  trans-61.1124.2179-18059.6000110.6F289 T291 W313 A314 G319 R320 T341 F342F289-L294 HydrophobicContact CE1-CD1 4.12Å; T291-L294 HydrophobicContact CG2-CD2 4.45Å; T291-L294 WeakPolarHBondContact O-CB 3.26Å; T291-L294 PolarHBondContact O-N 3.14Å; T291-L294 VanDerWaalsContact O-N 3.17Å; L294-W313 HydrophobicContact CD1-CH2 3.55Å; L294-W313 HydrophobicContact CD1-CZ2 4.44Å; L294-W313 HydrophobicContact CD1-CZ3 3.83Å; L294-W313 HydrophobicContact CD2-CD2 4.4Å; L294-W313 HydrophobicContact CD2-CE3 4.09Å; L294-W313 HydrophobicContact CD2-CH2 3.66Å; L294-W313 HydrophobicContact CD2-CZ2 3.97Å; L294-W313 HydrophobicContact CD2-CZ3 3.72Å; L294-W313 HydrophobicContact CG-CH2 4.27Å; L294-W313 HydrophobicContact CG-CZ3 4.35Å; L294-A314 HydrophobicContact CD2-CB 3.99Å; L294-G319 CarbonylContact O-C 3.58Å; L294-G319 WeakPolarHBondContact O-CA 3.37Å; L294-R320 PolarHBondContact O-N 2.97Å; L294-T341 WeakPolarHBondContact CA-OG1 3.18Å; L294-F342 HydrophobicContact CD1-CB 3.9Å
295S98Very high91.6Very high0 Ų036.4 Ų36.40%019%0.19CC..EExtended strand (participates in β ladder)trans-134.8120.9179.6-1640000108.4D293 R320 F338 P340 T341 F342D293-S295 PolarHBondContact O-N 3.03Å; S295-R320 WeakPolarHBondContact CA-O 3.33Å; S295-R320 PolarHBondContact OG-NE 3.29Å; S295-R320 VanDerWaalsContact OG-NE 3.1Å; S295-F338 PolarHBondContact OG-O 3.44Å; S295-P340 CarbonylContact O-C 3.51Å; S295-P340 WeakPolarHBondContact O-CA 3.14Å; S295-P340 WeakPolarHBondContact O-CB 3.28Å; S295-T341 PolarHBondContact N-OG1 3.42Å; S295-T341 PolarHBondContact O-N 3.27Å; S295-F342 PolarHBondContact O-N 2.75Å
296H98.2Very high91.8Very high0 Ų034.7 Ų34.70%018%0.183CC..EExtended strand (participates in β ladder)trans-120.7153.4-179.2173.352.8000110.1E307 A314 R320 I321 G322H296-E307 IonicContact CD2-OE1 3.42Å; H296-E307 IonicContact CE1-OE1 2.97Å; H296-E307 IonicContact CE1-OE2 3.94Å; H296-E307 IonicContact NE2-OE1 2.71Å; H296-E307 PolarHBondContact NE2-OE1 3.04Å; H296-E307 IonicContact NE2-OE2 3.83Å; H296-E307 PolarHBondContact NE2-OE2 3.04Å; H296-A314 HydrophobicContact CB-CB 4.43Å; H296-R320 PolarHBondContact N-O 3.23Å; H296-I321 CarbonylContact O-C 3.6Å; H296-I321 WeakPolarHBondContact O-CA 3.45Å; H296-G322 PolarHBondContact O-N 3.49Å
297V98.3Very high92.4Very high1 Ų133.4 Ų33.41%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-118.1114.6170.3176.30000108.6F299 G322 L324 L335 F338 P340V297-F299 PolarHBondContact O-N 2.99Å; V297-F299 VanDerWaalsContact O-N 3.12Å; V297-G322 CarbonylContact C-O 3.47Å; V297-G322 WeakPolarHBondContact CA-O 3.11Å; V297-L324 HydrophobicContact CG1-CD2 4.14Å; V297-L335 HydrophobicContact CB-CD2 3.98Å; V297-L335 HydrophobicContact CG1-CD2 4.32Å; V297-L335 HydrophobicContact CG2-CD2 4.01Å; V297-F338 HydrophobicContact CG2-CB 3.48Å; V297-F338 VanDerWaalsContact CG2-CB 3.48Å; V297-F338 HydrophobicContact CG2-CD2 4.11Å; V297-F338 HydrophobicContact CG2-CG 3.97Å; V297-P340 HydrophobicContact CG2-CB 4.28Å; V297-P340 HydrophobicContact CG2-CG 4.25Å
298S97.7Very high93Very high1 Ų133.3 Ų33.31%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-78.493.4179-169.80000110.5N139 E307 G322N139-S298 PolarHBondContact ND2-OG 3.15Å; S298-E307 VanDerWaalsContact CA-OE1 3.25Å; S298-E307 WeakPolarHBondContact CA-OE1 3.24Å; S298-E307 WeakPolarHBondContact CB-OE1 3.23Å; S298-E307 PolarHBondContact OG-OE1 3.48Å; S298-G322 PolarHBondContact N-O 3.15Å
299F94.2Very high93.7Very high24 Ų2428.3 Ų28.311%0.10515%0.153CC..  trans-117.6-23.5176.880.5-89.1000113.3V297 L324 I328 L331 F343 C344 L349V297-F299 PolarHBondContact O-N 2.99Å; V297-F299 VanDerWaalsContact O-N 3.12Å; F299-L324 HydrophobicContact CB-CD1 3.9Å; F299-L324 HydrophobicContact CB-CD2 3.91Å; F299-L324 HydrophobicContact CB-CG 3.94Å; F299-I328 HydrophobicContact CD2-CD1 3.71Å; F299-I328 HydrophobicContact CE2-CD1 4.37Å; F299-L331 HydrophobicContact CB-CD1 3.81Å; F299-L331 HydrophobicContact CD1-CD1 4.13Å; F299-L331 HydrophobicContact CD2-CD1 4.37Å; F299-L331 HydrophobicContact CD2-CD2 4.23Å; F299-L331 HydrophobicContact CE2-CD2 4.41Å; F299-L331 HydrophobicContact CG-CD1 3.84Å; F299-L331 HydrophobicContact CG-CD2 4.47Å; F299-F343 HydrophobicContact CD1-CE2 4.14Å; F299-F343 HydrophobicContact CE1-CD2 4.25Å; F299-F343 AromaticContact CE1-CE2 3.47Å; F299-F343 HydrophobicContact CE1-CE2 3.47Å; F299-F343 VanDerWaalsContact CE1-CE2 3.47Å; F299-F343 AromaticContact CE1-CZ 3.92Å; F299-F343 HydrophobicContact CE1-CZ 3.92Å; F299-F343 HydrophobicContact CZ-CE2 4.15Å; F299-F343 HydrophobicContact CZ-CZ 4.13Å; F299-C344 WeakPolarHBondContact CE1-O 3.45Å; F299-C344 WeakPolarHBondContact CZ-O 3.25Å; F299-L349 HydrophobicContact CE2-CD2 3.71Å; F299-L349 HydrophobicContact CZ-CD2 3.61Å
300L92.5Very high94.1Very high16 Ų1627.8 Ų27.88%0.08415%0.152CC..SBendtrans-75.1144.1172.6-66.8164.9000108.4N139 L302 M306 E307 C344 V346N139-L300 PolarHBondContact ND2-O 3.38Å; L300-L302 PolarHBondContact O-N 3.46Å; L300-M306 HydrophobicContact CD1-CE 3.21Å; L300-M306 HydrophobicContact CD2-CE 4.16Å; L300-M306 HydrophobicContact CG-CE 4.27Å; L300-E307 HydrophobicContact CB-CB 3.95Å; L300-E307 HydrophobicContact CB-CG 4.41Å; L300-E307 VanDerWaalsContact O-CG 3.24Å; L300-E307 WeakPolarHBondContact O-CG 3.4Å; L300-C344 HydrophobicContact CD1-CB 4.19Å; L300-C344 WeakPolarHBondContact CD1-O 3.31Å; L300-V346 HydrophobicContact CD2-CG1 3.88Å
301P91.3Very high94.5Very high33 Ų3323.9 Ų23.921%0.21413%0.125CC..  trans-68133-171.5-11.623.7000111.8Y161 S303 H304Y161-P301 HydrophobicContact CD2-CB 4.28Å; Y161-P301 HydrophobicContact CE2-CB 3.58Å; Y161-P301 HydrophobicContact CE2-CG 3.55Å; P301-S303 PolarHBondContact O-N 3.44Å; P301-S303 VanDerWaalsContact O-N 3.17Å; P301-H304 WeakPolarHBondContact O-CB 3.21Å; P301-H304 PolarHBondContact O-N 3.37Å
302L94.5Very high94.7Very high0 Ų021.7 Ų21.70%011%0.111CC..THydrogen-bonded Turntrans-66.4-13.8177.3-80159.5000113.1N139 W143 V144 L300 H304 E307 Q308 M311 F323N139-L302 HydrophobicContact CB-CD1 3.7Å; N139-L302 HydrophobicContact CB-CG 4.38Å; N139-L302 VanDerWaalsContact CG-CD1 3.49Å; N139-L302 PolarHBondContact OD1-N 3.24Å; W143-L302 HydrophobicContact CD2-CB 3.9Å; W143-L302 HydrophobicContact CD2-CD1 3.71Å; W143-L302 HydrophobicContact CD2-CG 4.38Å; W143-L302 HydrophobicContact CE3-CB 3.77Å; W143-L302 HydrophobicContact CE3-CD1 3.37Å; W143-L302 HydrophobicContact CE3-CD2 4.25Å; W143-L302 HydrophobicContact CE3-CG 3.98Å; W143-L302 HydrophobicContact CG-CD1 4.25Å; W143-L302 HydrophobicContact CH2-CB 3.48Å; W143-L302 VanDerWaalsContact CH2-CB 3.48Å; W143-L302 HydrophobicContact CH2-CD2 4.49Å; W143-L302 HydrophobicContact CH2-CG 4.39Å; W143-L302 HydrophobicContact CZ2-CB 3.53Å; W143-L302 HydrophobicContact CZ3-CB 3.55Å; W143-L302 HydrophobicContact CZ3-CD1 3.88Å; W143-L302 HydrophobicContact CZ3-CD2 3.9Å; W143-L302 HydrophobicContact CZ3-CG 3.97Å; V144-L302 HydrophobicContact CG2-CD1 4.02Å; L300-L302 PolarHBondContact O-N 3.46Å; L302-H304 PolarHBondContact O-N 3.47Å; L302-E307 HydrophobicContact CD2-CB 4.43Å; L302-E307 HydrophobicContact CD2-CG 3.57Å; L302-E307 HydrophobicContact CG-CG 3.82Å; L302-Q308 WeakPolarHBondContact O-CG 3.26Å; L302-Q308 PolarHBondContact O-NE2 3.19Å; L302-M311 HydrophobicContact CD2-CB 4.07Å; L302-M311 HydrophobicContact CD2-CG 4.21Å; L302-M311 HydrophobicContact CD2-SD 3.57Å; L302-M311 VanDerWaalsContact CD2-SD 3.57Å; L302-F323 HydrophobicContact CD1-CE1 4.27Å
303S91.3Very high95Very high18 Ų1813.9 Ų13.913%0.1267%0.074CC..THydrogen-bonded Turntrans-70.9-1.6168.464.30000113.9Y161 L254 P301Y161-S303 WeakPolarHBondContact CD2-OG 3.49Å; L254-S303 WeakPolarHBondContact CD2-O 3.21Å; P301-S303 PolarHBondContact O-N 3.44Å; P301-S303 VanDerWaalsContact O-N 3.17Å
304H88.5Confident95.3Very high48 Ų4810.5 Ų10.522%0.2226%0.056CC..SBendtrans-112.2142.7176.3-75.4-96.7000111.9P301 L302 M306 E307 Q308P301-H304 WeakPolarHBondContact O-CB 3.21Å; P301-H304 PolarHBondContact O-N 3.37Å; L302-H304 PolarHBondContact O-N 3.47Å; H304-M306 PolarHBondContact O-N 2.8Å; H304-M306 VanDerWaalsContact O-N 3.1Å; H304-E307 PolarHBondContact O-N 2.97Å; H304-Q308 WeakPolarHBondContact O-CG 3.29Å; H304-Q308 PolarHBondContact O-N 3.48Å
305A93.8Very high95.4Very high5 Ų510.4 Ų10.44%0.0416%0.055CC..Hα-helixtrans-54.4-32.1-17900000114.2L254 Q308 L309 L445L254-A305 HydrophobicContact CD1-CB 4.16Å; A305-Q308 WeakPolarHBondContact O-CB 3.39Å; A305-Q308 PolarHBondContact O-N 3.17Å; A305-L309 WeakPolarHBondContact O-CG 3.3Å; A305-L309 PolarHBondContact O-N 3.14Å; A305-L445 HydrophobicContact CB-CD1 4.08Å
306M92.4Very high95.3Very high46 Ų4611.3 Ų11.323%0.2276%0.059CC..Hα-helixtrans-66.7-46.7-177.5-168.3167.289.900112.6L300 H304 Q308 T310 S345 V346L300-M306 HydrophobicContact CD1-CE 3.21Å; L300-M306 HydrophobicContact CD2-CE 4.16Å; L300-M306 HydrophobicContact CG-CE 4.27Å; H304-M306 PolarHBondContact O-N 2.8Å; H304-M306 VanDerWaalsContact O-N 3.1Å; M306-Q308 VanDerWaalsContact C-N 3.35Å; M306-T310 WeakPolarHBondContact O-CB 2.82Å; M306-T310 PolarHBondContact O-N 3.28Å; M306-T310 VanDerWaalsContact O-N 3.15Å; M306-T310 PolarHBondContact O-OG1 2.88Å; M306-S345 WeakPolarHBondContact CE-O 3.48Å; M306-V346 HydrophobicContact CE-CG1 3.73Å
307E95.1Very high95.1Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-71.7-34.5176-176.863.1-16700110.9H296 S298 L300 L302 H304 L309 T310 M311H296-E307 IonicContact CD2-OE1 3.42Å; H296-E307 IonicContact CE1-OE1 2.97Å; H296-E307 IonicContact CE1-OE2 3.94Å; H296-E307 IonicContact NE2-OE1 2.71Å; H296-E307 PolarHBondContact NE2-OE1 3.04Å; H296-E307 IonicContact NE2-OE2 3.83Å; H296-E307 PolarHBondContact NE2-OE2 3.04Å; S298-E307 VanDerWaalsContact CA-OE1 3.25Å; S298-E307 WeakPolarHBondContact CA-OE1 3.24Å; S298-E307 WeakPolarHBondContact CB-OE1 3.23Å; S298-E307 PolarHBondContact OG-OE1 3.48Å; L300-E307 HydrophobicContact CB-CB 3.95Å; L300-E307 HydrophobicContact CB-CG 4.41Å; L300-E307 VanDerWaalsContact O-CG 3.24Å; L300-E307 WeakPolarHBondContact O-CG 3.4Å; L302-E307 HydrophobicContact CD2-CB 4.43Å; L302-E307 HydrophobicContact CD2-CG 3.57Å; L302-E307 HydrophobicContact CG-CG 3.82Å; H304-E307 PolarHBondContact O-N 2.97Å; E307-L309 PolarHBondContact O-N 2.83Å; E307-T310 PolarHBondContact O-N 3.03Å; E307-M311 VanDerWaalsContact O-CB 3.22Å; E307-M311 WeakPolarHBondContact O-CB 3.48Å; E307-M311 PolarHBondContact O-N 3.45Å
308Q96.5Very high95.1Very high0 Ų012.5 Ų12.50%07%0.069CC..Hα-helixtrans-51.8-54.7174.1-78.2-65.2-38.900112.3Q147 M252 Y273 L302 H304 A305 M306 M311 I312Q147-Q308 VanDerWaalsContact OE1-CD 3.32Å; Q147-Q308 VanDerWaalsContact OE1-OE1 3.09Å; M252-Q308 HydrophobicContact CE-CG 4.04Å; Y273-Q308 HydrophobicContact CE2-CB 4.18Å; Y273-Q308 PolarHBondContact OH-O 3.42Å; Y273-Q308 PolarHBondContact OH-OE1 3.17Å; L302-Q308 WeakPolarHBondContact O-CG 3.26Å; L302-Q308 PolarHBondContact O-NE2 3.19Å; H304-Q308 WeakPolarHBondContact O-CG 3.29Å; H304-Q308 PolarHBondContact O-N 3.48Å; A305-Q308 WeakPolarHBondContact O-CB 3.39Å; A305-Q308 PolarHBondContact O-N 3.17Å; M306-Q308 VanDerWaalsContact C-N 3.35Å; Q308-M311 PolarHBondContact O-N 3.19Å; Q308-I312 WeakPolarHBondContact O-CG2 3.3Å; Q308-I312 PolarHBondContact O-N 2.94Å; Q308-I312 VanDerWaalsContact O-N 3.11Å
309L96.4Very high95.1Very high7 Ų712.6 Ų12.64%0.0377%0.07CC..Hα-helixtrans-67.2-38.9179.9-66-179.1000112.3A276 V277 A305 E307 I312 W313 L445 L447A276-L309 HydrophobicContact CB-CD1 4.13Å; A276-L309 HydrophobicContact CB-CD2 3.72Å; V277-L309 HydrophobicContact CG2-CD2 3.97Å; A305-L309 WeakPolarHBondContact O-CG 3.3Å; A305-L309 PolarHBondContact O-N 3.14Å; E307-L309 PolarHBondContact O-N 2.83Å; L309-I312 WeakPolarHBondContact O-CG2 3.36Å; L309-W313 WeakPolarHBondContact O-CB 3.45Å; L309-W313 PolarHBondContact O-N 2.77Å; L309-L445 VanDerWaalsContact CD1-O 3.23Å; L309-L445 WeakPolarHBondContact CD1-O 3.32Å; L309-L447 HydrophobicContact CD1-CD1 3.8Å; L309-L447 HydrophobicContact CD1-CG 3.79Å
310T96.7Very high95.3Very high10 Ų1014.1 Ų14.16%0.0618%0.075CC..Hα-helixtrans-62.7-46177.6-56.10000111.3M306 E307 A314 F342 C344M306-T310 WeakPolarHBondContact O-CB 2.82Å; M306-T310 PolarHBondContact O-N 3.28Å; M306-T310 VanDerWaalsContact O-N 3.15Å; M306-T310 PolarHBondContact O-OG1 2.88Å; E307-T310 PolarHBondContact O-N 3.03Å; T310-A314 WeakPolarHBondContact O-CB 3.06Å; T310-A314 PolarHBondContact O-N 3.4Å; T310-F342 HydrophobicContact CG2-CD1 4.39Å; T310-F342 HydrophobicContact CG2-CE1 3.89Å; T310-C344 HydrophobicContact CG2-CB 3.9Å; T310-C344 PolarHBondContact OG1-SG 2.98Å
311M97.7Very high95.6Very high0 Ų013.4 Ų13.40%07%0.071CC..Hα-helixtrans-63.4-51.6-179.3179.9-14965.900111.3V144 L302 E307 Q308 W313 A314 I315 I321V144-M311 HydrophobicContact CB-SD 4.11Å; V144-M311 HydrophobicContact CG1-CE 4.44Å; V144-M311 HydrophobicContact CG1-SD 3.65Å; V144-M311 HydrophobicContact CG2-CG 4.39Å; V144-M311 HydrophobicContact CG2-SD 3.44Å; V144-M311 WeakPolarHBondContact CG2-SD 3.46Å; L302-M311 HydrophobicContact CD2-CB 4.07Å; L302-M311 HydrophobicContact CD2-CG 4.21Å; L302-M311 HydrophobicContact CD2-SD 3.57Å; L302-M311 VanDerWaalsContact CD2-SD 3.57Å; E307-M311 VanDerWaalsContact O-CB 3.22Å; E307-M311 WeakPolarHBondContact O-CB 3.48Å; E307-M311 PolarHBondContact O-N 3.45Å; Q308-M311 PolarHBondContact O-N 3.19Å; M311-W313 VanDerWaalsContact C-N 3.34Å; M311-W313 PolarHBondContact O-N 3.09Å; M311-A314 PolarHBondContact O-N 2.89Å; M311-I315 HydrophobicContact CE-CD1 4.44Å; M311-I315 HydrophobicContact CG-CD1 4.14Å; M311-I315 WeakPolarHBondContact O-CG1 3.28Å; M311-I315 PolarHBondContact O-N 2.93Å; M311-I321 HydrophobicContact CB-CD1 4.22Å; M311-I321 HydrophobicContact CG-CD1 3.55Å
312I97.7Very high96Very high0 Ų011.8 Ų11.80%06%0.061CC..Hα-helixtrans-68.9-34.1-177.4-166.961.9000112.1P74 L77 L148 Y273 V277 Q308 L309 I315 Y316P74-I312 HydrophobicContact CB-CD1 4.43Å; L77-I312 HydrophobicContact CB-CD1 4.19Å; L77-I312 HydrophobicContact CB-CG1 4.2Å; L77-I312 HydrophobicContact CD1-CG1 3.84Å; L148-I312 HydrophobicContact CD2-CD1 4.13Å; Y273-I312 HydrophobicContact CE1-CB 4.28Å; Y273-I312 HydrophobicContact CE1-CG1 4.25Å; Y273-I312 HydrophobicContact CE1-CG2 3.85Å; V277-I312 HydrophobicContact CG1-CG2 4.37Å; V277-I312 HydrophobicContact CG2-CG2 3.39Å; Q308-I312 WeakPolarHBondContact O-CG2 3.3Å; Q308-I312 PolarHBondContact O-N 2.94Å; Q308-I312 VanDerWaalsContact O-N 3.11Å; L309-I312 WeakPolarHBondContact O-CG2 3.36Å; I312-I315 HydrophobicContact CD1-CG2 4.46Å; I312-I315 PolarHBondContact O-N 3.14Å; I312-Y316 VanDerWaalsContact O-CB 3.31Å; I312-Y316 WeakPolarHBondContact O-CB 3.11Å; I312-Y316 PolarHBondContact O-N 3.44Å
313W95.9Very high96.1Very high9 Ų911.8 Ų11.83%0.0346%0.061CC..Hα-helixtrans-61.6-47.3171.7164.978.8000111.1T280 T284 F289 T291 L294 L309 M311 I315 Y316 S317 F342T280-W313 HydrophobicContact CG2-CB 3.72Å; T280-W313 HydrophobicContact CG2-CD2 4.43Å; T280-W313 HydrophobicContact CG2-CG 3.74Å; T284-W313 HydrophobicContact CG2-CZ2 3.8Å; T284-W313 PolarHBondContact OG1-NE1 3.19Å; F289-W313 HydrophobicContact CD1-CH2 4.27Å; F289-W313 HydrophobicContact CD1-CZ2 4.07Å; F289-W313 AromaticContact CE1-CH2 3.82Å; F289-W313 HydrophobicContact CE1-CH2 3.82Å; F289-W313 HydrophobicContact CE1-CZ2 4.06Å; T291-W313 HydrophobicContact CG2-CZ2 4.22Å; L294-W313 HydrophobicContact CD1-CH2 3.55Å; L294-W313 HydrophobicContact CD1-CZ2 4.44Å; L294-W313 HydrophobicContact CD1-CZ3 3.83Å; L294-W313 HydrophobicContact CD2-CD2 4.4Å; L294-W313 HydrophobicContact CD2-CE3 4.09Å; L294-W313 HydrophobicContact CD2-CH2 3.66Å; L294-W313 HydrophobicContact CD2-CZ2 3.97Å; L294-W313 HydrophobicContact CD2-CZ3 3.72Å; L294-W313 HydrophobicContact CG-CH2 4.27Å; L294-W313 HydrophobicContact CG-CZ3 4.35Å; L309-W313 WeakPolarHBondContact O-CB 3.45Å; L309-W313 PolarHBondContact O-N 2.77Å; M311-W313 VanDerWaalsContact C-N 3.34Å; M311-W313 PolarHBondContact O-N 3.09Å; W313-I315 VanDerWaalsContact C-N 3.28Å; W313-I315 PolarHBondContact O-N 3.24Å; W313-Y316 PolarHBondContact O-N 3.47Å; W313-S317 WeakPolarHBondContact O-CB 3.44Å; W313-S317 PolarHBondContact O-N 3.15Å; W313-S317 PolarHBondContact O-OG 2.65Å; W313-F342 HydrophobicContact CH2-CB 4.35Å; W313-F342 HydrophobicContact CH2-CD1 4.17Å; W313-F342 HydrophobicContact CH2-CD2 4.4Å; W313-F342 HydrophobicContact CH2-CG 4.04Å; W313-F342 HydrophobicContact CZ3-CB 4.46Å; W313-F342 AromaticContact CZ3-CD1 3.67Å; W313-F342 HydrophobicContact CZ3-CD1 3.67Å; W313-F342 HydrophobicContact CZ3-CE1 4.03Å; W313-F342 HydrophobicContact CZ3-CG 4.01Å
314A98Very high96.4Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-59.9-40.9177.900000112L294 H296 T310 M311 S317 G318 G319 I321L294-A314 HydrophobicContact CD2-CB 3.99Å; H296-A314 HydrophobicContact CB-CB 4.43Å; T310-A314 WeakPolarHBondContact O-CB 3.06Å; T310-A314 PolarHBondContact O-N 3.4Å; M311-A314 PolarHBondContact O-N 2.89Å; A314-S317 PolarHBondContact O-N 2.94Å; A314-G318 PolarHBondContact O-N 3.17Å; A314-G319 WeakPolarHBondContact O-CA 3.44Å; A314-G319 PolarHBondContact O-N 3.4Å; A314-I321 HydrophobicContact CB-CD1 4.09Å; A314-I321 HydrophobicContact CB-CG1 4.12Å
315I98.2Very high96.7Very high0 Ų010.7 Ų10.70%06%0.056CC..Hα-helixtrans-63-50.4174.5-72.9172.1000111.4F78 G81 Y106 V144 L148 M311 I312 W313 S317 G318 I321F78-I315 HydrophobicContact CB-CG2 4.07Å; F78-I315 HydrophobicContact CD2-CG2 3.56Å; F78-I315 HydrophobicContact CE2-CG2 4.44Å; F78-I315 HydrophobicContact CG-CG2 4.25Å; G81-I315 VanDerWaalsContact CA-O 3.31Å; G81-I315 WeakPolarHBondContact CA-O 3.41Å; Y106-I315 HydrophobicContact CE1-CG2 4.1Å; Y106-I315 WeakPolarHBondContact OH-CA 3.45Å; Y106-I315 PolarHBondContact OH-O 2.98Å; V144-I315 HydrophobicContact CG1-CD1 4.03Å; L148-I315 HydrophobicContact CD1-CD1 4.2Å; M311-I315 HydrophobicContact CE-CD1 4.44Å; M311-I315 HydrophobicContact CG-CD1 4.14Å; M311-I315 WeakPolarHBondContact O-CG1 3.28Å; M311-I315 PolarHBondContact O-N 2.93Å; I312-I315 HydrophobicContact CD1-CG2 4.46Å; I312-I315 PolarHBondContact O-N 3.14Å; W313-I315 VanDerWaalsContact C-N 3.28Å; W313-I315 PolarHBondContact O-N 3.24Å; I315-S317 PolarHBondContact O-N 2.99Å; I315-G318 PolarHBondContact O-N 3.31Å; I315-I321 HydrophobicContact CD1-CD1 4.3Å; I315-I321 HydrophobicContact CG1-CD1 3.95Å
316Y96Very high96.5Very high20 Ų2014.7 Ų14.78%0.0788%0.076CC..Hα-helixtrans-57-36.7178.6165.5-90.4000112.5L77 I80 K84 I281 I312 W313 G318L77-Y316 HydrophobicContact CB-CD2 4.45Å; L77-Y316 HydrophobicContact CD2-CD2 3.8Å; L77-Y316 HydrophobicContact CD2-CE2 4.24Å; I80-Y316 HydrophobicContact CB-CD2 4.18Å; I80-Y316 HydrophobicContact CB-CE2 4.28Å; I80-Y316 HydrophobicContact CD1-CD2 4.33Å; I80-Y316 HydrophobicContact CD1-CE2 3.98Å; I80-Y316 HydrophobicContact CG2-CD2 3.89Å; I80-Y316 HydrophobicContact CG2-CE2 3.67Å; K84-Y316 PolarHBondContact NZ-O 3.14Å; I281-Y316 HydrophobicContact CD1-CD1 3.73Å; I281-Y316 HydrophobicContact CD1-CD2 4.24Å; I281-Y316 HydrophobicContact CD1-CE1 3.47Å; I281-Y316 VanDerWaalsContact CD1-CE1 3.47Å; I281-Y316 HydrophobicContact CD1-CE2 3.97Å; I281-Y316 HydrophobicContact CD1-CG 4.12Å; I281-Y316 HydrophobicContact CG1-CD1 3.93Å; I281-Y316 HydrophobicContact CG1-CE1 3.78Å; I281-Y316 HydrophobicContact CG2-CE1 4.3Å; I312-Y316 VanDerWaalsContact O-CB 3.31Å; I312-Y316 WeakPolarHBondContact O-CB 3.11Å; I312-Y316 PolarHBondContact O-N 3.44Å; W313-Y316 PolarHBondContact O-N 3.47Å; Y316-G318 PolarHBondContact O-N 2.64Å
317S95.6Very high96.2Very high15 Ų1513.2 Ų13.211%0.1057%0.073CC..THydrogen-bonded Turntrans-75.1-4.9177.6-72.20000113.9W313 A314 I315 G319W313-S317 WeakPolarHBondContact O-CB 3.44Å; W313-S317 PolarHBondContact O-N 3.15Å; W313-S317 PolarHBondContact O-OG 2.65Å; A314-S317 PolarHBondContact O-N 2.94Å; I315-S317 PolarHBondContact O-N 2.99Å; S317-G319 VanDerWaalsContact C-N 3.32Å
318G97.3Very high95.8Very high11 Ų1116.7 Ų16.711%0.1139%0.091CC..THydrogen-bonded Turntrans77.318.1-177.300000113.6S85 Y106 A314 I315 Y316S85-G318 VanDerWaalsContact OG-CA 3.26Å; S85-G318 WeakPolarHBondContact OG-CA 3.26Å; S85-G318 PolarHBondContact OG-O 3.08Å; Y106-G318 WeakPolarHBondContact OH-CA 3.38Å; A314-G318 PolarHBondContact O-N 3.17Å; I315-G318 PolarHBondContact O-N 3.31Å; Y316-G318 PolarHBondContact O-N 2.64Å
319G98.1Very high95.3Very high3 Ų324.4 Ų24.43%0.03113%0.127CC..  trans-83.8179-178.800000114.2Y106 L294 A314 S317Y106-G319 WeakPolarHBondContact CE2-O 3.3Å; Y106-G319 PolarHBondContact OH-N 2.93Å; Y106-G319 VanDerWaalsContact OH-N 3.14Å; Y106-G319 PolarHBondContact OH-O 3.49Å; L294-G319 CarbonylContact O-C 3.58Å; L294-G319 WeakPolarHBondContact O-CA 3.37Å; A314-G319 WeakPolarHBondContact O-CA 3.44Å; A314-G319 PolarHBondContact O-N 3.4Å; S317-G319 VanDerWaalsContact C-N 3.32Å
320R98.5Very high95.1Very high56 Ų5624.5 Ų24.521%0.21113%0.128CC..EExtended strand (participates in β ladder)trans-116.1146.3178.369.4-178.1172.9-143.6-21.4112.1F89 C90 W103 D293 L294 S295 H296F89-R320 HydrophobicContact CB-CB 4.47Å; F89-R320 WeakPolarHBondContact O-CB 3.37Å; C90-R320 CarbonylContact O-C 3.51Å; C90-R320 WeakPolarHBondContact O-CA 3.34Å; W103-R320 HydrophobicContact CE3-CB 4.42Å; W103-R320 HydrophobicContact CH2-CB 4.17Å; W103-R320 HydrophobicContact CH2-CG 3.98Å; W103-R320 HydrophobicContact CZ3-CB 3.72Å; W103-R320 HydrophobicContact CZ3-CG 4.05Å; D293-R320 IonicContact OD1-CZ 3Å; D293-R320 IonicContact OD1-NH2 2.79Å; D293-R320 PolarHBondContact OD1-NH2 3.42Å; D293-R320 IonicContact OD2-NH2 3.16Å; L294-R320 PolarHBondContact O-N 2.97Å; S295-R320 WeakPolarHBondContact CA-O 3.33Å; S295-R320 PolarHBondContact OG-NE 3.29Å; S295-R320 VanDerWaalsContact OG-NE 3.1Å; H296-R320 PolarHBondContact N-O 3.23Å
321I98.8Very high94.9Very high0 Ų024.1 Ų24.10%013%0.126CC..EExtended strand (participates in β ladder)trans-122.3117-178.3-54.4179000109.6C90 L91 G92 H296 M311 A314 I315 F323C90-I321 PolarHBondContact O-N 2.88Å; L91-I321 CarbonylContact C-O 3.42Å; L91-I321 WeakPolarHBondContact CA-O 3.5Å; L91-I321 HydrophobicContact CD2-CB 4.08Å; L91-I321 HydrophobicContact CD2-CD1 4.37Å; G92-I321 PolarHBondContact N-O 3.08Å; H296-I321 CarbonylContact O-C 3.6Å; H296-I321 WeakPolarHBondContact O-CA 3.45Å; M311-I321 HydrophobicContact CB-CD1 4.22Å; M311-I321 HydrophobicContact CG-CD1 3.55Å; A314-I321 HydrophobicContact CB-CD1 4.09Å; A314-I321 HydrophobicContact CB-CG1 4.12Å; I315-I321 HydrophobicContact CD1-CD1 4.3Å; I315-I321 HydrophobicContact CG1-CD1 3.95Å; I321-F323 HydrophobicContact CB-CE2 4.47Å; I321-F323 HydrophobicContact CG2-CE2 4.06Å; I321-F323 HydrophobicContact CG2-CZ 3.98Å
322G98.4Very high94.7Very high0 Ų026.6 Ų26.60%014%0.137CC..EExtended strand (participates in β ladder)trans-85.9144.4168.600000111.8G92 H296 V297 S298G92-G322 CarbonylContact O-C 3.58Å; G92-G322 WeakPolarHBondContact O-CA 3.44Å; H296-G322 PolarHBondContact O-N 3.49Å; V297-G322 CarbonylContact C-O 3.47Å; V297-G322 WeakPolarHBondContact CA-O 3.11Å; S298-G322 PolarHBondContact N-O 3.15Å
323F98Very high94.5Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-111.1147.7173.9-64.4-91000110.3L91 G92 K93 N139 P141 V144 L302 I321 F338L91-F323 HydrophobicContact CB-CE2 4.08Å; L91-F323 HydrophobicContact CD2-CE2 3.97Å; L91-F323 HydrophobicContact CD2-CZ 4.17Å; L91-F323 HydrophobicContact CG-CE2 4.49Å; G92-F323 WeakPolarHBondContact O-CD2 3.23Å; G92-F323 PolarHBondContact O-N 2.99Å; K93-F323 HydrophobicContact CB-CB 4.39Å; K93-F323 HydrophobicContact CG-CB 4.4Å; N139-F323 HydrophobicContact CB-CD1 3.78Å; N139-F323 HydrophobicContact CB-CE1 4.06Å; P141-F323 HydrophobicContact CB-CE2 4.44Å; P141-F323 HydrophobicContact CG-CD2 3.74Å; P141-F323 HydrophobicContact CG-CE2 3.86Å; V144-F323 HydrophobicContact CG2-CE1 4.05Å; V144-F323 HydrophobicContact CG2-CZ 3.64Å; L302-F323 HydrophobicContact CD1-CE1 4.27Å; I321-F323 HydrophobicContact CB-CE2 4.47Å; I321-F323 HydrophobicContact CG2-CE2 4.06Å; I321-F323 HydrophobicContact CG2-CZ 3.98Å; F323-F338 WeakPolarHBondContact O-CE2 3.41Å
324L96.7Very high94.6Very high29 Ų2929.3 Ų29.315%0.15215%0.152CC..  trans-56142.4177.6-63.4-172.9000111.3V297 F299 L331 D334V297-L324 HydrophobicContact CG1-CD2 4.14Å; F299-L324 HydrophobicContact CB-CD1 3.9Å; F299-L324 HydrophobicContact CB-CD2 3.91Å; F299-L324 HydrophobicContact CB-CG 3.94Å; L324-L331 HydrophobicContact CD2-CD1 3.74Å; L324-D334 HydrophobicContact CD2-CB 4.11Å
325T95.1Very high94.5Very high14 Ų1429.3 Ų29.39%0.08615%0.152CC..SBendtrans-73.3-47.8177.9-57.80000110.8R94 F97 D334R94-T325 HydrophobicContact CG-CG2 3.75Å; R94-T325 WeakPolarHBondContact CG-OG1 3.37Å; R94-T325 PolarHBondContact NE-OG1 2.94Å; F97-T325 HydrophobicContact CD2-CG2 3.98Å; F97-T325 HydrophobicContact CE2-CG2 3.86Å; F97-T325 HydrophobicContact CZ-CG2 4.48Å; T325-D334 WeakPolarHBondContact CB-OD1 3.41Å; T325-D334 PolarHBondContact N-OD2 2.96Å; T325-D334 PolarHBondContact OG1-OD1 3.02Å
326D88.9Confident94.4Very high88 Ų8833.8 Ų33.847%0.47117%0.169SC..SBendtrans-119.9-88.1-177.7-67.9-45.3000111.7K138K138-D326 PolarHBondContact NZ-O 3.33Å
327G86.8Confident94.3Very high15 Ų1536.6 Ų36.616%0.15519%0.185CC..  trans-143.7-177.4-172.800000110.6E329 S330G327-E329 PolarHBondContact O-N 3.49Å; G327-S330 PolarHBondContact O-N 2.67Å; G327-S330 PolarHBondContact O-OG 2.9Å
328I85.9Confident94.3Very high74 Ų7436.2 Ų36.238%0.37918%0.182SC..G310 helixtrans-62.6-20.1-177.5-165.563.2000112.5F299 S330 L331F299-I328 HydrophobicContact CD2-CD1 3.71Å; F299-I328 HydrophobicContact CE2-CD1 4.37Å; I328-S330 VanDerWaalsContact C-N 3.29Å; I328-S330 PolarHBondContact O-N 3.21Å; I328-L331 HydrophobicContact CD1-CB 4.27Å; I328-L331 HydrophobicContact CD1-CD2 3.85Å; I328-L331 VanDerWaalsContact O-CB 3.26Å; I328-L331 WeakPolarHBondContact O-CB 3.5Å; I328-L331 PolarHBondContact O-N 3.49Å
329E87.3Confident94.3Very high162 Ų16240.6 Ų40.676%0.75720%0.198SC*.G310 helixtrans-62.7-34.7175-6174.3-160.900112.2G327 L331G327-E329 PolarHBondContact O-N 3.49Å; E329-L331 VanDerWaalsContact C-N 3.35Å
330S90.6Very high94.3Very high9 Ų940.5 Ų40.56%0.06320%0.196CC..G310 helixtrans-90.82.5-17876.60000113.5G327 I328 F332 D333 D334G327-S330 PolarHBondContact O-N 2.67Å; G327-S330 PolarHBondContact O-OG 2.9Å; I328-S330 VanDerWaalsContact C-N 3.29Å; I328-S330 PolarHBondContact O-N 3.21Å; S330-F332 PolarHBondContact O-N 3.17Å; S330-D333 PolarHBondContact O-N 3.25Å; S330-D334 PolarHBondContact O-N 3.15Å; S330-D334 PolarHBondContact OG-OD2 2.83Å
331L93.6Very high94.2Very high2 Ų238.4 Ų38.41%0.0119%0.19CC..Hα-helixtrans-51.9-48.4-171.7173.764.7000113.2F299 L324 I328 E329 D333 D334 L335 L349F299-L331 HydrophobicContact CB-CD1 3.81Å; F299-L331 HydrophobicContact CD1-CD1 4.13Å; F299-L331 HydrophobicContact CD2-CD1 4.37Å; F299-L331 HydrophobicContact CD2-CD2 4.23Å; F299-L331 HydrophobicContact CE2-CD2 4.41Å; F299-L331 HydrophobicContact CG-CD1 3.84Å; F299-L331 HydrophobicContact CG-CD2 4.47Å; L324-L331 HydrophobicContact CD2-CD1 3.74Å; I328-L331 HydrophobicContact CD1-CB 4.27Å; I328-L331 HydrophobicContact CD1-CD2 3.85Å; I328-L331 VanDerWaalsContact O-CB 3.26Å; I328-L331 WeakPolarHBondContact O-CB 3.5Å; I328-L331 PolarHBondContact O-N 3.49Å; E329-L331 VanDerWaalsContact C-N 3.35Å; L331-D333 VanDerWaalsContact C-N 3.26Å; L331-D333 PolarHBondContact O-N 3.2Å; L331-D334 PolarHBondContact O-N 3.47Å; L331-L335 HydrophobicContact CD1-CD1 3.92Å; L331-L335 HydrophobicContact CD1-CD2 4.25Å; L331-L335 HydrophobicContact CD1-CG 3.86Å; L331-L335 HydrophobicContact CD2-CD1 4.37Å; L331-L335 HydrophobicContact CG-CD1 3.79Å; L331-L335 HydrophobicContact CG-CG 4.17Å; L331-L335 WeakPolarHBondContact O-CB 3.41Å; L331-L335 WeakPolarHBondContact O-CG 3.32Å; L331-L335 PolarHBondContact O-N 3.49Å; L331-L349 HydrophobicContact CD2-CD1 3.96Å; L331-L349 HydrophobicContact CD2-CD2 3.6Å; L331-L349 HydrophobicContact CD2-CG 4.45Å
332F93.1Very high94Very high52 Ų5238.9 Ų38.923%0.22819%0.192CC..Hα-helixtrans-69-25.4-176.4-65.9-63.5000113.3S330 L335 R336 L349 V353 L404 L405S330-F332 PolarHBondContact O-N 3.17Å; F332-L335 HydrophobicContact CD1-CD1 4.14Å; F332-R336 WeakPolarHBondContact O-CG 3.43Å; F332-R336 PolarHBondContact O-N 2.76Å; F332-L349 HydrophobicContact CZ-CD1 4.16Å; F332-V353 HydrophobicContact CE1-CG2 3.96Å; F332-V353 HydrophobicContact CZ-CG2 3.96Å; F332-L404 HydrophobicContact CD1-CB 4.21Å; F332-L404 WeakPolarHBondContact CD1-O 3.41Å; F332-L405 HydrophobicContact CD1-CD2 4.36Å; F332-L405 HydrophobicContact CE1-CD2 4.08Å
333D94.7Very high93.9Very high65 Ų6539 Ų3935%0.34819%0.192SC..Hα-helixtrans-75.8-43.4174.4-57.9-43000109.7F97 S330 L331 L335 R336 D337F97-D333 HydrophobicContact CD1-CB 4.19Å; F97-D333 HydrophobicContact CE1-CB 3.31Å; F97-D333 HydrophobicContact CZ-CB 3.82Å; S330-D333 PolarHBondContact O-N 3.25Å; L331-D333 VanDerWaalsContact C-N 3.26Å; L331-D333 PolarHBondContact O-N 3.2Å; D333-L335 PolarHBondContact O-N 2.95Å; D333-R336 PolarHBondContact O-N 3.3Å; D333-R336 IonicContact OD1-CZ 3.69Å; D333-R336 IonicContact OD1-NH1 3.98Å; D333-R336 PolarHBondContact OD1-NH1 2.74Å; D333-R336 IonicContact OD1-NH2 2.84Å; D333-R336 PolarHBondContact OD1-NH2 2.86Å; D333-D337 PolarHBondContact O-N 2.78Å
334D97Very high93.7Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-59.9-44.3172-74.1-46.4000112.3R94 L324 T325 S330 L331 R336 D337 F338R94-D334 IonicContact CZ-OD1 4Å; R94-D334 IonicContact NE-OD1 2.94Å; R94-D334 IonicContact NH2-OD1 3.2Å; R94-D334 PolarHBondContact NH2-OD1 2.87Å; L324-D334 HydrophobicContact CD2-CB 4.11Å; T325-D334 WeakPolarHBondContact CB-OD1 3.41Å; T325-D334 PolarHBondContact N-OD2 2.96Å; T325-D334 PolarHBondContact OG1-OD1 3.02Å; S330-D334 PolarHBondContact O-N 3.15Å; S330-D334 PolarHBondContact OG-OD2 2.83Å; L331-D334 PolarHBondContact O-N 3.47Å; D334-R336 VanDerWaalsContact C-N 3.29Å; D334-R336 PolarHBondContact O-N 2.95Å; D334-D337 PolarHBondContact O-N 2.59Å; D334-D337 VanDerWaalsContact O-N 3.15Å; D334-F338 HydrophobicContact CB-CD2 4.14Å; D334-F338 HydrophobicContact CB-CE2 4.36Å; D334-F338 WeakPolarHBondContact O-CB 3.08Å; D334-F338 VanDerWaalsContact O-CD2 3.25Å; D334-F338 WeakPolarHBondContact O-CD2 3.25Å; D334-F338 PolarHBondContact O-N 2.88Å
335L96.4Very high93.6Very high0 Ų037.6 Ų37.60%019%0.185CC..Hα-helixtrans-60.7-37.4177.3-69.5172.2000112.3V297 L331 F332 D333 D337 K339 P340 F343 L405 G406V297-L335 HydrophobicContact CB-CD2 3.98Å; V297-L335 HydrophobicContact CG1-CD2 4.32Å; V297-L335 HydrophobicContact CG2-CD2 4.01Å; L331-L335 HydrophobicContact CD1-CD1 3.92Å; L331-L335 HydrophobicContact CD1-CD2 4.25Å; L331-L335 HydrophobicContact CD1-CG 3.86Å; L331-L335 HydrophobicContact CD2-CD1 4.37Å; L331-L335 HydrophobicContact CG-CD1 3.79Å; L331-L335 HydrophobicContact CG-CG 4.17Å; L331-L335 WeakPolarHBondContact O-CB 3.41Å; L331-L335 WeakPolarHBondContact O-CG 3.32Å; L331-L335 PolarHBondContact O-N 3.49Å; F332-L335 HydrophobicContact CD1-CD1 4.14Å; D333-L335 PolarHBondContact O-N 2.95Å; L335-D337 VanDerWaalsContact C-N 3.3Å; L335-D337 PolarHBondContact O-N 3.03Å; L335-K339 WeakPolarHBondContact O-CA 3.41Å; L335-K339 PolarHBondContact O-N 3.02Å; L335-P340 HydrophobicContact CD2-CG 3.73Å; L335-P340 VanDerWaalsContact O-CD 3.31Å; L335-P340 WeakPolarHBondContact O-CD 3.41Å; L335-F343 HydrophobicContact CD1-CE2 4.03Å; L335-F343 HydrophobicContact CD1-CZ 4.2Å; L335-F343 HydrophobicContact CD2-CD2 4.22Å; L335-F343 HydrophobicContact CD2-CE2 3.86Å; L335-L405 HydrophobicContact CD1-CD2 3.7Å; L335-G406 VanDerWaalsContact O-CA 3.28Å; L335-G406 WeakPolarHBondContact O-CA 3.47Å
336R94.8Very high93.3Very high95 Ų9537.9 Ų37.936%0.35819%0.187SC..Hα-helixtrans-64.4-34.6176.1-85-174.6-119.7116.55.7113F332 D333 D334 K339 E403F332-R336 WeakPolarHBondContact O-CG 3.43Å; F332-R336 PolarHBondContact O-N 2.76Å; D333-R336 PolarHBondContact O-N 3.3Å; D333-R336 IonicContact OD1-CZ 3.69Å; D333-R336 IonicContact OD1-NH1 3.98Å; D333-R336 PolarHBondContact OD1-NH1 2.74Å; D333-R336 IonicContact OD1-NH2 2.84Å; D333-R336 PolarHBondContact OD1-NH2 2.86Å; D334-R336 VanDerWaalsContact C-N 3.29Å; D334-R336 PolarHBondContact O-N 2.95Å; R336-K339 WeakPolarHBondContact O-CE 3.41Å; R336-K339 WeakPolarHBondContact O-CG 3.41Å; R336-E403 WeakPolarHBondContact CG-O 3.34Å
337D94.6Very high93.1Very high79 Ų7933.7 Ų33.742%0.42217%0.165SC..Hα-helixtrans-86-44-177.5-64.9-30.2000112.3R94 I101 D333 D334 L335 K339R94-D337 IonicContact CZ-OD2 2.75Å; R94-D337 IonicContact NH1-OD2 2.62Å; R94-D337 PolarHBondContact NH1-OD2 2.93Å; R94-D337 IonicContact NH2-OD2 3.82Å; R94-D337 PolarHBondContact NH2-OD2 3.09Å; I101-D337 HydrophobicContact CD1-CB 4.38Å; D333-D337 PolarHBondContact O-N 2.78Å; D334-D337 PolarHBondContact O-N 2.59Å; D334-D337 VanDerWaalsContact O-N 3.15Å; L335-D337 VanDerWaalsContact C-N 3.3Å; L335-D337 PolarHBondContact O-N 3.03Å; D337-K339 VanDerWaalsContact C-N 3.34Å
338F96.7Very high92.8Very high7 Ų736 Ų363%0.03117%0.169CC..Hα-helixtrans-74.8-22.6178.2-75.9-69.6000113.5I101 W103 S295 V297 F323 D334I101-F338 HydrophobicContact CD1-CD1 3.96Å; I101-F338 HydrophobicContact CD1-CE1 3.8Å; I101-F338 HydrophobicContact CD1-CG 4.46Å; I101-F338 HydrophobicContact CD1-CZ 4.15Å; I101-F338 HydrophobicContact CG1-CE1 4.32Å; I101-F338 HydrophobicContact CG1-CZ 4.37Å; I101-F338 HydrophobicContact CG2-CE1 3.65Å; I101-F338 HydrophobicContact CG2-CZ 4.06Å; W103-F338 AromaticContact CH2-CD1 3.73Å; W103-F338 HydrophobicContact CH2-CD1 3.73Å; W103-F338 AromaticContact CH2-CE1 3.79Å; W103-F338 HydrophobicContact CH2-CE1 3.79Å; W103-F338 AromaticContact CZ2-CD1 3.63Å; W103-F338 HydrophobicContact CZ2-CD1 3.63Å; W103-F338 AromaticContact CZ2-CE1 3.67Å; W103-F338 HydrophobicContact CZ2-CE1 3.67Å; S295-F338 PolarHBondContact OG-O 3.44Å; V297-F338 HydrophobicContact CG2-CB 3.48Å; V297-F338 VanDerWaalsContact CG2-CB 3.48Å; V297-F338 HydrophobicContact CG2-CD2 4.11Å; V297-F338 HydrophobicContact CG2-CG 3.97Å; F323-F338 WeakPolarHBondContact O-CE2 3.41Å; D334-F338 HydrophobicContact CB-CD2 4.14Å; D334-F338 HydrophobicContact CB-CE2 4.36Å; D334-F338 WeakPolarHBondContact O-CB 3.08Å; D334-F338 VanDerWaalsContact O-CD2 3.25Å; D334-F338 WeakPolarHBondContact O-CD2 3.25Å; D334-F338 PolarHBondContact O-N 2.88Å
339K96.8Very high92.7Very high103 Ų10333 Ų3345%0.44815%0.153SC..  trans45.662.8178-57.8-175.1177.9179.80113.1L335 R336 D337 R408L335-K339 WeakPolarHBondContact O-CA 3.41Å; L335-K339 PolarHBondContact O-N 3.02Å; R336-K339 WeakPolarHBondContact O-CE 3.41Å; R336-K339 WeakPolarHBondContact O-CG 3.41Å; D337-K339 VanDerWaalsContact C-N 3.34Å; K339-R408 HydrophobicContact CB-CG 4.08Å
340P97.8Very high92.8Very high0 Ų025.4 Ų25.40%012%0.118CC..  trans-61.4147.6-177.226.7-34.1000112.1S295 V297 L335 R408 V409S295-P340 CarbonylContact O-C 3.51Å; S295-P340 WeakPolarHBondContact O-CA 3.14Å; S295-P340 WeakPolarHBondContact O-CB 3.28Å; V297-P340 HydrophobicContact CG2-CB 4.28Å; V297-P340 HydrophobicContact CG2-CG 4.25Å; L335-P340 HydrophobicContact CD2-CG 3.73Å; L335-P340 VanDerWaalsContact O-CD 3.31Å; L335-P340 WeakPolarHBondContact O-CD 3.41Å; P340-R408 CarbonylContact O-C 3.53Å; P340-R408 WeakPolarHBondContact O-CB 3.49Å; P340-V409 HydrophobicContact CG-CG2 4.12Å; P340-V409 WeakPolarHBondContact O-CA 3.45Å; P340-V409 WeakPolarHBondContact O-CG2 3.22Å; P340-V409 PolarHBondContact O-N 2.74Å
341T96.6Very high92.5Very high13 Ų1326.1 Ų26.18%0.0812%0.122CC..SBendtrans-94.7-18.3173.452.10000112.1D293 L294 S295 R408 V409 T410D293-T341 WeakPolarHBondContact O-CG2 3.27Å; D293-T341 PolarHBondContact O-OG1 2.88Å; L294-T341 WeakPolarHBondContact CA-OG1 3.18Å; S295-T341 PolarHBondContact N-OG1 3.42Å; S295-T341 PolarHBondContact O-N 3.27Å; T341-R408 HydrophobicContact CG2-CB 4.24Å; T341-V409 CarbonylContact O-C 3.12Å; T341-V409 WeakPolarHBondContact O-CA 3.38Å; T341-T410 PolarHBondContact O-N 3.39Å; T341-T410 PolarHBondContact O-OG1 2.84Å; T341-T410 VanDerWaalsContact O-OG1 3.08Å
342F94.8Very high92Very high10 Ų1031.5 Ų31.54%0.04414%0.142CC..EExtended strand (participates in β ladder)trans-130.9145.4175.3173.1-103.3000109.9F289 L294 S295 T310 W313 C344 A411 I413F289-F342 HydrophobicContact CE1-CB 4.48Å; F289-F342 HydrophobicContact CZ-CB 3.94Å; F289-F342 HydrophobicContact CZ-CD2 4.23Å; F289-F342 HydrophobicContact CZ-CG 4.5Å; L294-F342 HydrophobicContact CD1-CB 3.9Å; S295-F342 PolarHBondContact O-N 2.75Å; T310-F342 HydrophobicContact CG2-CD1 4.39Å; T310-F342 HydrophobicContact CG2-CE1 3.89Å; W313-F342 HydrophobicContact CH2-CB 4.35Å; W313-F342 HydrophobicContact CH2-CD1 4.17Å; W313-F342 HydrophobicContact CH2-CD2 4.4Å; W313-F342 HydrophobicContact CH2-CG 4.04Å; W313-F342 HydrophobicContact CZ3-CB 4.46Å; W313-F342 AromaticContact CZ3-CD1 3.67Å; W313-F342 HydrophobicContact CZ3-CD1 3.67Å; W313-F342 HydrophobicContact CZ3-CE1 4.03Å; W313-F342 HydrophobicContact CZ3-CG 4.01Å; F342-C344 HydrophobicContact CE1-CB 3.75Å; F342-C344 HydrophobicContact CZ-CB 4.24Å; F342-A411 HydrophobicContact CD2-CB 4.27Å; F342-I413 HydrophobicContact CE2-CB 4.39Å; F342-I413 HydrophobicContact CE2-CD1 4.03Å; F342-I413 HydrophobicContact CE2-CG1 3.78Å; F342-I413 HydrophobicContact CZ-CB 3.91Å; F342-I413 HydrophobicContact CZ-CD1 3.56Å; F342-I413 HydrophobicContact CZ-CG1 3.58Å
343F95.5Very high91.7Very high1 Ų129.1 Ų29.10%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-132.1103.9179.1-169.2-125.9000112.3F299 L335 S345 L349 L405 V409 A411 I412 I413F299-F343 HydrophobicContact CD1-CE2 4.14Å; F299-F343 HydrophobicContact CE1-CD2 4.25Å; F299-F343 AromaticContact CE1-CE2 3.47Å; F299-F343 HydrophobicContact CE1-CE2 3.47Å; F299-F343 VanDerWaalsContact CE1-CE2 3.47Å; F299-F343 AromaticContact CE1-CZ 3.92Å; F299-F343 HydrophobicContact CE1-CZ 3.92Å; F299-F343 HydrophobicContact CZ-CE2 4.15Å; F299-F343 HydrophobicContact CZ-CZ 4.13Å; L335-F343 HydrophobicContact CD1-CE2 4.03Å; L335-F343 HydrophobicContact CD1-CZ 4.2Å; L335-F343 HydrophobicContact CD2-CD2 4.22Å; L335-F343 HydrophobicContact CD2-CE2 3.86Å; F343-S345 VanDerWaalsContact CE1-OG 3.23Å; F343-S345 WeakPolarHBondContact CE1-OG 3.46Å; F343-L349 HydrophobicContact CE1-CD2 4.21Å; F343-L349 HydrophobicContact CZ-CD2 3.65Å; F343-L405 HydrophobicContact CD1-CD1 4.2Å; F343-L405 HydrophobicContact CE1-CD1 4.36Å; F343-L405 HydrophobicContact CE1-CD2 4.07Å; F343-L405 HydrophobicContact CZ-CD2 4.21Å; F343-V409 HydrophobicContact CB-CG1 3.95Å; F343-V409 HydrophobicContact CB-CG2 4.06Å; F343-A411 PolarHBondContact N-O 2.85Å; F343-A411 VanDerWaalsContact N-O 3.1Å; F343-I412 HydrophobicContact CB-CG1 4.25Å; F343-I412 HydrophobicContact CD1-CD1 4.46Å; F343-I412 HydrophobicContact CD1-CG2 4.39Å; F343-I412 VanDerWaalsContact O-CA 3.28Å; F343-I412 WeakPolarHBondContact O-CA 3.48Å; F343-I412 WeakPolarHBondContact O-CG2 3.21Å; F343-I413 PolarHBondContact O-N 3.27Å
344C94.6Very high91.4Very high1 Ų127.1 Ų27.11%0.00712%0.119CC..EExtended strand (participates in β ladder)trans-80.5120.2169.5-161.70000109.3F299 L300 T310 F342F299-C344 WeakPolarHBondContact CE1-O 3.45Å; F299-C344 WeakPolarHBondContact CZ-O 3.25Å; L300-C344 HydrophobicContact CD1-CB 4.19Å; L300-C344 WeakPolarHBondContact CD1-O 3.31Å; T310-C344 HydrophobicContact CG2-CB 3.9Å; T310-C344 PolarHBondContact OG1-SG 2.98Å; F342-C344 HydrophobicContact CE1-CB 3.75Å; F342-C344 HydrophobicContact CZ-CB 4.24Å
345S93.2Very high90.8Very high0 Ų030.2 Ų30.20%014%0.135CC..EExtended strand (participates in β ladder)trans-137.9175.5-167.8-151.20000113M306 F343 I413 G415M306-S345 WeakPolarHBondContact CE-O 3.48Å; F343-S345 VanDerWaalsContact CE1-OG 3.23Å; F343-S345 WeakPolarHBondContact CE1-OG 3.46Å; S345-I413 WeakPolarHBondContact CA-O 3.47Å; S345-I413 PolarHBondContact N-O 3.43Å; S345-G415 PolarHBondContact O-N 2.79Å
346V88.5Confident90.2Very high19 Ų1933.1 Ų33.112%0.11516%0.155CC..  trans-128.5149.6176.3-650000110.1L300 M306 R348 L349 L350 S416L300-V346 HydrophobicContact CD2-CG1 3.88Å; M306-V346 HydrophobicContact CE-CG1 3.73Å; V346-R348 VanDerWaalsContact C-N 3.28Å; V346-R348 PolarHBondContact O-N 3.39Å; V346-R348 VanDerWaalsContact O-N 3.15Å; V346-L349 HydrophobicContact CG2-CB 4.14Å; V346-L349 PolarHBondContact O-N 2.95Å; V346-L350 PolarHBondContact O-N 3.41Å; V346-S416 WeakPolarHBondContact CG1-OG 3.32Å
347P85.1Confident89.9Confident1 Ų128.7 Ų28.71%0.00614%0.138CC..Hα-helixtrans-54.3-39.9-174.9-3237.9000114.1L349 L350 V351 G415 S417 P418 I419P347-L349 PolarHBondContact O-N 3Å; P347-L350 PolarHBondContact O-N 3.44Å; P347-L350 VanDerWaalsContact O-N 3.14Å; P347-V351 VanDerWaalsContact O-CG2 3.25Å; P347-V351 WeakPolarHBondContact O-CG2 3.34Å; P347-V351 PolarHBondContact O-N 2.85Å; P347-G415 VanDerWaalsContact CD-O 3.24Å; P347-G415 WeakPolarHBondContact CD-O 3.29Å; P347-S417 VanDerWaalsContact CG-O 3.23Å; P347-S417 WeakPolarHBondContact CG-O 3.43Å; P347-S417 VanDerWaalsContact CG-OG 3.3Å; P347-S417 WeakPolarHBondContact CG-OG 3.41Å; P347-P418 WeakPolarHBondContact CG-O 3.46Å; P347-I419 HydrophobicContact CB-CB 4.04Å; P347-I419 HydrophobicContact CB-CG1 4.23Å; P347-I419 HydrophobicContact CG-CB 4.01Å
348R81.3Confident89.4Confident63 Ų6325.9 Ų25.924%0.23813%0.125CC..Hα-helixtrans-59.5-35.4179.5-174.1179-85-167.3-11.3112.5V346 R352 L676 M680V346-R348 VanDerWaalsContact C-N 3.28Å; V346-R348 PolarHBondContact O-N 3.39Å; V346-R348 VanDerWaalsContact O-N 3.15Å; R348-R352 WeakPolarHBondContact O-CG 3.23Å; R348-R352 PolarHBondContact O-N 2.64Å; R348-L676 VanDerWaalsContact NH1-CD1 3.25Å; R348-M680 PolarHBondContact NE-O 3Å; R348-M680 VanDerWaalsContact NH1-CE 3.33Å; R348-M680 PolarHBondContact NH1-O 2.9Å; R348-M680 PolarHBondContact NH1-SD 2.92Å; R348-M680 VanDerWaalsContact NH1-SD 3.42Å; R348-M680 PolarHBondContact NH2-O 3.22Å; R348-M680 VanDerWaalsContact NH2-O 3.11Å
349L84.8Confident88.8Confident12 Ų1233.1 Ų33.16%0.06316%0.156CC..Hα-helixtrans-72.8-41.9177.2-179.258.9000111.3F299 L331 F332 F343 V346 P347 V351 R352 V353F299-L349 HydrophobicContact CE2-CD2 3.71Å; F299-L349 HydrophobicContact CZ-CD2 3.61Å; L331-L349 HydrophobicContact CD2-CD1 3.96Å; L331-L349 HydrophobicContact CD2-CD2 3.6Å; L331-L349 HydrophobicContact CD2-CG 4.45Å; F332-L349 HydrophobicContact CZ-CD1 4.16Å; F343-L349 HydrophobicContact CE1-CD2 4.21Å; F343-L349 HydrophobicContact CZ-CD2 3.65Å; V346-L349 HydrophobicContact CG2-CB 4.14Å; V346-L349 PolarHBondContact O-N 2.95Å; P347-L349 PolarHBondContact O-N 3Å; L349-V351 VanDerWaalsContact C-N 3.31Å; L349-V351 PolarHBondContact O-N 3.27Å; L349-R352 WeakPolarHBondContact O-CB 3.14Å; L349-R352 PolarHBondContact O-N 3.06Å; L349-V353 PolarHBondContact O-N 3.21Å; L349-V353 VanDerWaalsContact O-N 3.11Å
350L88.4Confident88.2Confident1 Ų133 Ų331%0.00516%0.156CC..Hα-helixtrans-63.1-37.7175.8-63177.3000111.9V346 P347 R352 V353 Y354 I419 V423 I427V346-L350 PolarHBondContact O-N 3.41Å; P347-L350 PolarHBondContact O-N 3.44Å; P347-L350 VanDerWaalsContact O-N 3.14Å; L350-R352 VanDerWaalsContact C-N 3.33Å; L350-R352 PolarHBondContact O-N 2.8Å; L350-V353 WeakPolarHBondContact O-CB 3.43Å; L350-V353 PolarHBondContact O-N 2.85Å; L350-Y354 PolarHBondContact O-N 3.09Å; L350-I419 HydrophobicContact CB-CD1 4.07Å; L350-I419 HydrophobicContact CD1-CD1 3.58Å; L350-I419 HydrophobicContact CG-CD1 4.48Å; L350-V423 HydrophobicContact CB-CG1 4.2Å; L350-I427 HydrophobicContact CB-CD1 4.4Å; L350-I427 HydrophobicContact CB-CG1 4.24Å; L350-I427 HydrophobicContact CD2-CD1 4.21Å; L350-I427 HydrophobicContact CD2-CG1 4.33Å; L350-I427 HydrophobicContact CD2-CG2 4.26Å
351V83.9Confident87.5Confident25 Ų2533.2 Ų33.215%0.15216%0.157CC..Hα-helixtrans-60.1-40.9170.5171.90000111P347 L349 V353 Y354 M355 V423P347-V351 VanDerWaalsContact O-CG2 3.25Å; P347-V351 WeakPolarHBondContact O-CG2 3.34Å; P347-V351 PolarHBondContact O-N 2.85Å; L349-V351 VanDerWaalsContact C-N 3.31Å; L349-V351 PolarHBondContact O-N 3.27Å; V351-V353 VanDerWaalsContact C-N 3.33Å; V351-V353 PolarHBondContact O-N 3.09Å; V351-Y354 WeakPolarHBondContact O-CB 3.44Å; V351-Y354 PolarHBondContact O-N 2.73Å; V351-M355 HydrophobicContact CG1-CE 4.29Å; V351-M355 HydrophobicContact CG1-CG 4.11Å; V351-M355 WeakPolarHBondContact O-CB 3.42Å; V351-M355 VanDerWaalsContact O-CG 3.26Å; V351-M355 WeakPolarHBondContact O-CG 3.4Å; V351-M355 PolarHBondContact O-N 3.3Å; V351-V423 HydrophobicContact CG2-CG1 4.19Å; V351-V423 HydrophobicContact CG2-CG2 4.05Å
352R83.2Confident86.5Confident115 Ų11538.8 Ų38.843%0.43418%0.182SC..Hα-helixtrans-62.4-39.3175.7-72.3177.9-179.8-174.80.3112.2R348 L349 L350 S356R348-R352 WeakPolarHBondContact O-CG 3.23Å; R348-R352 PolarHBondContact O-N 2.64Å; L349-R352 WeakPolarHBondContact O-CB 3.14Å; L349-R352 PolarHBondContact O-N 3.06Å; L350-R352 VanDerWaalsContact C-N 3.33Å; L350-R352 PolarHBondContact O-N 2.8Å; R352-S356 WeakPolarHBondContact O-CB 3.47Å; R352-S356 PolarHBondContact O-N 3.06Å; R352-S356 PolarHBondContact O-OG 3.37Å
353V87.2Confident85.8Confident2 Ų242.9 Ų42.91%0.01221%0.212CC..Hα-helixtrans-63.3-47.9174.1178.60000110.3F332 L349 L350 V351 M355 S356 F357 F426 I427F332-V353 HydrophobicContact CE1-CG2 3.96Å; F332-V353 HydrophobicContact CZ-CG2 3.96Å; L349-V353 PolarHBondContact O-N 3.21Å; L349-V353 VanDerWaalsContact O-N 3.11Å; L350-V353 WeakPolarHBondContact O-CB 3.43Å; L350-V353 PolarHBondContact O-N 2.85Å; V351-V353 VanDerWaalsContact C-N 3.33Å; V351-V353 PolarHBondContact O-N 3.09Å; V353-M355 PolarHBondContact O-N 2.95Å; V353-S356 WeakPolarHBondContact O-CB 3.42Å; V353-S356 PolarHBondContact O-N 3.16Å; V353-F357 PolarHBondContact O-N 2.82Å; V353-F357 VanDerWaalsContact O-N 3.13Å; V353-F426 HydrophobicContact CG1-CE1 4.49Å; V353-I427 HydrophobicContact CB-CD1 4.13Å; V353-I427 HydrophobicContact CG1-CD1 3.98Å
354Y88.8Confident85.5Confident22 Ų2247.9 Ų47.99%0.08623%0.234CC..Hα-helixtrans-56.1-48.9175.2174.3-91.2000112.7L350 V351 S356 F357 S358 V423 F426 F561L350-Y354 PolarHBondContact O-N 3.09Å; V351-Y354 WeakPolarHBondContact O-CB 3.44Å; V351-Y354 PolarHBondContact O-N 2.73Å; Y354-S356 VanDerWaalsContact C-N 3.3Å; Y354-S356 PolarHBondContact O-N 3.38Å; Y354-F357 WeakPolarHBondContact O-CB 3.13Å; Y354-F357 PolarHBondContact O-N 3.24Å; Y354-F357 VanDerWaalsContact O-N 3.17Å; Y354-S358 WeakPolarHBondContact O-CB 3.28Å; Y354-S358 PolarHBondContact O-N 3.25Å; Y354-V423 HydrophobicContact CD1-CG2 4.24Å; Y354-V423 HydrophobicContact CD2-CG2 4.32Å; Y354-V423 HydrophobicContact CG-CG2 4.03Å; Y354-F426 HydrophobicContact CD2-CB 3.59Å; Y354-F426 AromaticContact CD2-CD1 3.53Å; Y354-F426 HydrophobicContact CD2-CD1 3.53Å; Y354-F426 AromaticContact CD2-CD2 3.98Å; Y354-F426 HydrophobicContact CD2-CD2 3.98Å; Y354-F426 HydrophobicContact CD2-CE1 4.24Å; Y354-F426 AromaticContact CD2-CG 3.39Å; Y354-F426 HydrophobicContact CD2-CG 3.39Å; Y354-F426 HydrophobicContact CE2-CB 3.88Å; Y354-F426 HydrophobicContact CE2-CD2 4.25Å; Y354-F426 AromaticContact CE2-CG 3.96Å; Y354-F426 HydrophobicContact CE2-CG 3.96Å; Y354-F426 HydrophobicContact CG-CD1 4.23Å; Y354-F426 HydrophobicContact CG-CG 4.47Å; Y354-F561 HydrophobicContact CE1-CD1 4.28Å; Y354-F561 AromaticContact CE1-CE1 3.87Å; Y354-F561 HydrophobicContact CE1-CE1 3.87Å
355M84.1Confident85.1Confident65 Ų6552.1 Ų52.132%0.3226%0.261SS..Hα-helixtrans-66.1-33.4-178.9-69.5-61.1176.800112.2V351 V353 F357 K359 F561V351-M355 HydrophobicContact CG1-CE 4.29Å; V351-M355 HydrophobicContact CG1-CG 4.11Å; V351-M355 WeakPolarHBondContact O-CB 3.42Å; V351-M355 VanDerWaalsContact O-CG 3.26Å; V351-M355 WeakPolarHBondContact O-CG 3.4Å; V351-M355 PolarHBondContact O-N 3.3Å; V353-M355 PolarHBondContact O-N 2.95Å; M355-F357 VanDerWaalsContact C-N 3.34Å; M355-K359 VanDerWaalsContact O-CB 3.25Å; M355-K359 WeakPolarHBondContact O-CB 3.48Å; M355-K359 PolarHBondContact O-N 3.41Å; M355-F561 HydrophobicContact CE-CD1 4.43Å
356S84.2Confident85Confident62 Ų6258.2 Ų58.243%0.43429%0.292SS..Hα-helixtrans-64.4-40.2174.2-60.30000111.4R352 V353 Y354 K360R352-S356 WeakPolarHBondContact O-CB 3.47Å; R352-S356 PolarHBondContact O-N 3.06Å; R352-S356 PolarHBondContact O-OG 3.37Å; V353-S356 WeakPolarHBondContact O-CB 3.42Å; V353-S356 PolarHBondContact O-N 3.16Å; Y354-S356 VanDerWaalsContact C-N 3.3Å; Y354-S356 PolarHBondContact O-N 3.38Å; S356-K360 PolarHBondContact O-N 3.44Å
357F86.9Confident85.1Confident1 Ų159.5 Ų59.50%0.00430%0.298CS..Hα-helixtrans-67.1-51.6173.5179-85.5000112.5V353 Y354 M355 K359 K360 I361 W368 C371 F398 F401 F426 V430V353-F357 PolarHBondContact O-N 2.82Å; V353-F357 VanDerWaalsContact O-N 3.13Å; Y354-F357 WeakPolarHBondContact O-CB 3.13Å; Y354-F357 PolarHBondContact O-N 3.24Å; Y354-F357 VanDerWaalsContact O-N 3.17Å; M355-F357 VanDerWaalsContact C-N 3.34Å; F357-K359 VanDerWaalsContact C-N 3.31Å; F357-K359 PolarHBondContact O-N 3.34Å; F357-K360 WeakPolarHBondContact O-CB 3.37Å; F357-K360 PolarHBondContact O-N 2.91Å; F357-I361 HydrophobicContact CD1-CD1 4.01Å; F357-I361 HydrophobicContact CD2-CD1 3.74Å; F357-I361 HydrophobicContact CE1-CB 4.46Å; F357-I361 HydrophobicContact CE1-CD1 3.51Å; F357-I361 HydrophobicContact CE2-CD1 3.19Å; F357-I361 HydrophobicContact CG-CD1 4.12Å; F357-I361 HydrophobicContact CZ-CD1 3.07Å; F357-I361 HydrophobicContact CZ-CG1 4.44Å; F357-I361 PolarHBondContact O-N 2.98Å; F357-I361 VanDerWaalsContact O-N 3.13Å; F357-W368 AromaticContact CD1-CZ3 3.88Å; F357-W368 HydrophobicContact CD1-CZ3 3.88Å; F357-W368 HydrophobicContact CE1-CE3 4.12Å; F357-W368 AromaticContact CE1-CZ3 3.69Å; F357-W368 HydrophobicContact CE1-CZ3 3.69Å; F357-C371 HydrophobicContact CZ-CB 4.05Å; F357-F398 AromaticContact CE2-CD1 3.93Å; F357-F398 HydrophobicContact CE2-CD1 3.93Å; F357-F398 AromaticContact CE2-CE1 3.99Å; F357-F398 HydrophobicContact CE2-CE1 3.99Å; F357-F398 HydrophobicContact CZ-CD1 4.33Å; F357-F398 AromaticContact CZ-CE1 3.92Å; F357-F398 HydrophobicContact CZ-CE1 3.92Å; F357-F401 HydrophobicContact CB-CD1 3.98Å; F357-F401 HydrophobicContact CB-CE1 3.52Å; F357-F401 HydrophobicContact CB-CE2 4.32Å; F357-F401 HydrophobicContact CB-CZ 3.72Å; F357-F401 HydrophobicContact CD2-CD1 4.24Å; F357-F401 AromaticContact CD2-CD2 3.57Å; F357-F401 HydrophobicContact CD2-CD2 3.57Å; F357-F401 HydrophobicContact CD2-CE1 4.11Å; F357-F401 AromaticContact CD2-CE2 3.4Å; F357-F401 HydrophobicContact CD2-CE2 3.4Å; F357-F401 VanDerWaalsContact CD2-CE2 3.4Å; F357-F401 HydrophobicContact CD2-CG 4.01Å; F357-F401 AromaticContact CD2-CZ 3.71Å; F357-F401 HydrophobicContact CD2-CZ 3.71Å; F357-F401 HydrophobicContact CE2-CD2 4.23Å; F357-F401 HydrophobicContact CE2-CE2 4.16Å; F357-F401 HydrophobicContact CG-CE1 4.31Å; F357-F401 HydrophobicContact CG-CE2 4.26Å; F357-F401 HydrophobicContact CG-CZ 4.11Å; F357-F426 HydrophobicContact CB-CE1 4.24Å; F357-F426 HydrophobicContact CB-CE2 3.76Å; F357-F426 HydrophobicContact CB-CZ 3.31Å; F357-F426 HydrophobicContact CD1-CD2 4.1Å; F357-F426 AromaticContact CD1-CE2 3.18Å; F357-F426 HydrophobicContact CD1-CE2 3.18Å; F357-F426 AromaticContact CD1-CZ 3.75Å; F357-F426 HydrophobicContact CD1-CZ 3.75Å; F357-F426 AromaticContact CD2-CE2 3.62Å; F357-F426 HydrophobicContact CD2-CE2 3.62Å; F357-F426 AromaticContact CD2-CZ 3.64Å; F357-F426 HydrophobicContact CD2-CZ 3.64Å; F357-F426 HydrophobicContact CE1-CD2 4.27Å; F357-F426 AromaticContact CE1-CE2 3.52Å; F357-F426 HydrophobicContact CE1-CE2 3.52Å; F357-F426 HydrophobicContact CE1-CZ 4.42Å; F357-F426 AromaticContact CE2-CE2 3.93Å; F357-F426 HydrophobicContact CE2-CE2 3.93Å; F357-F426 HydrophobicContact CE2-CZ 4.34Å; F357-F426 HydrophobicContact CG-CD2 4.48Å; F357-F426 AromaticContact CG-CE2 3.24Å; F357-F426 HydrophobicContact CG-CE2 3.24Å; F357-F426 AromaticContact CG-CZ 3.3Å; F357-F426 HydrophobicContact CG-CZ 3.3Å; F357-F426 AromaticContact CZ-CE2 3.87Å; F357-F426 HydrophobicContact CZ-CE2 3.87Å; F357-V430 HydrophobicContact CE2-CG2 4.32Å
358S84.4Confident85.4Confident21 Ų2161.7 Ų61.715%0.14731%0.306CS..Hα-helixtrans-55-49.5-179.9-177.50000110.1Y354 K360 I361 H362Y354-S358 WeakPolarHBondContact O-CB 3.28Å; Y354-S358 PolarHBondContact O-N 3.25Å; S358-K360 PolarHBondContact O-N 2.9Å; S358-K360 VanDerWaalsContact O-N 3.12Å; S358-I361 PolarHBondContact O-N 3.26Å; S358-I361 VanDerWaalsContact O-N 3.12Å; S358-H362 WeakPolarHBondContact O-CB 3.44Å; S358-H362 PolarHBondContact O-N 3.46Å
359K84.3Confident85.8Confident158 Ų15865.9 Ų65.969%0.68733%0.326SS*.Hα-helixtrans-54.8-36.2176.9-176-176.8174.1-167.10113.7M355 F357M355-K359 VanDerWaalsContact O-CB 3.25Å; M355-K359 WeakPolarHBondContact O-CB 3.48Å; M355-K359 PolarHBondContact O-N 3.41Å; F357-K359 VanDerWaalsContact C-N 3.31Å; F357-K359 PolarHBondContact O-N 3.34Å
360K84.2Confident86.2Confident101 Ų10168.9 Ų68.944%0.43934%0.341SS..Hα-helixtrans-74.7-35.1-178.6-170.5173.1-172.7174.30112.7S356 F357 S358 E400 F401S356-K360 PolarHBondContact O-N 3.44Å; F357-K360 WeakPolarHBondContact O-CB 3.37Å; F357-K360 PolarHBondContact O-N 2.91Å; S358-K360 PolarHBondContact O-N 2.9Å; S358-K360 VanDerWaalsContact O-N 3.12Å; K360-E400 IonicContact NZ-OE1 3.27Å; K360-E400 PolarHBondContact NZ-OE1 3.21Å; K360-E400 IonicContact NZ-OE2 3.02Å; K360-E400 PolarHBondContact NZ-OE2 2.96Å; K360-F401 HydrophobicContact CD-CE2 4.42Å; K360-F401 HydrophobicContact CD-CZ 4.22Å
361I83.9Confident86.4Confident4 Ų468.9 Ų68.92%0.02134%0.342CS..Hα-helixtrans-107.5-19.7-169.8-67.4163000112.9F357 S358 S363 K364 I367 W368 F397F357-I361 HydrophobicContact CD1-CD1 4.01Å; F357-I361 HydrophobicContact CD2-CD1 3.74Å; F357-I361 HydrophobicContact CE1-CB 4.46Å; F357-I361 HydrophobicContact CE1-CD1 3.51Å; F357-I361 HydrophobicContact CE2-CD1 3.19Å; F357-I361 HydrophobicContact CG-CD1 4.12Å; F357-I361 HydrophobicContact CZ-CD1 3.07Å; F357-I361 HydrophobicContact CZ-CG1 4.44Å; F357-I361 PolarHBondContact O-N 2.98Å; F357-I361 VanDerWaalsContact O-N 3.13Å; S358-I361 PolarHBondContact O-N 3.26Å; S358-I361 VanDerWaalsContact O-N 3.12Å; I361-S363 PolarHBondContact O-N 3.13Å; I361-S363 VanDerWaalsContact O-N 3.14Å; I361-K364 CarbonylContact O-C 3.57Å; I361-K364 WeakPolarHBondContact O-CA 3.43Å; I361-K364 WeakPolarHBondContact O-CB 3.35Å; I361-K364 PolarHBondContact O-N 3.15Å; I361-I367 HydrophobicContact CG2-CB 4.39Å; I361-I367 HydrophobicContact CG2-CG2 3.87Å; I361-W368 HydrophobicContact CB-CE3 4.33Å; I361-W368 HydrophobicContact CG2-CB 3.92Å; I361-W368 HydrophobicContact CG2-CE3 3.94Å; I361-F397 HydrophobicContact CD1-CD1 4.32Å
362H75Confident86.8Confident131 Ų13171.7 Ų71.761%0.60635%0.353SS*.THydrogen-bonded Turntrans-60.4-28.3-177.7-164.686.4000113.2S358 K364S358-H362 WeakPolarHBondContact O-CB 3.44Å; S358-H362 PolarHBondContact O-N 3.46Å; H362-K364 PolarHBondContact O-N 2.78Å
363S80.9Confident87.3Confident95 Ų9574.1 Ų74.166%0.66436%0.363SS*.THydrogen-bonded Turntrans-69.7-5171.855.80000114.2I361I361-S363 PolarHBondContact O-N 3.13Å; I361-S363 VanDerWaalsContact O-N 3.14Å
364K88Confident87.6Confident107 Ų10775.2 Ų75.247%0.46537%0.368SS..  trans-128.875.3-174.2-63.2170.8171-169.50109.8I361 H362 I366 I367 W368I361-K364 CarbonylContact O-C 3.57Å; I361-K364 WeakPolarHBondContact O-CA 3.43Å; I361-K364 WeakPolarHBondContact O-CB 3.35Å; I361-K364 PolarHBondContact O-N 3.15Å; H362-K364 PolarHBondContact O-N 2.78Å; K364-I366 VanDerWaalsContact C-N 3.31Å; K364-I366 PolarHBondContact O-N 2.82Å; K364-I367 HydrophobicContact CB-CB 3.9Å; K364-I367 HydrophobicContact CB-CD1 3.96Å; K364-I367 HydrophobicContact CB-CG1 4.29Å; K364-I367 HydrophobicContact CD-CD1 3.72Å; K364-I367 HydrophobicContact CG-CD1 4.25Å; K364-I367 PolarHBondContact O-N 3.18Å; K364-W368 PolarHBondContact O-N 3.33Å
365P87.1Confident87.8Confident89 Ų8974.8 Ų74.858%0.57837%0.367SS*.Hα-helixtrans-60.3-33.8-16921.8-33.8000114.5W368 K369P365-W368 PolarHBondContact O-N 3.26Å; P365-K369 WeakPolarHBondContact O-CG 3.37Å; P365-K369 PolarHBondContact O-N 3.21Å
366I91.7Very high88.3Confident128 Ų12876.3 Ų76.366%0.65638%0.377SS*.Hα-helixtrans-66.5-45.4175-63.1172.2000110.3K364 W368 K369 I370K364-I366 VanDerWaalsContact C-N 3.31Å; K364-I366 PolarHBondContact O-N 2.82Å; I366-W368 VanDerWaalsContact C-N 3.32Å; I366-W368 PolarHBondContact O-N 3.1Å; I366-K369 PolarHBondContact O-N 3.32Å; I366-I370 HydrophobicContact CG2-CD1 3.91Å; I366-I370 VanDerWaalsContact O-CG1 3.3Å; I366-I370 WeakPolarHBondContact O-CG1 3.21Å; I366-I370 PolarHBondContact O-N 2.75Å
367I90.7Very high88.7Confident46 Ų4677.5 Ų77.524%0.23637%0.374CS..Hα-helixtrans-65.6-38.7178.3-67.9167.9000110.4I361 K364 I370 C371 F397I361-I367 HydrophobicContact CG2-CB 4.39Å; I361-I367 HydrophobicContact CG2-CG2 3.87Å; K364-I367 HydrophobicContact CB-CB 3.9Å; K364-I367 HydrophobicContact CB-CD1 3.96Å; K364-I367 HydrophobicContact CB-CG1 4.29Å; K364-I367 HydrophobicContact CD-CD1 3.72Å; K364-I367 HydrophobicContact CG-CD1 4.25Å; K364-I367 PolarHBondContact O-N 3.18Å; I367-I370 PolarHBondContact O-N 2.79Å; I367-C371 WeakPolarHBondContact O-CB 3.14Å; I367-C371 PolarHBondContact O-N 2.97Å; I367-C371 PolarHBondContact O-SG 3.09Å; I367-F397 HydrophobicContact CD1-CZ 4.16Å; I367-F397 HydrophobicContact CG1-CZ 4.37Å; I367-F397 HydrophobicContact CG2-CD1 4.31Å; I367-F397 HydrophobicContact CG2-CD2 4.44Å; I367-F397 HydrophobicContact CG2-CE1 3.73Å; I367-F397 HydrophobicContact CG2-CE2 3.87Å; I367-F397 HydrophobicContact CG2-CZ 3.47Å; I367-F397 VanDerWaalsContact CG2-CZ 3.47Å
368W89.5Confident88.9Confident47 Ų4777.5 Ų77.518%0.17837%0.374CS..Hα-helixtrans-56.5-51.5172.8178.4-102.1000111.7F357 I361 K364 P365 I366 I370 C371 Q372F357-W368 AromaticContact CD1-CZ3 3.88Å; F357-W368 HydrophobicContact CD1-CZ3 3.88Å; F357-W368 HydrophobicContact CE1-CE3 4.12Å; F357-W368 AromaticContact CE1-CZ3 3.69Å; F357-W368 HydrophobicContact CE1-CZ3 3.69Å; I361-W368 HydrophobicContact CB-CE3 4.33Å; I361-W368 HydrophobicContact CG2-CB 3.92Å; I361-W368 HydrophobicContact CG2-CE3 3.94Å; K364-W368 PolarHBondContact O-N 3.33Å; P365-W368 PolarHBondContact O-N 3.26Å; I366-W368 VanDerWaalsContact C-N 3.32Å; I366-W368 PolarHBondContact O-N 3.1Å; W368-I370 VanDerWaalsContact C-N 3.32Å; W368-I370 PolarHBondContact O-N 3.09Å; W368-C371 PolarHBondContact O-N 3.48Å; W368-Q372 VanDerWaalsContact CD1-OE1 3.24Å; W368-Q372 HydrophobicContact CD2-CG 4.44Å; W368-Q372 HydrophobicContact CZ2-CG 4.31Å; W368-Q372 VanDerWaalsContact NE1-NE2 3.19Å; W368-Q372 VanDerWaalsContact NE1-OE1 3.09Å; W368-Q372 WeakPolarHBondContact O-CG 3.43Å; W368-Q372 PolarHBondContact O-N 3.22Å
369K91.1Very high89.3Confident151 Ų15177 Ų7766%0.65737%0.37SS*.Hα-helixtrans-59.6-41177.2-74.2-177.2178.3-175.90112.5P365 I366 Q372 Y373P365-K369 WeakPolarHBondContact O-CG 3.37Å; P365-K369 PolarHBondContact O-N 3.21Å; I366-K369 PolarHBondContact O-N 3.32Å; K369-Q372 PolarHBondContact O-N 3.3Å; K369-Y373 PolarHBondContact O-N 3.13Å
370I92.9Very high89.6Confident76 Ų7673.9 Ų73.939%0.3936%0.358SS..Hα-helixtrans-64.7-42.9176.7-66.6166.5000111I366 I367 W368 Y373 E374 I393I366-I370 HydrophobicContact CG2-CD1 3.91Å; I366-I370 VanDerWaalsContact O-CG1 3.3Å; I366-I370 WeakPolarHBondContact O-CG1 3.21Å; I366-I370 PolarHBondContact O-N 2.75Å; I367-I370 PolarHBondContact O-N 2.79Å; W368-I370 VanDerWaalsContact C-N 3.32Å; W368-I370 PolarHBondContact O-N 3.09Å; I370-Y373 PolarHBondContact O-N 3.14Å; I370-E374 PolarHBondContact O-N 3.41Å; I370-I393 HydrophobicContact CG2-CD1 3.33Å; I370-I393 HydrophobicContact CG2-CG1 3.81Å
371C93.1Very high89.9Confident1 Ų170.2 Ų70.21%0.00734%0.342CS..Hα-helixtrans-63.3-42.1175.9-68.50000111.6F357 I367 W368 E374 I375 F398F357-C371 HydrophobicContact CZ-CB 4.05Å; I367-C371 WeakPolarHBondContact O-CB 3.14Å; I367-C371 PolarHBondContact O-N 2.97Å; I367-C371 PolarHBondContact O-SG 3.09Å; W368-C371 PolarHBondContact O-N 3.48Å; C371-E374 PolarHBondContact O-N 3.25Å; C371-I375 WeakPolarHBondContact O-CB 3.34Å; C371-I375 WeakPolarHBondContact O-CD1 3.28Å; C371-I375 VanDerWaalsContact O-CG1 3.28Å; C371-I375 WeakPolarHBondContact O-CG1 3.23Å; C371-I375 PolarHBondContact O-N 3.11Å; C371-F398 HydrophobicContact CB-CE1 4.01Å; C371-F398 HydrophobicContact CB-CZ 4.21Å
372Q91.6Very high90.2Very high84 Ų8470 Ų7039%0.39334%0.341SS..Hα-helixtrans-61.8-42.9175.9-72.5-177.7-56.900111.8W368 K369 I375 N376W368-Q372 VanDerWaalsContact CD1-OE1 3.24Å; W368-Q372 HydrophobicContact CD2-CG 4.44Å; W368-Q372 HydrophobicContact CZ2-CG 4.31Å; W368-Q372 VanDerWaalsContact NE1-NE2 3.19Å; W368-Q372 VanDerWaalsContact NE1-OE1 3.09Å; W368-Q372 WeakPolarHBondContact O-CG 3.43Å; W368-Q372 PolarHBondContact O-N 3.22Å; K369-Q372 PolarHBondContact O-N 3.3Å; Q372-I375 PolarHBondContact O-N 3.48Å; Q372-N376 PolarHBondContact O-N 3.38Å; Q372-N376 PolarHBondContact O-ND2 3.38Å
373Y93.4Very high90.7Very high166 Ų16667.8 Ų67.865%0.65133%0.33SS*.Hα-helixtrans-59.7-47.8175176.5-94.7000111.8K369 I370 I375 N376 K377K369-Y373 PolarHBondContact O-N 3.13Å; I370-Y373 PolarHBondContact O-N 3.14Å; Y373-I375 PolarHBondContact O-N 3.24Å; Y373-N376 PolarHBondContact O-N 3.09Å; Y373-K377 WeakPolarHBondContact O-CB 3.27Å; Y373-K377 PolarHBondContact O-N 2.96Å
374E93.7Very high90.9Very high24 Ų2469.1 Ų69.111%0.11233%0.325CS..Hα-helixtrans-64.6-38.9178.3-178.364.9-161.200112.2I370 C371 K377 R378 I393 F398I370-E374 PolarHBondContact O-N 3.41Å; C371-E374 PolarHBondContact O-N 3.25Å; E374-K377 PolarHBondContact O-N 2.98Å; E374-R378 VanDerWaalsContact O-CG 3.31Å; E374-R378 WeakPolarHBondContact O-CG 3.25Å; E374-R378 PolarHBondContact O-N 2.86Å; E374-R378 IonicContact OE1-CZ 3.27Å; E374-R378 IonicContact OE1-NE 2.72Å; E374-R378 PolarHBondContact OE1-NE 3.41Å; E374-R378 IonicContact OE1-NH2 2.95Å; E374-I393 HydrophobicContact CB-CB 4.4Å; E374-I393 HydrophobicContact CB-CG2 4.07Å; E374-I393 HydrophobicContact CG-CB 4.12Å; E374-I393 HydrophobicContact CG-CG2 4.06Å; E374-F398 HydrophobicContact CB-CE2 4.18Å; E374-F398 HydrophobicContact CB-CZ 4.26Å; E374-F398 HydrophobicContact CG-CE2 3.62Å; E374-F398 HydrophobicContact CG-CZ 4.19Å
375I93.9Very high90.8Very high13 Ų1364.1 Ų64.17%0.06730%0.304CS..Hα-helixtrans-60.6-49.8174.5-75162.4000110.7C371 Q372 Y373 K377 R378 I379 F398 F426 V430C371-I375 WeakPolarHBondContact O-CB 3.34Å; C371-I375 WeakPolarHBondContact O-CD1 3.28Å; C371-I375 VanDerWaalsContact O-CG1 3.28Å; C371-I375 WeakPolarHBondContact O-CG1 3.23Å; C371-I375 PolarHBondContact O-N 3.11Å; Q372-I375 PolarHBondContact O-N 3.48Å; Y373-I375 PolarHBondContact O-N 3.24Å; I375-K377 VanDerWaalsContact C-N 3.32Å; I375-K377 PolarHBondContact O-N 2.97Å; I375-R378 PolarHBondContact O-N 3.37Å; I375-R378 VanDerWaalsContact O-N 3.14Å; I375-I379 HydrophobicContact CG2-CD1 3.69Å; I375-I379 HydrophobicContact CG2-CG1 4.44Å; I375-I379 WeakPolarHBondContact O-CG1 3.47Å; I375-I379 PolarHBondContact O-N 3.41Å; I375-F398 HydrophobicContact CD1-CE1 4.47Å; I375-F398 HydrophobicContact CD1-CZ 4.21Å; I375-F398 HydrophobicContact CG1-CE1 4.48Å; I375-F398 HydrophobicContact CG1-CE2 4.31Å; I375-F398 HydrophobicContact CG1-CZ 3.79Å; I375-F426 HydrophobicContact CD1-CD2 3.88Å; I375-F426 HydrophobicContact CD1-CE2 4.45Å; I375-V430 HydrophobicContact CD1-CG2 3.98Å; I375-V430 HydrophobicContact CG1-CG2 4.26Å
376N92.9Very high90.8Very high97 Ų9762.4 Ų62.452%0.51929%0.289SS..Hα-helixtrans-61.6-41.2-179.9-72.3-20.7000111.9Q372 Y373 R378 I379 E380Q372-N376 PolarHBondContact O-N 3.38Å; Q372-N376 PolarHBondContact O-ND2 3.38Å; Y373-N376 PolarHBondContact O-N 3.09Å; N376-R378 VanDerWaalsContact C-N 3.33Å; N376-R378 PolarHBondContact O-N 3.44Å; N376-I379 PolarHBondContact O-N 3.42Å; N376-E380 PolarHBondContact O-N 2.95Å; N376-E380 VanDerWaalsContact O-N 3.12Å
377K93Very high90.7Very high88 Ų8856.3 Ų56.338%0.38326%0.258SS..Hα-helixtrans-58.7-45174.1-178.6-175.5174.7-171.40111.6Y373 E374 I375 E380 E381Y373-K377 WeakPolarHBondContact O-CB 3.27Å; Y373-K377 PolarHBondContact O-N 2.96Å; E374-K377 PolarHBondContact O-N 2.98Å; I375-K377 VanDerWaalsContact C-N 3.32Å; I375-K377 PolarHBondContact O-N 2.97Å; K377-E380 PolarHBondContact O-N 3.46Å; K377-E381 VanDerWaalsContact CE-OE1 3.3Å; K377-E381 WeakPolarHBondContact CE-OE1 3.17Å; K377-E381 WeakPolarHBondContact O-CG 2.86Å; K377-E381 PolarHBondContact O-N 2.88Å; K377-E381 VanDerWaalsContact O-N 3.12Å
378R92.8Very high90.6Very high1 Ų156.6 Ų56.60%0.00426%0.256CS..Hα-helixtrans-65.5-40177.6-72.4173.1-179.7-144-10.7112.5E374 I375 N376 E380 E381 Q382 R388 N390 D394 G429E374-R378 VanDerWaalsContact O-CG 3.31Å; E374-R378 WeakPolarHBondContact O-CG 3.25Å; E374-R378 PolarHBondContact O-N 2.86Å; E374-R378 IonicContact OE1-CZ 3.27Å; E374-R378 IonicContact OE1-NE 2.72Å; E374-R378 PolarHBondContact OE1-NE 3.41Å; E374-R378 IonicContact OE1-NH2 2.95Å; I375-R378 PolarHBondContact O-N 3.37Å; I375-R378 VanDerWaalsContact O-N 3.14Å; N376-R378 VanDerWaalsContact C-N 3.33Å; N376-R378 PolarHBondContact O-N 3.44Å; R378-E380 VanDerWaalsContact C-N 3.27Å; R378-E380 PolarHBondContact O-N 2.81Å; R378-E381 WeakPolarHBondContact O-CB 3.22Å; R378-E381 PolarHBondContact O-N 3.08Å; R378-E381 VanDerWaalsContact O-N 3.15Å; R378-Q382 WeakPolarHBondContact O-CG 3.39Å; R378-Q382 PolarHBondContact O-N 2.96Å; R378-R388 PolarHBondContact NH1-O 3.07Å; R378-N390 PolarHBondContact NH2-O 2.99Å; R378-N390 VanDerWaalsContact NH2-O 3.14Å; R378-D394 IonicContact CZ-OD1 2.96Å; R378-D394 VanDerWaalsContact CZ-OD1 3.29Å; R378-D394 IonicContact NH1-OD1 3.65Å; R378-D394 PolarHBondContact NH1-OD1 2.99Å; R378-D394 VanDerWaalsContact NH2-CG 3.32Å; R378-D394 IonicContact NH2-OD1 3.87Å; R378-D394 PolarHBondContact NH2-OD1 3.36Å; R378-G429 WeakPolarHBondContact CD-O 3.48Å; R378-G429 PolarHBondContact NH1-O 2.98Å
379I91.4Very high90.5Very high10 Ų1055.9 Ų55.95%0.05125%0.253CS..Hα-helixtrans-60.7-40.3176.8-67.8162.4000110.7I375 N376 E381 Q382 K383 F425 V456I375-I379 HydrophobicContact CG2-CD1 3.69Å; I375-I379 HydrophobicContact CG2-CG1 4.44Å; I375-I379 WeakPolarHBondContact O-CG1 3.47Å; I375-I379 PolarHBondContact O-N 3.41Å; N376-I379 PolarHBondContact O-N 3.42Å; I379-E381 VanDerWaalsContact C-N 3.34Å; I379-E381 PolarHBondContact O-N 2.8Å; I379-Q382 WeakPolarHBondContact O-CB 3.49Å; I379-Q382 PolarHBondContact O-N 2.9Å; I379-K383 PolarHBondContact O-N 3.44Å; I379-F425 HydrophobicContact CD1-CB 3.5Å; I379-F425 HydrophobicContact CD1-CD1 4.4Å; I379-F425 HydrophobicContact CD1-CD2 3.62Å; I379-F425 HydrophobicContact CD1-CE2 4.37Å; I379-F425 HydrophobicContact CD1-CG 3.61Å; I379-V456 HydrophobicContact CG2-CB 4.38Å; I379-V456 HydrophobicContact CG2-CG2 4.19Å
380E90.6Very high90.2Very high93 Ų9350.3 Ų50.344%0.43523%0.231SC..Hα-helixtrans-65.7-36.4175.8-167.657.9-144.500112.6N376 K377 R378 Q382 K383 H384N376-E380 PolarHBondContact O-N 2.95Å; N376-E380 VanDerWaalsContact O-N 3.12Å; K377-E380 PolarHBondContact O-N 3.46Å; R378-E380 VanDerWaalsContact C-N 3.27Å; R378-E380 PolarHBondContact O-N 2.81Å; E380-Q382 VanDerWaalsContact C-N 3.32Å; E380-K383 WeakPolarHBondContact O-CB 3.33Å; E380-K383 PolarHBondContact O-N 3.1Å; E380-K383 IonicContact OE1-NZ 3.79Å; E380-K383 WeakPolarHBondContact OE2-CE 3.3Å; E380-K383 IonicContact OE2-NZ 3.43Å; E380-K383 PolarHBondContact OE2-NZ 3.25Å; E380-H384 PolarHBondContact O-ND1 2.86Å
381E90.3Very high89.8Confident24 Ų2447.3 Ų47.311%0.11222%0.219CC..Hα-helixtrans-65.9-36172.4-68.8164.9-177.200112K377 R378 I379 K383 H384 G385 I386 R388K377-E381 VanDerWaalsContact CE-OE1 3.3Å; K377-E381 WeakPolarHBondContact CE-OE1 3.17Å; K377-E381 WeakPolarHBondContact O-CG 2.86Å; K377-E381 PolarHBondContact O-N 2.88Å; K377-E381 VanDerWaalsContact O-N 3.12Å; R378-E381 WeakPolarHBondContact O-CB 3.22Å; R378-E381 PolarHBondContact O-N 3.08Å; R378-E381 VanDerWaalsContact O-N 3.15Å; I379-E381 VanDerWaalsContact C-N 3.34Å; I379-E381 PolarHBondContact O-N 2.8Å; E381-K383 VanDerWaalsContact C-N 3.32Å; E381-K383 PolarHBondContact O-N 2.67Å; E381-H384 CarbonylContact O-C 3.59Å; E381-H384 WeakPolarHBondContact O-CA 3.37Å; E381-H384 WeakPolarHBondContact O-CB 3.36Å; E381-H384 PolarHBondContact O-N 2.91Å; E381-G385 PolarHBondContact O-N 3.1Å; E381-I386 CarbonylContact C-O 3.47Å; E381-I386 HydrophobicContact CB-CB 4.07Å; E381-I386 HydrophobicContact CB-CG2 4.09Å; E381-I386 WeakPolarHBondContact O-CB 3.45Å; E381-I386 PolarHBondContact O-N 3.33Å; E381-I386 VanDerWaalsContact O-N 3.08Å; E381-R388 IonicContact OE1-CZ 2.7Å; E381-R388 IonicContact OE1-NH1 2.58Å; E381-R388 PolarHBondContact OE1-NH1 2.9Å; E381-R388 IonicContact OE1-NH2 3.37Å; E381-R388 PolarHBondContact OE1-NH2 2.85Å; E381-R388 IonicContact OE2-CZ 3.32Å; E381-R388 IonicContact OE2-NE 3.62Å; E381-R388 IonicContact OE2-NH1 3.7Å; E381-R388 PolarHBondContact OE2-NH1 2.79Å; E381-R388 IonicContact OE2-NH2 2.7Å; E381-R388 PolarHBondContact OE2-NH2 3.12Å; E381-R388 VanDerWaalsContact OE2-NH2 3.14Å
382Q90.4Very high89.5Confident0 Ų050.5 Ų50.50%024%0.235CC..Hα-helixtrans-68.4-28.4-179.8-70.4174.216.900113R378 I379 E380 H384 G385 I386 Y387 R428 V456R378-Q382 WeakPolarHBondContact O-CG 3.39Å; R378-Q382 PolarHBondContact O-N 2.96Å; I379-Q382 WeakPolarHBondContact O-CB 3.49Å; I379-Q382 PolarHBondContact O-N 2.9Å; E380-Q382 VanDerWaalsContact C-N 3.32Å; Q382-H384 PolarHBondContact O-N 3.44Å; Q382-H384 VanDerWaalsContact O-N 3.1Å; Q382-G385 PolarHBondContact O-N 2.94Å; Q382-I386 WeakPolarHBondContact CG-O 3.09Å; Q382-I386 PolarHBondContact N-O 3.07Å; Q382-Y387 HydrophobicContact CB-CE1 3.96Å; Q382-Y387 HydrophobicContact CG-CD1 3.49Å; Q382-Y387 VanDerWaalsContact CG-CD1 3.49Å; Q382-Y387 HydrophobicContact CG-CE1 3.33Å; Q382-Y387 HydrophobicContact CG-CE2 4.49Å; Q382-Y387 HydrophobicContact CG-CG 4.15Å; Q382-R428 PolarHBondContact NE2-O 3.36Å; Q382-V456 HydrophobicContact CB-CG1 3.71Å
383K86.4Confident89.4Confident84 Ų8448 Ų4837%0.36522%0.224SC..THydrogen-bonded Turntrans-55.5-25.3167.4-66.7-179.7-178.8167.70113I379 E380 E381 V456I379-K383 PolarHBondContact O-N 3.44Å; E380-K383 WeakPolarHBondContact O-CB 3.33Å; E380-K383 PolarHBondContact O-N 3.1Å; E380-K383 IonicContact OE1-NZ 3.79Å; E380-K383 WeakPolarHBondContact OE2-CE 3.3Å; E380-K383 IonicContact OE2-NZ 3.43Å; E380-K383 PolarHBondContact OE2-NZ 3.25Å; E381-K383 VanDerWaalsContact C-N 3.32Å; E381-K383 PolarHBondContact O-N 2.67Å; K383-V456 HydrophobicContact CB-CG2 4.47Å; K383-V456 HydrophobicContact CD-CG2 4.11Å; K383-V456 HydrophobicContact CG-CG1 4.49Å; K383-V456 HydrophobicContact CG-CG2 3.28Å
384H85.1Confident89.3Confident122 Ų12240.1 Ų40.157%0.56519%0.193SC*.THydrogen-bonded Turntrans-103.214.2179.4-56.894.3000112.3E380 E381 Q382 I386E380-H384 PolarHBondContact O-ND1 2.86Å; E381-H384 CarbonylContact O-C 3.59Å; E381-H384 WeakPolarHBondContact O-CA 3.37Å; E381-H384 WeakPolarHBondContact O-CB 3.36Å; E381-H384 PolarHBondContact O-N 2.91Å; Q382-H384 PolarHBondContact O-N 3.44Å; Q382-H384 VanDerWaalsContact O-N 3.1Å; H384-I386 VanDerWaalsContact C-N 3.29Å; H384-I386 HydrophobicContact CB-CD1 4.4Å; H384-I386 PolarHBondContact O-N 2.97Å
385G84.6Confident89Confident2 Ų241.7 Ų41.72%0.02120%0.2CC..THydrogen-bonded Turntrans72.617.5-179.800000114.2R36 V37 E381 Q382R36-G385 WeakPolarHBondContact CA-O 3.4Å; V37-G385 PolarHBondContact N-O 3.1Å; E381-G385 PolarHBondContact O-N 3.1Å; Q382-G385 PolarHBondContact O-N 2.94Å
386I87.8Confident88.7Confident53 Ų5345.4 Ų45.427%0.27222%0.219SC..EExtended strand (participates in β ladder)trans-102.5118.1-177.6-63.3168000110.5Q34 E381 Q382 H384Q34-I386 HydrophobicContact CG-CG2 4.43Å; E381-I386 CarbonylContact C-O 3.47Å; E381-I386 HydrophobicContact CB-CB 4.07Å; E381-I386 HydrophobicContact CB-CG2 4.09Å; E381-I386 WeakPolarHBondContact O-CB 3.45Å; E381-I386 PolarHBondContact O-N 3.33Å; E381-I386 VanDerWaalsContact O-N 3.08Å; Q382-I386 WeakPolarHBondContact CG-O 3.09Å; Q382-I386 PolarHBondContact N-O 3.07Å; H384-I386 VanDerWaalsContact C-N 3.29Å; H384-I386 HydrophobicContact CB-CD1 4.4Å; H384-I386 PolarHBondContact O-N 2.97Å
387Y90Very high88.5Confident1 Ų142.7 Ų42.70%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-12197.1179-66.2-90.6000109.9Q34 I35 V37 Q382 C433 P434 F453Q34-Y387 WeakPolarHBondContact CA-O 3.28Å; I35-Y387 PolarHBondContact N-O 3.27Å; I35-Y387 WeakPolarHBondContact O-CB 3.35Å; I35-Y387 PolarHBondContact O-N 2.82Å; V37-Y387 HydrophobicContact CB-CE2 4.25Å; V37-Y387 HydrophobicContact CG2-CD2 3.86Å; V37-Y387 HydrophobicContact CG2-CE2 3.56Å; Q382-Y387 HydrophobicContact CB-CE1 3.96Å; Q382-Y387 HydrophobicContact CG-CD1 3.49Å; Q382-Y387 VanDerWaalsContact CG-CD1 3.49Å; Q382-Y387 HydrophobicContact CG-CE1 3.33Å; Q382-Y387 HydrophobicContact CG-CE2 4.49Å; Q382-Y387 HydrophobicContact CG-CG 4.15Å; Y387-C433 VanDerWaalsContact CD1-C 3.5Å; Y387-C433 VanDerWaalsContact CD1-CA 3.43Å; Y387-P434 HydrophobicContact CE1-CB 4.45Å; Y387-P434 VanDerWaalsContact CE1-CD 3.46Å; Y387-P434 HydrophobicContact CE1-CG 3.92Å; Y387-P434 HydrophobicContact CE2-CG 3.92Å; Y387-P434 WeakPolarHBondContact OH-CG 3.19Å; Y387-F453 PolarHBondContact OH-O 3.06Å
388R87.4Confident88.5Confident52 Ų5238.5 Ų38.520%0.19619%0.185CC..EExtended strand (participates in β ladder)trans-93.4131.6-173.6-161.2-175.4-54.3130.1-9.1112.1R378 E381 N390 S432R378-R388 PolarHBondContact NH1-O 3.07Å; E381-R388 IonicContact OE1-CZ 2.7Å; E381-R388 IonicContact OE1-NH1 2.58Å; E381-R388 PolarHBondContact OE1-NH1 2.9Å; E381-R388 IonicContact OE1-NH2 3.37Å; E381-R388 PolarHBondContact OE1-NH2 2.85Å; E381-R388 IonicContact OE2-CZ 3.32Å; E381-R388 IonicContact OE2-NE 3.62Å; E381-R388 IonicContact OE2-NH1 3.7Å; E381-R388 PolarHBondContact OE2-NH1 2.79Å; E381-R388 IonicContact OE2-NH2 2.7Å; E381-R388 PolarHBondContact OE2-NH2 3.12Å; E381-R388 VanDerWaalsContact OE2-NH2 3.14Å; R388-N390 VanDerWaalsContact CD-CG 3.43Å; R388-N390 WeakPolarHBondContact CD-OD1 3.48Å; R388-N390 HydrophobicContact CG-CB 4.37Å; R388-N390 VanDerWaalsContact CG-CG 3.47Å; R388-N390 WeakPolarHBondContact CG-OD1 3.49Å; R388-S432 VanDerWaalsContact C-OG 3.29Å; R388-S432 PolarHBondContact N-OG 3.49Å; R388-S432 VanDerWaalsContact N-OG 3.08Å; R388-S432 VanDerWaalsContact O-CB 3.25Å; R388-S432 WeakPolarHBondContact O-CB 3.44Å; R388-S432 PolarHBondContact O-OG 3.33Å
389R88.1Confident88.4Confident31 Ų3143.2 Ų43.212%0.11720%0.203CC..  trans-114.535176.6-63.6-179177.8-166.5-5113.1C32 G33 V409 L431 S432C32-R389 WeakPolarHBondContact CB-O 3.3Å; C32-R389 PolarHBondContact SG-O 2.92Å; G33-R389 PolarHBondContact O-N 3.22Å; R389-V409 PolarHBondContact NH1-O 3.23Å; R389-V409 PolarHBondContact NH2-O 3.09Å; R389-L431 PolarHBondContact NH2-O 3.45Å; R389-S432 PolarHBondContact NE-O 2.76Å; R389-S432 PolarHBondContact NH2-O 2.82Å; R389-S432 VanDerWaalsContact NH2-O 3.17Å
390N84.8Confident88.2Confident34 Ų3446.9 Ų46.918%0.18222%0.219CC..  trans-127.9175.2-175.277.218.4000112.1T28 C32 R378 R388 D394T28-N390 VanDerWaalsContact O-CB 3.24Å; T28-N390 WeakPolarHBondContact O-CB 3.47Å; C32-N390 HydrophobicContact CB-CB 3.57Å; R378-N390 PolarHBondContact NH2-O 2.99Å; R378-N390 VanDerWaalsContact NH2-O 3.14Å; R388-N390 VanDerWaalsContact CD-CG 3.43Å; R388-N390 WeakPolarHBondContact CD-OD1 3.48Å; R388-N390 HydrophobicContact CG-CB 4.37Å; R388-N390 VanDerWaalsContact CG-CG 3.47Å; R388-N390 WeakPolarHBondContact CG-OD1 3.49Å; N390-D394 WeakPolarHBondContact O-CB 3.43Å
391G84.9Confident88.2Confident14 Ų1442.8 Ų42.814%0.14420%0.2CC..SBendtrans102167.8176.300000114.2D394 F395G391-D394 WeakPolarHBondContact O-CB 3.44Å; G391-D394 PolarHBondContact O-N 3.31Å; G391-F395 WeakPolarHBondContact O-CB 3.35Å; G391-F395 PolarHBondContact O-N 2.82Å
392I87.2Confident88.2Confident67 Ų6742.5 Ų42.534%0.34420%0.198SC..Hα-helixtrans-64.7-47.2-173.5-64171.1000111.4I21 Y25 D394 F395 L396I21-I392 HydrophobicContact CG2-CD1 4.23Å; Y25-I392 HydrophobicContact CD2-CD1 4.36Å; Y25-I392 HydrophobicContact CD2-CG1 4.33Å; I392-D394 PolarHBondContact O-N 2.79Å; I392-F395 PolarHBondContact O-N 2.59Å; I392-L396 HydrophobicContact CG2-CD1 3.65Å; I392-L396 HydrophobicContact CG2-CG 4.28Å; I392-L396 WeakPolarHBondContact O-CB 3.19Å; I392-L396 VanDerWaalsContact O-CG 3.29Å; I392-L396 WeakPolarHBondContact O-CG 3.3Å; I392-L396 PolarHBondContact O-N 2.88Å
393I89.8Confident88.3Confident31 Ų3146.8 Ų46.816%0.15922%0.218CC..Hα-helixtrans-62.8-37.8179.5-56.9-50.2000111.1I370 E374 F397 F398I370-I393 HydrophobicContact CG2-CD1 3.33Å; I370-I393 HydrophobicContact CG2-CG1 3.81Å; E374-I393 HydrophobicContact CB-CB 4.4Å; E374-I393 HydrophobicContact CB-CG2 4.07Å; E374-I393 HydrophobicContact CG-CB 4.12Å; E374-I393 HydrophobicContact CG-CG2 4.06Å; I393-F397 HydrophobicContact CD1-CD2 4.48Å; I393-F397 HydrophobicContact CD1-CE2 4.37Å; I393-F397 HydrophobicContact CG2-CD2 4.13Å; I393-F397 WeakPolarHBondContact O-CB 3.49Å; I393-F397 PolarHBondContact O-N 3.3Å; I393-F398 HydrophobicContact CG2-CD2 4.44Å; I393-F398 HydrophobicContact CG2-CE1 4.03Å; I393-F398 HydrophobicContact CG2-CE2 3.93Å; I393-F398 HydrophobicContact CG2-CZ 3.69Å; I393-F398 PolarHBondContact O-N 2.96Å
394D89.9Confident88.5Confident2 Ų244.4 Ų44.41%0.01121%0.209CC..Iπ-helixtrans-61.9-52.4176.6-167.482.4000112.3R378 N390 G391 I392 L396 F398 R399 R402R378-D394 IonicContact CZ-OD1 2.96Å; R378-D394 VanDerWaalsContact CZ-OD1 3.29Å; R378-D394 IonicContact NH1-OD1 3.65Å; R378-D394 PolarHBondContact NH1-OD1 2.99Å; R378-D394 VanDerWaalsContact NH2-CG 3.32Å; R378-D394 IonicContact NH2-OD1 3.87Å; R378-D394 PolarHBondContact NH2-OD1 3.36Å; N390-D394 WeakPolarHBondContact O-CB 3.43Å; G391-D394 WeakPolarHBondContact O-CB 3.44Å; G391-D394 PolarHBondContact O-N 3.31Å; I392-D394 PolarHBondContact O-N 2.79Å; D394-L396 VanDerWaalsContact C-N 3.35Å; D394-L396 PolarHBondContact O-N 3.32Å; D394-F398 PolarHBondContact O-N 2.96Å; D394-R399 WeakPolarHBondContact O-CB 3.15Å; D394-R399 PolarHBondContact O-N 2.97Å; D394-R402 VanDerWaalsContact CG-NH2 3.3Å; D394-R402 IonicContact OD1-CZ 2.69Å; D394-R402 IonicContact OD1-NH1 3.72Å; D394-R402 PolarHBondContact OD1-NH1 3.34Å; D394-R402 IonicContact OD1-NH2 3.42Å; D394-R402 PolarHBondContact OD1-NH2 2.71Å; D394-R402 IonicContact OD2-CZ 2.68Å; D394-R402 IonicContact OD2-NH1 3.21Å; D394-R402 IonicContact OD2-NH2 3.66Å; D394-R402 PolarHBondContact OD2-NH2 3.28Å
395F87.2Confident88.9Confident56 Ų5638.7 Ų38.725%0.24618%0.183CC..Iπ-helixtrans-63.1-40.4-178.2177.3-97.7000112.8I24 T28 G391 I392 R399I24-F395 HydrophobicContact CD1-CE1 4.45Å; I24-F395 HydrophobicContact CG1-CE1 4.4Å; I24-F395 HydrophobicContact CG2-CD1 3.7Å; I24-F395 HydrophobicContact CG2-CE1 3.87Å; I24-F395 HydrophobicContact CG2-CG 4.21Å; I24-F395 HydrophobicContact CG2-CZ 4.47Å; T28-F395 HydrophobicContact CG2-CB 3.54Å; T28-F395 HydrophobicContact CG2-CD1 4.43Å; T28-F395 HydrophobicContact CG2-CD2 3.36Å; T28-F395 HydrophobicContact CG2-CE2 4.12Å; T28-F395 HydrophobicContact CG2-CG 3.53Å; G391-F395 WeakPolarHBondContact O-CB 3.35Å; G391-F395 PolarHBondContact O-N 2.82Å; I392-F395 PolarHBondContact O-N 2.59Å; F395-R399 VanDerWaalsContact CD2-CZ 3.45Å; F395-R399 VanDerWaalsContact CE2-CZ 3.42Å; F395-R399 PolarHBondContact O-NE 2.84Å; F395-R399 PolarHBondContact O-NH2 3.12Å
396L87.7Confident89.3Confident92 Ų9238.7 Ų38.748%0.48218%0.183SC..Iπ-helixtrans-80.3-36-177-68.3178.7000113.4I392 D394I392-L396 HydrophobicContact CG2-CD1 3.65Å; I392-L396 HydrophobicContact CG2-CG 4.28Å; I392-L396 WeakPolarHBondContact O-CB 3.19Å; I392-L396 VanDerWaalsContact O-CG 3.29Å; I392-L396 WeakPolarHBondContact O-CG 3.3Å; I392-L396 PolarHBondContact O-N 2.88Å; D394-L396 VanDerWaalsContact C-N 3.35Å; D394-L396 PolarHBondContact O-N 3.32Å
397F89.4Confident89.6Confident39 Ų3937.2 Ų37.217%0.17118%0.181CC..Iπ-helixtrans-124.6-50.3-169.7-55.9-70.2000113.6I361 I367 I393 F401I361-F397 HydrophobicContact CD1-CD1 4.32Å; I367-F397 HydrophobicContact CD1-CZ 4.16Å; I367-F397 HydrophobicContact CG1-CZ 4.37Å; I367-F397 HydrophobicContact CG2-CD1 4.31Å; I367-F397 HydrophobicContact CG2-CD2 4.44Å; I367-F397 HydrophobicContact CG2-CE1 3.73Å; I367-F397 HydrophobicContact CG2-CE2 3.87Å; I367-F397 HydrophobicContact CG2-CZ 3.47Å; I367-F397 VanDerWaalsContact CG2-CZ 3.47Å; I393-F397 HydrophobicContact CD1-CD2 4.48Å; I393-F397 HydrophobicContact CD1-CE2 4.37Å; I393-F397 HydrophobicContact CG2-CD2 4.13Å; I393-F397 WeakPolarHBondContact O-CB 3.49Å; I393-F397 PolarHBondContact O-N 3.3Å; F397-F401 VanDerWaalsContact O-CD2 3.28Å; F397-F401 WeakPolarHBondContact O-CD2 3.49Å
398F92.1Very high89.7Confident0 Ų041.6 Ų41.60%020%0.198CC..Iπ-helixtrans-78.8-32.6-169.2-58.7-18.6000113.9F357 C371 E374 I375 I393 D394 E400 F401 R402 V430F357-F398 AromaticContact CE2-CD1 3.93Å; F357-F398 HydrophobicContact CE2-CD1 3.93Å; F357-F398 AromaticContact CE2-CE1 3.99Å; F357-F398 HydrophobicContact CE2-CE1 3.99Å; F357-F398 HydrophobicContact CZ-CD1 4.33Å; F357-F398 AromaticContact CZ-CE1 3.92Å; F357-F398 HydrophobicContact CZ-CE1 3.92Å; C371-F398 HydrophobicContact CB-CE1 4.01Å; C371-F398 HydrophobicContact CB-CZ 4.21Å; E374-F398 HydrophobicContact CB-CE2 4.18Å; E374-F398 HydrophobicContact CB-CZ 4.26Å; E374-F398 HydrophobicContact CG-CE2 3.62Å; E374-F398 HydrophobicContact CG-CZ 4.19Å; I375-F398 HydrophobicContact CD1-CE1 4.47Å; I375-F398 HydrophobicContact CD1-CZ 4.21Å; I375-F398 HydrophobicContact CG1-CE1 4.48Å; I375-F398 HydrophobicContact CG1-CE2 4.31Å; I375-F398 HydrophobicContact CG1-CZ 3.79Å; I393-F398 HydrophobicContact CG2-CD2 4.44Å; I393-F398 HydrophobicContact CG2-CE1 4.03Å; I393-F398 HydrophobicContact CG2-CE2 3.93Å; I393-F398 HydrophobicContact CG2-CZ 3.69Å; I393-F398 PolarHBondContact O-N 2.96Å; D394-F398 PolarHBondContact O-N 2.96Å; F398-E400 VanDerWaalsContact C-N 3.32Å; F398-E400 PolarHBondContact O-N 3.48Å; F398-F401 PolarHBondContact O-N 2.9Å; F398-F401 VanDerWaalsContact O-N 3.09Å; F398-R402 PolarHBondContact O-N 2.85Å; F398-R402 VanDerWaalsContact O-N 3.07Å; F398-V430 HydrophobicContact CB-CG1 4Å; F398-V430 HydrophobicContact CD1-CB 4.39Å; F398-V430 HydrophobicContact CD1-CG1 4.24Å; F398-V430 HydrophobicContact CD1-CG2 3.71Å; F398-V430 HydrophobicContact CE1-CG2 3.83Å; F398-V430 HydrophobicContact CG-CB 4.41Å; F398-V430 HydrophobicContact CG-CG1 4.26Å; F398-V430 HydrophobicContact CG-CG2 4.14Å; F398-V430 HydrophobicContact CZ-CG2 4.32Å
399R90.3Very high90.1Very high100 Ų10039.6 Ų39.638%0.37719%0.191SC..Hα-helixtrans-54.8-47.1-179.8179.4176.357.6165.8-2.6111.8D394 F395 F401 R402 E403D394-R399 WeakPolarHBondContact O-CB 3.15Å; D394-R399 PolarHBondContact O-N 2.97Å; F395-R399 VanDerWaalsContact CD2-CZ 3.45Å; F395-R399 VanDerWaalsContact CE2-CZ 3.42Å; F395-R399 PolarHBondContact O-NE 2.84Å; F395-R399 PolarHBondContact O-NH2 3.12Å; R399-F401 VanDerWaalsContact C-N 3.25Å; R399-F401 PolarHBondContact O-N 2.61Å; R399-R402 WeakPolarHBondContact O-CA 3.42Å; R399-R402 WeakPolarHBondContact O-CB 3.23Å; R399-R402 PolarHBondContact O-N 3.04Å; R399-E403 HydrophobicContact CG-CG 4.33Å; R399-E403 WeakPolarHBondContact O-CG 3.34Å; R399-E403 PolarHBondContact O-N 2.99Å
400E88.8Confident90.3Very high87 Ų8740.1 Ų40.141%0.40720%0.198SC..Hα-helixtrans-55.1-40.4178.3-177.7-174170.500112.6K360 F398 E403 L404K360-E400 IonicContact NZ-OE1 3.27Å; K360-E400 PolarHBondContact NZ-OE1 3.21Å; K360-E400 IonicContact NZ-OE2 3.02Å; K360-E400 PolarHBondContact NZ-OE2 2.96Å; F398-E400 VanDerWaalsContact C-N 3.32Å; F398-E400 PolarHBondContact O-N 3.48Å; E400-E403 WeakPolarHBondContact O-CB 3.31Å; E400-E403 PolarHBondContact O-N 3.43Å; E400-L404 PolarHBondContact O-N 2.84Å; E400-L404 VanDerWaalsContact O-N 3.11Å
401F89.8Confident90.7Very high7 Ų738.5 Ų38.53%0.03119%0.189CC..Hα-helixtrans-75.3-28.4178.5-69.7-90.3000112.8F357 K360 F397 F398 R399 L404 V430F357-F401 HydrophobicContact CB-CD1 3.98Å; F357-F401 HydrophobicContact CB-CE1 3.52Å; F357-F401 HydrophobicContact CB-CE2 4.32Å; F357-F401 HydrophobicContact CB-CZ 3.72Å; F357-F401 HydrophobicContact CD2-CD1 4.24Å; F357-F401 AromaticContact CD2-CD2 3.57Å; F357-F401 HydrophobicContact CD2-CD2 3.57Å; F357-F401 HydrophobicContact CD2-CE1 4.11Å; F357-F401 AromaticContact CD2-CE2 3.4Å; F357-F401 HydrophobicContact CD2-CE2 3.4Å; F357-F401 VanDerWaalsContact CD2-CE2 3.4Å; F357-F401 HydrophobicContact CD2-CG 4.01Å; F357-F401 AromaticContact CD2-CZ 3.71Å; F357-F401 HydrophobicContact CD2-CZ 3.71Å; F357-F401 HydrophobicContact CE2-CD2 4.23Å; F357-F401 HydrophobicContact CE2-CE2 4.16Å; F357-F401 HydrophobicContact CG-CE1 4.31Å; F357-F401 HydrophobicContact CG-CE2 4.26Å; F357-F401 HydrophobicContact CG-CZ 4.11Å; K360-F401 HydrophobicContact CD-CE2 4.42Å; K360-F401 HydrophobicContact CD-CZ 4.22Å; F397-F401 VanDerWaalsContact O-CD2 3.28Å; F397-F401 WeakPolarHBondContact O-CD2 3.49Å; F398-F401 PolarHBondContact O-N 2.9Å; F398-F401 VanDerWaalsContact O-N 3.09Å; R399-F401 VanDerWaalsContact C-N 3.25Å; R399-F401 PolarHBondContact O-N 2.61Å; F401-L404 HydrophobicContact CD1-CD1 3.7Å; F401-L404 HydrophobicContact CE1-CD1 4.2Å; F401-L404 HydrophobicContact CG-CD1 4.39Å; F401-L404 WeakPolarHBondContact O-CB 3.21Å; F401-L404 PolarHBondContact O-N 2.97Å; F401-V430 HydrophobicContact CB-CG1 3.69Å; F401-V430 HydrophobicContact CG-CG1 4.46Å
402R91.2Very high91.2Very high18 Ų1837.9 Ų37.97%0.06818%0.182CC..Hα-helixtrans-66.9-39.2166.8-75.7-170.2-51.8-90.62.8112.2D394 F398 R399 L404 L405 G406 G407 V430 L431D394-R402 VanDerWaalsContact CG-NH2 3.3Å; D394-R402 IonicContact OD1-CZ 2.69Å; D394-R402 IonicContact OD1-NH1 3.72Å; D394-R402 PolarHBondContact OD1-NH1 3.34Å; D394-R402 IonicContact OD1-NH2 3.42Å; D394-R402 PolarHBondContact OD1-NH2 2.71Å; D394-R402 IonicContact OD2-CZ 2.68Å; D394-R402 IonicContact OD2-NH1 3.21Å; D394-R402 IonicContact OD2-NH2 3.66Å; D394-R402 PolarHBondContact OD2-NH2 3.28Å; F398-R402 PolarHBondContact O-N 2.85Å; F398-R402 VanDerWaalsContact O-N 3.07Å; R399-R402 WeakPolarHBondContact O-CA 3.42Å; R399-R402 WeakPolarHBondContact O-CB 3.23Å; R399-R402 PolarHBondContact O-N 3.04Å; R402-L404 PolarHBondContact O-N 3.38Å; R402-L405 PolarHBondContact O-N 3.39Å; R402-L405 VanDerWaalsContact O-N 3.07Å; R402-G406 PolarHBondContact O-N 3.36Å; R402-G407 WeakPolarHBondContact O-CA 3.19Å; R402-G407 PolarHBondContact O-N 3.37Å; R402-V430 PolarHBondContact NH1-O 2.98Å; R402-L431 HydrophobicContact CB-CD2 4.33Å; R402-L431 VanDerWaalsContact CD-O 3.23Å; R402-L431 WeakPolarHBondContact CD-O 3.44Å; R402-L431 HydrophobicContact CG-CB 4.37Å; R402-L431 HydrophobicContact CG-CD2 3.65Å
403E91.5Very high91.5Very high90 Ų9035.7 Ų35.742%0.42117%0.172SC..Hα-helixtrans-65-27.3176-65-53.3146.400112R336 R399 E400 L405 G406R336-E403 WeakPolarHBondContact CG-O 3.34Å; R399-E403 HydrophobicContact CG-CG 4.33Å; R399-E403 WeakPolarHBondContact O-CG 3.34Å; R399-E403 PolarHBondContact O-N 2.99Å; E400-E403 WeakPolarHBondContact O-CB 3.31Å; E400-E403 PolarHBondContact O-N 3.43Å; E403-L405 PolarHBondContact O-N 3.17Å; E403-G406 PolarHBondContact O-N 3.1Å
404L90.8Very high91.6Very high35 Ų3534.3 Ų34.318%0.18317%0.165CC..THydrogen-bonded Turntrans-58-28.5171.4-67177000113F332 E400 F401 R402F332-L404 HydrophobicContact CD1-CB 4.21Å; F332-L404 WeakPolarHBondContact CD1-O 3.41Å; E400-L404 PolarHBondContact O-N 2.84Å; E400-L404 VanDerWaalsContact O-N 3.11Å; F401-L404 HydrophobicContact CD1-CD1 3.7Å; F401-L404 HydrophobicContact CE1-CD1 4.2Å; F401-L404 HydrophobicContact CG-CD1 4.39Å; F401-L404 WeakPolarHBondContact O-CB 3.21Å; F401-L404 PolarHBondContact O-N 2.97Å; R402-L404 PolarHBondContact O-N 3.38Å
405L93.2Very high91.5Very high1 Ų134.3 Ų34.31%0.00517%0.165CC..THydrogen-bonded Turntrans-10117.5175.4-53-177.3000112.2F332 L335 F343 R402 E403 V409 I412 L431F332-L405 HydrophobicContact CD1-CD2 4.36Å; F332-L405 HydrophobicContact CE1-CD2 4.08Å; L335-L405 HydrophobicContact CD1-CD2 3.7Å; F343-L405 HydrophobicContact CD1-CD1 4.2Å; F343-L405 HydrophobicContact CE1-CD1 4.36Å; F343-L405 HydrophobicContact CE1-CD2 4.07Å; F343-L405 HydrophobicContact CZ-CD2 4.21Å; R402-L405 PolarHBondContact O-N 3.39Å; R402-L405 VanDerWaalsContact O-N 3.07Å; E403-L405 PolarHBondContact O-N 3.17Å; L405-V409 HydrophobicContact CB-CG2 4.01Å; L405-I412 HydrophobicContact CD1-CD1 4.47Å; L405-L431 HydrophobicContact CD1-CD1 3.45Å; L405-L431 VanDerWaalsContact CD1-CD1 3.45Å; L405-L431 HydrophobicContact CD1-CD2 4.05Å; L405-L431 HydrophobicContact CD1-CG 4.43Å
406G94Very high91.2Very high2 Ų233.6 Ų33.62%0.02117%0.167CC..THydrogen-bonded Turntrans82.69178.300000115.9L335 R402 E403 R408L335-G406 VanDerWaalsContact O-CA 3.28Å; L335-G406 WeakPolarHBondContact O-CA 3.47Å; R402-G406 PolarHBondContact O-N 3.36Å; E403-G406 PolarHBondContact O-N 3.1Å; G406-R408 PolarHBondContact O-N 2.89Å
407G92.5Very high90.9Very high23 Ų2330.7 Ų30.724%0.23715%0.154CC..SBendtrans73.8-13.5169.100000116.2R402R402-G407 WeakPolarHBondContact O-CA 3.19Å; R402-G407 PolarHBondContact O-N 3.37Å
408R93.5Very high90.5Very high93 Ų9331.6 Ų31.635%0.35116%0.164SC..  trans-104.4-9.9-173.1-65.1-169.968-167.1-3.1115.3D293 K339 P340 T341 G406 T410D293-R408 IonicContact OD2-CZ 2.68Å; D293-R408 IonicContact OD2-NH1 3.29Å; D293-R408 PolarHBondContact OD2-NH1 2.8Å; D293-R408 IonicContact OD2-NH2 2.74Å; D293-R408 PolarHBondContact OD2-NH2 3Å; K339-R408 HydrophobicContact CB-CG 4.08Å; P340-R408 CarbonylContact O-C 3.53Å; P340-R408 WeakPolarHBondContact O-CB 3.49Å; T341-R408 HydrophobicContact CG2-CB 4.24Å; G406-R408 PolarHBondContact O-N 2.89Å; R408-T410 WeakPolarHBondContact O-CG2 3.43Å; R408-T410 PolarHBondContact O-N 2.91Å
409V94.4Very high90Very high9 Ų932 Ų326%0.05517%0.166CC..  trans-56.4125.3-179.2174.60000109.9P340 T341 F343 R389 L405 A411 I412P340-V409 HydrophobicContact CG-CG2 4.12Å; P340-V409 WeakPolarHBondContact O-CA 3.45Å; P340-V409 WeakPolarHBondContact O-CG2 3.22Å; P340-V409 PolarHBondContact O-N 2.74Å; T341-V409 CarbonylContact O-C 3.12Å; T341-V409 WeakPolarHBondContact O-CA 3.38Å; F343-V409 HydrophobicContact CB-CG1 3.95Å; F343-V409 HydrophobicContact CB-CG2 4.06Å; R389-V409 PolarHBondContact NH1-O 3.23Å; R389-V409 PolarHBondContact NH2-O 3.09Å; L405-V409 HydrophobicContact CB-CG2 4.01Å; V409-A411 WeakPolarHBondContact CG1-O 3.36Å; V409-I412 HydrophobicContact CG1-CD1 4.25Å; V409-I412 HydrophobicContact CG1-CG1 3.75Å
410T92.6Very high89.7Confident42 Ų4228.2 Ų28.226%0.25815%0.153SC..  trans-114.9-10.7178.656.20000113.3I35 F289 T341 R408 C433 P434I35-T410 HydrophobicContact CD1-CG2 3.82Å; F289-T410 VanDerWaalsContact CE2-OG1 3.22Å; F289-T410 WeakPolarHBondContact CE2-OG1 3.49Å; T341-T410 PolarHBondContact O-N 3.39Å; T341-T410 PolarHBondContact O-OG1 2.84Å; T341-T410 VanDerWaalsContact O-OG1 3.08Å; R408-T410 WeakPolarHBondContact O-CG2 3.43Å; R408-T410 PolarHBondContact O-N 2.91Å; T410-C433 VanDerWaalsContact O-CB 3.27Å; T410-C433 WeakPolarHBondContact O-CB 3.45Å; T410-P434 VanDerWaalsContact O-CD 3.32Å; T410-P434 WeakPolarHBondContact O-CD 3.32Å
411A93.2Very high89.6Confident1 Ų129.9 Ų29.91%0.00816%0.156CC..EExtended strand (participates in β ladder)trans-154.5153.4169.100000111.1F289 F342 F343 V409 F453F289-A411 HydrophobicContact CD2-CB 3.76Å; F289-A411 HydrophobicContact CE2-CB 3.51Å; F342-A411 HydrophobicContact CD2-CB 4.27Å; F343-A411 PolarHBondContact N-O 2.85Å; F343-A411 VanDerWaalsContact N-O 3.1Å; V409-A411 WeakPolarHBondContact CG1-O 3.36Å; A411-F453 HydrophobicContact CB-CE1 4.24Å; A411-F453 HydrophobicContact CB-CE2 4.48Å; A411-F453 HydrophobicContact CB-CZ 3.74Å
412I95.2Very high89.4Confident0 Ų033 Ų330%017%0.173CC..EExtended strand (participates in β ladder)trans-127.7135.7178.6-57.8-175.1000109.3F343 L405 V409 I427 L431 P434 V435 I436F343-I412 HydrophobicContact CB-CG1 4.25Å; F343-I412 HydrophobicContact CD1-CD1 4.46Å; F343-I412 HydrophobicContact CD1-CG2 4.39Å; F343-I412 VanDerWaalsContact O-CA 3.28Å; F343-I412 WeakPolarHBondContact O-CA 3.48Å; F343-I412 WeakPolarHBondContact O-CG2 3.21Å; L405-I412 HydrophobicContact CD1-CD1 4.47Å; V409-I412 HydrophobicContact CG1-CD1 4.25Å; V409-I412 HydrophobicContact CG1-CG1 3.75Å; I412-I427 HydrophobicContact CD1-CG2 3.94Å; I412-L431 HydrophobicContact CD1-CD1 3.3Å; I412-P434 PolarHBondContact N-O 2.85Å; I412-V435 HydrophobicContact CB-CB 4.5Å; I412-V435 HydrophobicContact CB-CG1 4.24Å; I412-V435 HydrophobicContact CB-CG2 4.24Å; I412-V435 HydrophobicContact CD1-CG2 4.44Å; I412-V435 HydrophobicContact CG2-CG1 4.16Å; I412-V435 WeakPolarHBondContact O-CA 3.31Å; I412-I436 PolarHBondContact O-N 3.11Å
413I93.7Very high89.3Confident22 Ų2232.1 Ų32.111%0.11317%0.17CC..EExtended strand (participates in β ladder)trans-102.1134.2163.3-72.4-178.5000108.4L283 F342 F343 S345 I436 V438L283-I413 HydrophobicContact CD2-CD1 4Å; F342-I413 HydrophobicContact CE2-CB 4.39Å; F342-I413 HydrophobicContact CE2-CD1 4.03Å; F342-I413 HydrophobicContact CE2-CG1 3.78Å; F342-I413 HydrophobicContact CZ-CB 3.91Å; F342-I413 HydrophobicContact CZ-CD1 3.56Å; F342-I413 HydrophobicContact CZ-CG1 3.58Å; F343-I413 PolarHBondContact O-N 3.27Å; S345-I413 WeakPolarHBondContact CA-O 3.47Å; S345-I413 PolarHBondContact N-O 3.43Å; I413-I436 CarbonylContact C-O 3.4Å; I413-I436 HydrophobicContact CG1-CB 4.31Å; I413-I436 HydrophobicContact CG1-CD1 4.11Å; I413-V438 HydrophobicContact CG2-CB 4.31Å; I413-V438 HydrophobicContact CG2-CG2 3.73Å
414S92.3Very high89.3Confident2 Ų227.9 Ų27.91%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-118.1114.1169.7-179.10000108.2I436 E437 V438S414-I436 PolarHBondContact N-O 3.45Å; S414-E437 WeakPolarHBondContact O-CA 3.43Å; S414-V438 PolarHBondContact O-N 2.75Å
415G87.8Confident89.4Confident2 Ų227.5 Ų27.52%0.02115%0.147CC..  trans-129-166.8177.900000112.1S345 P347 S417S345-G415 PolarHBondContact O-N 2.79Å; P347-G415 VanDerWaalsContact CD-O 3.24Å; P347-G415 WeakPolarHBondContact CD-O 3.29Å; G415-S417 PolarHBondContact O-N 3.28Å
416S80.7Confident89.3Confident40 Ų4027.8 Ų27.828%0.2815%0.148SC..SBendtrans70.9-37.6-178.981.40000116.1V346 K681V346-S416 WeakPolarHBondContact CG1-OG 3.32Å; S416-K681 WeakPolarHBondContact O-CE 3.29Å; S416-K681 PolarHBondContact O-NZ 3.14Å
417S81.6Confident89.3Confident31 Ų3127.7 Ų27.722%0.21715%0.147CC..SBendtrans-151.4167.2176.868.40000111.5P347 G415P347-S417 VanDerWaalsContact CG-O 3.23Å; P347-S417 WeakPolarHBondContact CG-O 3.43Å; P347-S417 VanDerWaalsContact CG-OG 3.3Å; P347-S417 WeakPolarHBondContact CG-OG 3.41Å; G415-S417 PolarHBondContact O-N 3.28Å
418P80.9Confident89.4Confident58 Ų5826.8 Ų26.838%0.37714%0.136SC..  trans-61.1149.3170.1-22.634.4000112.3P347P347-P418 WeakPolarHBondContact CG-O 3.46Å
419I82.6Confident89.4Confident8 Ų822.4 Ų22.44%0.04112%0.12CC..  trans-109.5142.6170.1-171.9170000110.4P347 L350 V423 L424 E437P347-I419 HydrophobicContact CB-CB 4.04Å; P347-I419 HydrophobicContact CB-CG1 4.23Å; P347-I419 HydrophobicContact CG-CB 4.01Å; L350-I419 HydrophobicContact CB-CD1 4.07Å; L350-I419 HydrophobicContact CD1-CD1 3.58Å; L350-I419 HydrophobicContact CG-CD1 4.48Å; I419-V423 HydrophobicContact CD1-CB 4.41Å; I419-V423 HydrophobicContact CD1-CG1 3.93Å; I419-V423 HydrophobicContact CG1-CB 4.17Å; I419-V423 HydrophobicContact CG1-CG1 4.11Å; I419-L424 HydrophobicContact CD1-CB 4.37Å; I419-L424 HydrophobicContact CG1-CB 4.48Å; I419-L424 HydrophobicContact CG2-CB 4.12Å; I419-L424 HydrophobicContact CG2-CD1 4.21Å; I419-L424 HydrophobicContact CG2-CD2 4.32Å; I419-L424 HydrophobicContact CG2-CG 4.46Å; I419-E437 VanDerWaalsContact CG2-CD 3.48Å; I419-E437 HydrophobicContact CG2-CG 3.91Å; I419-E437 WeakPolarHBondContact CG2-OE1 3.35Å
420D83.3Confident89.3Confident22 Ų2222 Ų2212%0.11812%0.117CC..  trans-67.3141.4174.3-177.1-85.5000111D422 V423 L424 F561 K651D420-D422 VanDerWaalsContact C-N 3.32Å; D420-D422 PolarHBondContact O-N 2.79Å; D420-D422 WeakPolarHBondContact OD1-CB 3.38Å; D420-D422 PolarHBondContact OD1-N 2.66Å; D420-V423 HydrophobicContact CB-CG2 4.22Å; D420-V423 PolarHBondContact O-N 3.45Å; D420-V423 VanDerWaalsContact O-N 3.15Å; D420-L424 PolarHBondContact O-N 3.27Å; D420-F561 HydrophobicContact CB-CE2 3.81Å; D420-F561 HydrophobicContact CB-CZ 3.8Å; D420-F561 WeakPolarHBondContact OD1-CZ 3.49Å; D420-F561 WeakPolarHBondContact OD2-CE2 3.47Å; D420-K651 IonicContact OD1-NZ 3.37Å; D420-K651 PolarHBondContact OD1-NZ 3.39Å; D420-K651 IonicContact OD2-NZ 3.72Å
421R86.4Confident89.2Confident122 Ų12220.3 Ų20.346%0.4611%0.107SC..Hα-helixtrans-56-43.2-178.3176.3-178.8-176.5-169.94113V423 L424 F425 A458R421-V423 VanDerWaalsContact C-N 3.27Å; R421-V423 PolarHBondContact O-N 3.31Å; R421-L424 PolarHBondContact O-N 3.48Å; R421-F425 HydrophobicContact CG-CD1 4.1Å; R421-F425 HydrophobicContact CG-CD2 4.28Å; R421-F425 HydrophobicContact CG-CE1 4.04Å; R421-F425 HydrophobicContact CG-CE2 4.24Å; R421-F425 HydrophobicContact CG-CG 4.24Å; R421-F425 HydrophobicContact CG-CZ 4.12Å; R421-F425 VanDerWaalsContact O-CB 3.26Å; R421-F425 WeakPolarHBondContact O-CB 3.47Å; R421-F425 WeakPolarHBondContact O-CD1 3.19Å; R421-F425 WeakPolarHBondContact O-CG 3.36Å; R421-F425 PolarHBondContact O-N 3.26Å; R421-A458 HydrophobicContact CB-CB 4Å; R421-A458 HydrophobicContact CG-CB 3.8Å
422D86.2Confident89.1Confident71 Ų7120.2 Ų20.238%0.3811%0.106SC..Hα-helixtrans-67.1-35.7-177.1-66.5-27.8000110.8D420 F426 F561 K651D420-D422 VanDerWaalsContact C-N 3.32Å; D420-D422 PolarHBondContact O-N 2.79Å; D420-D422 WeakPolarHBondContact OD1-CB 3.38Å; D420-D422 PolarHBondContact OD1-N 2.66Å; D422-F426 WeakPolarHBondContact O-CB 3.25Å; D422-F426 PolarHBondContact O-N 3.45Å; D422-F561 HydrophobicContact CB-CE1 4.33Å; D422-F561 HydrophobicContact CB-CZ 4.39Å; D422-K651 IonicContact OD2-NZ 3.05Å; D422-K651 PolarHBondContact OD2-NZ 3.28Å
423V88.8Confident89Confident1 Ų120.2 Ų20.21%0.00611%0.106CC..Hα-helixtrans-69.4-47.3175-179.70000109.7L350 V351 Y354 I419 D420 R421 F425 F426 I427 F561L350-V423 HydrophobicContact CB-CG1 4.2Å; V351-V423 HydrophobicContact CG2-CG1 4.19Å; V351-V423 HydrophobicContact CG2-CG2 4.05Å; Y354-V423 HydrophobicContact CD1-CG2 4.24Å; Y354-V423 HydrophobicContact CD2-CG2 4.32Å; Y354-V423 HydrophobicContact CG-CG2 4.03Å; I419-V423 HydrophobicContact CD1-CB 4.41Å; I419-V423 HydrophobicContact CD1-CG1 3.93Å; I419-V423 HydrophobicContact CG1-CB 4.17Å; I419-V423 HydrophobicContact CG1-CG1 4.11Å; D420-V423 HydrophobicContact CB-CG2 4.22Å; D420-V423 PolarHBondContact O-N 3.45Å; D420-V423 VanDerWaalsContact O-N 3.15Å; R421-V423 VanDerWaalsContact C-N 3.27Å; R421-V423 PolarHBondContact O-N 3.31Å; V423-F425 PolarHBondContact O-N 2.93Å; V423-F426 WeakPolarHBondContact O-CB 3.25Å; V423-F426 PolarHBondContact O-N 2.88Å; V423-I427 HydrophobicContact CG1-CG1 4.22Å; V423-I427 WeakPolarHBondContact O-CB 3.14Å; V423-I427 WeakPolarHBondContact O-CG1 3.39Å; V423-I427 PolarHBondContact O-N 3.24Å; V423-F561 HydrophobicContact CG2-CE1 4.27Å; V423-F561 HydrophobicContact CG2-CZ 3.84Å
424L91.4Very high88.9Confident0 Ų019.2 Ų19.20%010%0.101CC..Hα-helixtrans-57.1-49.3177.9-179.861.5000111.6I419 D420 R421 I427 R428 V435 E437 A458I419-L424 HydrophobicContact CD1-CB 4.37Å; I419-L424 HydrophobicContact CG1-CB 4.48Å; I419-L424 HydrophobicContact CG2-CB 4.12Å; I419-L424 HydrophobicContact CG2-CD1 4.21Å; I419-L424 HydrophobicContact CG2-CD2 4.32Å; I419-L424 HydrophobicContact CG2-CG 4.46Å; D420-L424 PolarHBondContact O-N 3.27Å; R421-L424 PolarHBondContact O-N 3.48Å; L424-I427 PolarHBondContact O-N 2.84Å; L424-R428 WeakPolarHBondContact O-CB 3.27Å; L424-R428 WeakPolarHBondContact O-CG 3.43Å; L424-R428 PolarHBondContact O-N 3.25Å; L424-V435 HydrophobicContact CD1-CB 3.82Å; L424-V435 HydrophobicContact CD1-CG1 3.55Å; L424-E437 VanDerWaalsContact CD2-OE2 3.29Å; L424-E437 WeakPolarHBondContact CD2-OE2 3.38Å; L424-A458 HydrophobicContact CD2-CB 3.89Å
425F92.6Very high89Confident27 Ų2719.3 Ų19.312%0.11810%0.101CC..Hα-helixtrans-64.7-42.1-179.9-81.823.8000111.4I379 R421 V423 G429 V456 A458I379-F425 HydrophobicContact CD1-CB 3.5Å; I379-F425 HydrophobicContact CD1-CD1 4.4Å; I379-F425 HydrophobicContact CD1-CD2 3.62Å; I379-F425 HydrophobicContact CD1-CE2 4.37Å; I379-F425 HydrophobicContact CD1-CG 3.61Å; R421-F425 HydrophobicContact CG-CD1 4.1Å; R421-F425 HydrophobicContact CG-CD2 4.28Å; R421-F425 HydrophobicContact CG-CE1 4.04Å; R421-F425 HydrophobicContact CG-CE2 4.24Å; R421-F425 HydrophobicContact CG-CG 4.24Å; R421-F425 HydrophobicContact CG-CZ 4.12Å; R421-F425 VanDerWaalsContact O-CB 3.26Å; R421-F425 WeakPolarHBondContact O-CB 3.47Å; R421-F425 WeakPolarHBondContact O-CD1 3.19Å; R421-F425 WeakPolarHBondContact O-CG 3.36Å; R421-F425 PolarHBondContact O-N 3.26Å; V423-F425 PolarHBondContact O-N 2.93Å; F425-G429 PolarHBondContact O-N 2.99Å; F425-V456 WeakPolarHBondContact CE1-O 3.12Å; F425-A458 HydrophobicContact CE1-CB 4.01Å
426F92.2Very high89.2Confident7 Ų719.4 Ų19.43%0.03110%0.101CC..Hα-helixtrans-58.2-51.3173168.5-94.8000112.3V353 Y354 F357 I375 D422 V423 R428 G429 V430V353-F426 HydrophobicContact CG1-CE1 4.49Å; Y354-F426 HydrophobicContact CD2-CB 3.59Å; Y354-F426 AromaticContact CD2-CD1 3.53Å; Y354-F426 HydrophobicContact CD2-CD1 3.53Å; Y354-F426 AromaticContact CD2-CD2 3.98Å; Y354-F426 HydrophobicContact CD2-CD2 3.98Å; Y354-F426 HydrophobicContact CD2-CE1 4.24Å; Y354-F426 AromaticContact CD2-CG 3.39Å; Y354-F426 HydrophobicContact CD2-CG 3.39Å; Y354-F426 HydrophobicContact CE2-CB 3.88Å; Y354-F426 HydrophobicContact CE2-CD2 4.25Å; Y354-F426 AromaticContact CE2-CG 3.96Å; Y354-F426 HydrophobicContact CE2-CG 3.96Å; Y354-F426 HydrophobicContact CG-CD1 4.23Å; Y354-F426 HydrophobicContact CG-CG 4.47Å; F357-F426 HydrophobicContact CB-CE1 4.24Å; F357-F426 HydrophobicContact CB-CE2 3.76Å; F357-F426 HydrophobicContact CB-CZ 3.31Å; F357-F426 HydrophobicContact CD1-CD2 4.1Å; F357-F426 AromaticContact CD1-CE2 3.18Å; F357-F426 HydrophobicContact CD1-CE2 3.18Å; F357-F426 AromaticContact CD1-CZ 3.75Å; F357-F426 HydrophobicContact CD1-CZ 3.75Å; F357-F426 AromaticContact CD2-CE2 3.62Å; F357-F426 HydrophobicContact CD2-CE2 3.62Å; F357-F426 AromaticContact CD2-CZ 3.64Å; F357-F426 HydrophobicContact CD2-CZ 3.64Å; F357-F426 HydrophobicContact CE1-CD2 4.27Å; F357-F426 AromaticContact CE1-CE2 3.52Å; F357-F426 HydrophobicContact CE1-CE2 3.52Å; F357-F426 HydrophobicContact CE1-CZ 4.42Å; F357-F426 AromaticContact CE2-CE2 3.93Å; F357-F426 HydrophobicContact CE2-CE2 3.93Å; F357-F426 HydrophobicContact CE2-CZ 4.34Å; F357-F426 HydrophobicContact CG-CD2 4.48Å; F357-F426 AromaticContact CG-CE2 3.24Å; F357-F426 HydrophobicContact CG-CE2 3.24Å; F357-F426 AromaticContact CG-CZ 3.3Å; F357-F426 HydrophobicContact CG-CZ 3.3Å; F357-F426 AromaticContact CZ-CE2 3.87Å; F357-F426 HydrophobicContact CZ-CE2 3.87Å; I375-F426 HydrophobicContact CD1-CD2 3.88Å; I375-F426 HydrophobicContact CD1-CE2 4.45Å; D422-F426 WeakPolarHBondContact O-CB 3.25Å; D422-F426 PolarHBondContact O-N 3.45Å; V423-F426 WeakPolarHBondContact O-CB 3.25Å; V423-F426 PolarHBondContact O-N 2.88Å; F426-R428 PolarHBondContact O-N 2.98Å; F426-G429 PolarHBondContact O-N 2.89Å; F426-V430 HydrophobicContact CD2-CG2 3.75Å; F426-V430 HydrophobicContact CE1-CG2 4.36Å; F426-V430 HydrophobicContact CE2-CB 4.25Å; F426-V430 HydrophobicContact CE2-CG2 3.29Å; F426-V430 HydrophobicContact CG-CG2 4.4Å; F426-V430 HydrophobicContact CZ-CB 4.13Å; F426-V430 HydrophobicContact CZ-CG1 4.26Å; F426-V430 HydrophobicContact CZ-CG2 3.64Å; F426-V430 WeakPolarHBondContact O-CB 3.45Å; F426-V430 WeakPolarHBondContact O-CG2 3.49Å; F426-V430 PolarHBondContact O-N 3.35Å
427I94.2Very high89.8Confident1 Ų117.9 Ų17.91%0.0059%0.09CC..Hα-helixtrans-61.6-46.6-178.4-66.3-64.1000109.9L350 V353 I412 V423 L424 G429 L431 V435L350-I427 HydrophobicContact CB-CD1 4.4Å; L350-I427 HydrophobicContact CB-CG1 4.24Å; L350-I427 HydrophobicContact CD2-CD1 4.21Å; L350-I427 HydrophobicContact CD2-CG1 4.33Å; L350-I427 HydrophobicContact CD2-CG2 4.26Å; V353-I427 HydrophobicContact CB-CD1 4.13Å; V353-I427 HydrophobicContact CG1-CD1 3.98Å; I412-I427 HydrophobicContact CD1-CG2 3.94Å; V423-I427 HydrophobicContact CG1-CG1 4.22Å; V423-I427 WeakPolarHBondContact O-CB 3.14Å; V423-I427 WeakPolarHBondContact O-CG1 3.39Å; V423-I427 PolarHBondContact O-N 3.24Å; L424-I427 PolarHBondContact O-N 2.84Å; I427-G429 PolarHBondContact O-N 2.96Å; I427-L431 HydrophobicContact CG2-CD1 3.65Å; I427-L431 HydrophobicContact CG2-CG 4.34Å; I427-L431 VanDerWaalsContact O-CB 3.28Å; I427-L431 WeakPolarHBondContact O-CB 3.47Å; I427-L431 PolarHBondContact O-N 3.29Å; I427-V435 HydrophobicContact CB-CG2 4.47Å; I427-V435 HydrophobicContact CG2-CG2 3.7Å
428R93.7Very high90.4Very high4 Ų417.2 Ų17.22%0.0159%0.085CC..Iπ-helixtrans-54.6-47.6174.2-80.2178.5178.2157.9-2112.4Q382 L424 F426 S432 V435 D455 V456 D457Q382-R428 PolarHBondContact NE2-O 3.36Å; L424-R428 WeakPolarHBondContact O-CB 3.27Å; L424-R428 WeakPolarHBondContact O-CG 3.43Å; L424-R428 PolarHBondContact O-N 3.25Å; F426-R428 PolarHBondContact O-N 2.98Å; R428-S432 WeakPolarHBondContact O-CA 3.3Å; R428-S432 PolarHBondContact O-N 2.89Å; R428-V435 HydrophobicContact CB-CG2 4.5Å; R428-V435 HydrophobicContact CG-CB 3.88Å; R428-V435 HydrophobicContact CG-CG2 3.6Å; R428-V435 PolarHBondContact NH2-O 2.59Å; R428-D455 PolarHBondContact NH2-O 2.86Å; R428-D455 VanDerWaalsContact NH2-O 3.09Å; R428-V456 VanDerWaalsContact NH1-CA 3.32Å; R428-V456 PolarHBondContact NH1-O 3.15Å; R428-D457 PolarHBondContact NH1-O 3.09Å
429G93.3Very high91.1Very high0 Ų015.4 Ų15.40%07%0.07CC..Iπ-helixtrans-72.8-43.8-177.700000114.3R378 F425 F426 I427R378-G429 WeakPolarHBondContact CD-O 3.48Å; R378-G429 PolarHBondContact NH1-O 2.98Å; F425-G429 PolarHBondContact O-N 2.99Å; F426-G429 PolarHBondContact O-N 2.89Å; I427-G429 PolarHBondContact O-N 2.96Å
430V92.1Very high91.6Very high1 Ų116.3 Ų16.31%0.0068%0.082CC..Iπ-helixtrans-75.2-46.5-176.2171.10000111.7F357 I375 F398 F401 R402 F426 S432F357-V430 HydrophobicContact CE2-CG2 4.32Å; I375-V430 HydrophobicContact CD1-CG2 3.98Å; I375-V430 HydrophobicContact CG1-CG2 4.26Å; F398-V430 HydrophobicContact CB-CG1 4Å; F398-V430 HydrophobicContact CD1-CB 4.39Å; F398-V430 HydrophobicContact CD1-CG1 4.24Å; F398-V430 HydrophobicContact CD1-CG2 3.71Å; F398-V430 HydrophobicContact CE1-CG2 3.83Å; F398-V430 HydrophobicContact CG-CB 4.41Å; F398-V430 HydrophobicContact CG-CG1 4.26Å; F398-V430 HydrophobicContact CG-CG2 4.14Å; F398-V430 HydrophobicContact CZ-CG2 4.32Å; F401-V430 HydrophobicContact CB-CG1 3.69Å; F401-V430 HydrophobicContact CG-CG1 4.46Å; R402-V430 PolarHBondContact NH1-O 2.98Å; F426-V430 HydrophobicContact CD2-CG2 3.75Å; F426-V430 HydrophobicContact CE1-CG2 4.36Å; F426-V430 HydrophobicContact CE2-CB 4.25Å; F426-V430 HydrophobicContact CE2-CG2 3.29Å; F426-V430 HydrophobicContact CG-CG2 4.4Å; F426-V430 HydrophobicContact CZ-CB 4.13Å; F426-V430 HydrophobicContact CZ-CG1 4.26Å; F426-V430 HydrophobicContact CZ-CG2 3.64Å; F426-V430 WeakPolarHBondContact O-CB 3.45Å; F426-V430 WeakPolarHBondContact O-CG2 3.49Å; F426-V430 PolarHBondContact O-N 3.35Å; V430-S432 VanDerWaalsContact C-N 3.33Å
431L91.8Very high92.1Very high6 Ų616.6 Ų16.63%0.0319%0.085CC..Iπ-helixtrans-79.1-22.4178.9-56.3-178.3000112.5R389 R402 L405 I412 I427 C433R389-L431 PolarHBondContact NH2-O 3.45Å; R402-L431 HydrophobicContact CB-CD2 4.33Å; R402-L431 VanDerWaalsContact CD-O 3.23Å; R402-L431 WeakPolarHBondContact CD-O 3.44Å; R402-L431 HydrophobicContact CG-CB 4.37Å; R402-L431 HydrophobicContact CG-CD2 3.65Å; L405-L431 HydrophobicContact CD1-CD1 3.45Å; L405-L431 VanDerWaalsContact CD1-CD1 3.45Å; L405-L431 HydrophobicContact CD1-CD2 4.05Å; L405-L431 HydrophobicContact CD1-CG 4.43Å; I412-L431 HydrophobicContact CD1-CD1 3.3Å; I427-L431 HydrophobicContact CG2-CD1 3.65Å; I427-L431 HydrophobicContact CG2-CG 4.34Å; I427-L431 VanDerWaalsContact O-CB 3.28Å; I427-L431 WeakPolarHBondContact O-CB 3.47Å; I427-L431 PolarHBondContact O-N 3.29Å; L431-C433 PolarHBondContact O-N 3.02Å
432S91.1Very high92.4Very high0 Ų011.9 Ų11.90%07%0.07CC..Iπ-helixtrans50.260.3178.6-157.70000110.7R388 R389 R428 V430R388-S432 VanDerWaalsContact C-OG 3.29Å; R388-S432 PolarHBondContact N-OG 3.49Å; R388-S432 VanDerWaalsContact N-OG 3.08Å; R388-S432 VanDerWaalsContact O-CB 3.25Å; R388-S432 WeakPolarHBondContact O-CB 3.44Å; R388-S432 PolarHBondContact O-OG 3.33Å; R389-S432 PolarHBondContact NE-O 2.76Å; R389-S432 PolarHBondContact NH2-O 2.82Å; R389-S432 VanDerWaalsContact NH2-O 3.17Å; R428-S432 WeakPolarHBondContact O-CA 3.3Å; R428-S432 PolarHBondContact O-N 2.89Å; V430-S432 VanDerWaalsContact C-N 3.33Å
433C92Very high92.9Very high0 Ų09.8 Ų9.80%06%0.058CC..SBendtrans-151158.2173.257.70000109.6Y387 T410 L431 V435Y387-C433 VanDerWaalsContact CD1-C 3.5Å; Y387-C433 VanDerWaalsContact CD1-CA 3.43Å; T410-C433 VanDerWaalsContact O-CB 3.27Å; T410-C433 WeakPolarHBondContact O-CB 3.45Å; L431-C433 PolarHBondContact O-N 3.02Å; C433-V435 PolarHBondContact O-N 3.23Å
434P91.6Very high93.3Very high1 Ų19.7 Ų9.71%0.0066%0.058CC..  trans-54.9137.6168.9-20.528.4000111.3V37 Y387 T410 I412 F453V37-P434 HydrophobicContact CG2-CG 4.3Å; Y387-P434 HydrophobicContact CE1-CB 4.45Å; Y387-P434 VanDerWaalsContact CE1-CD 3.46Å; Y387-P434 HydrophobicContact CE1-CG 3.92Å; Y387-P434 HydrophobicContact CE2-CG 3.92Å; Y387-P434 WeakPolarHBondContact OH-CG 3.19Å; T410-P434 VanDerWaalsContact O-CD 3.32Å; T410-P434 WeakPolarHBondContact O-CD 3.32Å; I412-P434 PolarHBondContact N-O 2.85Å; P434-F453 HydrophobicContact CB-CB 3.98Å; P434-F453 HydrophobicContact CB-CD1 3.57Å; P434-F453 HydrophobicContact CB-CD2 3.92Å; P434-F453 HydrophobicContact CB-CE1 3.99Å; P434-F453 HydrophobicContact CB-CE2 4.3Å; P434-F453 HydrophobicContact CB-CG 3.53Å; P434-F453 HydrophobicContact CB-CZ 4.33Å; P434-F453 HydrophobicContact CG-CB 3.95Å; P434-F453 HydrophobicContact CG-CD1 4Å; P434-F453 HydrophobicContact CG-CD2 3.37Å; P434-F453 HydrophobicContact CG-CE1 4.34Å; P434-F453 HydrophobicContact CG-CE2 3.76Å; P434-F453 HydrophobicContact CG-CG 3.49Å; P434-F453 VanDerWaalsContact CG-CG 3.49Å; P434-F453 HydrophobicContact CG-CZ 4.23Å
435V93.8Very high93.4Very high3 Ų39.7 Ų9.72%0.0186%0.058CC..EExtended strand (participates in β ladder)trans-123.2111.4169.9-1740000106.7I412 L424 I427 R428 C433I412-V435 HydrophobicContact CB-CB 4.5Å; I412-V435 HydrophobicContact CB-CG1 4.24Å; I412-V435 HydrophobicContact CB-CG2 4.24Å; I412-V435 HydrophobicContact CD1-CG2 4.44Å; I412-V435 HydrophobicContact CG2-CG1 4.16Å; I412-V435 WeakPolarHBondContact O-CA 3.31Å; L424-V435 HydrophobicContact CD1-CB 3.82Å; L424-V435 HydrophobicContact CD1-CG1 3.55Å; I427-V435 HydrophobicContact CB-CG2 4.47Å; I427-V435 HydrophobicContact CG2-CG2 3.7Å; R428-V435 HydrophobicContact CB-CG2 4.5Å; R428-V435 HydrophobicContact CG-CB 3.88Å; R428-V435 HydrophobicContact CG-CG2 3.6Å; R428-V435 PolarHBondContact NH2-O 2.59Å; C433-V435 PolarHBondContact O-N 3.23Å
436I92.4Very high92.8Very high4 Ų49.2 Ų9.22%0.0216%0.061CC..EExtended strand (participates in β ladder)trans-95128.5-177.1-57.8164.1000109.2L283 I412 I413 S414 V438 T451 F453L283-I436 HydrophobicContact CD2-CD1 4.35Å; I412-I436 PolarHBondContact O-N 3.11Å; I413-I436 CarbonylContact C-O 3.4Å; I413-I436 HydrophobicContact CG1-CB 4.31Å; I413-I436 HydrophobicContact CG1-CD1 4.11Å; S414-I436 PolarHBondContact N-O 3.45Å; I436-V438 HydrophobicContact CG2-CG2 3.78Å; I436-T451 WeakPolarHBondContact CA-OG1 3.38Å; I436-T451 WeakPolarHBondContact CG2-O 3.42Å; I436-F453 HydrophobicContact CD1-CD1 3.78Å; I436-F453 HydrophobicContact CD1-CE1 3.37Å; I436-F453 HydrophobicContact CG1-CD1 3.87Å; I436-F453 HydrophobicContact CG1-CE1 3.93Å
437E93.8Very high92.7Very high8 Ų89.7 Ų9.74%0.0376%0.063CC..EExtended strand (participates in β ladder)trans-89.3130.2165.6-64.5-172.371.700109.4S414 I419 L424 S450 T451S414-E437 WeakPolarHBondContact O-CA 3.43Å; I419-E437 VanDerWaalsContact CG2-CD 3.48Å; I419-E437 HydrophobicContact CG2-CG 3.91Å; I419-E437 WeakPolarHBondContact CG2-OE1 3.35Å; L424-E437 VanDerWaalsContact CD2-OE2 3.29Å; L424-E437 WeakPolarHBondContact CD2-OE2 3.38Å; E437-S450 CarbonylContact O-C 3.6Å; E437-S450 VanDerWaalsContact O-CA 3.25Å; E437-S450 WeakPolarHBondContact O-CA 3.46Å; E437-T451 HydrophobicContact CB-CG2 4.09Å; E437-T451 PolarHBondContact N-OG1 2.81Å; E437-T451 PolarHBondContact O-N 3.3Å
438V93.7Very high92.8Very high18 Ų189.7 Ų9.711%0.1096%0.063CC..EExtended strand (participates in β ladder)trans-122138-179.5179.70000110.2I413 S414 I436 L447I413-V438 HydrophobicContact CG2-CB 4.31Å; I413-V438 HydrophobicContact CG2-CG2 3.73Å; S414-V438 PolarHBondContact O-N 2.75Å; I436-V438 HydrophobicContact CG2-CG2 3.78Å; V438-L447 HydrophobicContact CG1-CD2 3.58Å
439Y95.4Very high92.9Very high19 Ų199.5 Ų9.58%0.0756%0.063CC..EExtended strand (participates in β ladder)trans-116.6142.2174.9174.9-111.1000112.3G446 V448 S449 V461 I490 I492 D522 L532 I534Y439-G446 CarbonylContact C-O 3.59Å; Y439-V448 HydrophobicContact CD1-CB 3.92Å; Y439-V448 HydrophobicContact CD1-CG1 3.91Å; Y439-V448 HydrophobicContact CE1-CB 4.37Å; Y439-V448 HydrophobicContact CE1-CG1 4.1Å; Y439-V448 WeakPolarHBondContact O-CB 3.24Å; Y439-V448 PolarHBondContact O-N 2.84Å; Y439-S449 PolarHBondContact N-O 2.9Å; Y439-S449 PolarHBondContact O-N 3.05Å; Y439-V461 HydrophobicContact CD1-CG2 4.45Å; Y439-V461 HydrophobicContact CG-CG2 4.11Å; Y439-I490 HydrophobicContact CE1-CD1 4.24Å; Y439-I490 HydrophobicContact CE1-CG2 4.26Å; Y439-I492 HydrophobicContact CE1-CD1 4.11Å; Y439-D522 WeakPolarHBondContact CE2-OD2 3.43Å; Y439-D522 WeakPolarHBondContact OH-CB 3.5Å; Y439-D522 PolarHBondContact OH-OD2 3.33Å; Y439-D522 VanDerWaalsContact OH-OD2 3.06Å; Y439-L532 HydrophobicContact CD1-CD2 3.97Å; Y439-L532 HydrophobicContact CE1-CD2 4.16Å; Y439-I534 HydrophobicContact CD1-CD1 4Å; Y439-I534 HydrophobicContact CD2-CD1 3.7Å; Y439-I534 HydrophobicContact CD2-CG1 3.9Å; Y439-I534 HydrophobicContact CE1-CD1 3.94Å; Y439-I534 HydrophobicContact CE2-CD1 3.64Å; Y439-I534 HydrophobicContact CE2-CG1 4.13Å; Y439-I534 HydrophobicContact CG-CD1 3.89Å; Y439-I534 HydrophobicContact CG-CG1 4.31Å
440G93.9Very high93Very high27 Ų279.5 Ų9.528%0.2786%0.063SC..  trans164.2175.2172.300000111.1G446G440-G446 WeakPolarHBondContact CA-O 3.46Å
441S93.4Very high93Very high28 Ų289.5 Ų9.520%0.1966%0.062CC..  trans-129.8175.2178.882.10000111E443 T444 L445 G446S441-E443 VanDerWaalsContact CB-OE2 3.27Å; S441-E443 WeakPolarHBondContact CB-OE2 3.28Å; S441-E443 PolarHBondContact O-N 3.43Å; S441-E443 PolarHBondContact OG-N 3.45Å; S441-E443 PolarHBondContact OG-OE2 3.25Å; S441-T444 PolarHBondContact N-OG1 3.31Å; S441-T444 VanDerWaalsContact N-OG1 3.09Å; S441-T444 CarbonylContact O-C 3.59Å; S441-T444 PolarHBondContact O-N 2.75Å; S441-T444 PolarHBondContact O-OG1 3.14Å; S441-L445 PolarHBondContact O-N 3.23Å; S441-L445 VanDerWaalsContact O-N 3.1Å; S441-G446 WeakPolarHBondContact O-CA 3.41Å; S441-G446 PolarHBondContact O-N 2.9Å
442T93.8Very high92.7Very high23 Ų239.4 Ų9.414%0.1416%0.062CC..G310 helixtrans-61.6-37.7174.9-540000111.3L254 T256 V266 T444 L445L254-T442 HydrophobicContact CB-CG2 3.62Å; L254-T442 HydrophobicContact CD1-CG2 3.83Å; L254-T442 HydrophobicContact CG-CG2 4.4Å; T256-T442 HydrophobicContact CG2-CG2 3.69Å; T256-T442 WeakPolarHBondContact CG2-OG1 3.32Å; V266-T442 HydrophobicContact CB-CG2 3.95Å; V266-T442 HydrophobicContact CG1-CG2 4.15Å; V266-T442 HydrophobicContact CG2-CG2 3.88Å; T442-T444 PolarHBondContact O-N 2.62Å; T442-L445 PolarHBondContact O-N 2.89Å
443E96Very high92.4Very high27 Ų2710.1 Ų10.113%0.1267%0.065CC..G310 helixtrans-66.2-21.6179.7-59.778-173.700113V266 S441 N497 M498 Y501 V518V266-E443 HydrophobicContact CG2-CG 4.23Å; S441-E443 VanDerWaalsContact CB-OE2 3.27Å; S441-E443 WeakPolarHBondContact CB-OE2 3.28Å; S441-E443 PolarHBondContact O-N 3.43Å; S441-E443 PolarHBondContact OG-N 3.45Å; S441-E443 PolarHBondContact OG-OE2 3.25Å; E443-N497 WeakPolarHBondContact O-CA 3.21Å; E443-M498 HydrophobicContact CB-CG 4.19Å; E443-M498 HydrophobicContact CB-SD 3.89Å; E443-M498 HydrophobicContact CG-SD 3.77Å; E443-M498 PolarHBondContact O-N 3.35Å; E443-Y501 HydrophobicContact CG-CE1 4.34Å; E443-Y501 PolarHBondContact OE1-OH 3.21Å; E443-V518 HydrophobicContact CB-CG1 3.95Å
444T96.4Very high91.7Very high0 Ų010.7 Ų10.70%07%0.068CC..G310 helixtrans-107.49172.270.80000112.8S441 T442 G446 V448 I492 V518S441-T444 PolarHBondContact N-OG1 3.31Å; S441-T444 VanDerWaalsContact N-OG1 3.09Å; S441-T444 CarbonylContact O-C 3.59Å; S441-T444 PolarHBondContact O-N 2.75Å; S441-T444 PolarHBondContact O-OG1 3.14Å; T442-T444 PolarHBondContact O-N 2.62Å; T444-G446 PolarHBondContact O-N 3.17Å; T444-V448 HydrophobicContact CG2-CG2 4.18Å; T444-V448 VanDerWaalsContact OG1-CG2 3.3Å; T444-V448 WeakPolarHBondContact OG1-CG2 3.4Å; T444-I492 HydrophobicContact CG2-CB 4.27Å; T444-I492 HydrophobicContact CG2-CD1 3.93Å; T444-I492 HydrophobicContact CG2-CG2 4.23Å; T444-V518 HydrophobicContact CG2-CB 4.27Å; T444-V518 HydrophobicContact CG2-CG1 4.09Å
445L94.1Very high91.5Very high0 Ų010.9 Ų10.90%07%0.069CC..THydrogen-bonded Turntrans50.841.3-172.6-14957.3000113.7L254 I268 Y273 A276 A305 L309 S441 T442 L447 C496L254-L445 HydrophobicContact CD1-CD1 4.22Å; I268-L445 HydrophobicContact CD1-CD1 3.76Å; I268-L445 HydrophobicContact CG1-CD1 3.97Å; I268-L445 HydrophobicContact CG2-CD1 4.15Å; I268-L445 HydrophobicContact CG2-CD2 3.73Å; Y273-L445 VanDerWaalsContact CA-CD2 3.48Å; Y273-L445 HydrophobicContact CD2-CD2 4.13Å; Y273-L445 HydrophobicContact CG-CD2 4.44Å; A276-L445 HydrophobicContact CB-CB 4.12Å; A276-L445 HydrophobicContact CB-CD2 3.76Å; A276-L445 HydrophobicContact CB-CG 4Å; A305-L445 HydrophobicContact CB-CD1 4.08Å; L309-L445 VanDerWaalsContact CD1-O 3.23Å; L309-L445 WeakPolarHBondContact CD1-O 3.32Å; S441-L445 PolarHBondContact O-N 3.23Å; S441-L445 VanDerWaalsContact O-N 3.1Å; T442-L445 PolarHBondContact O-N 2.89Å; L445-L447 VanDerWaalsContact C-N 3.35Å; L445-L447 PolarHBondContact O-N 3.13Å; L445-C496 HydrophobicContact CB-CB 4.46Å; L445-C496 WeakPolarHBondContact CB-O 3.39Å
446G80.7Confident91.2Very high17 Ų1711 Ų1118%0.1757%0.069CC..THydrogen-bonded Turntrans83.4-22162.600000117.5Y439 G440 S441 T444Y439-G446 CarbonylContact C-O 3.59Å; G440-G446 WeakPolarHBondContact CA-O 3.46Å; S441-G446 WeakPolarHBondContact O-CA 3.41Å; S441-G446 PolarHBondContact O-N 2.9Å; T444-G446 PolarHBondContact O-N 3.17Å
447L89.9Confident91Very high17 Ų1715.2 Ų15.29%0.0899%0.092CC..  trans-119.1103.5-171.2-64.3-178.5000113.2A276 L279 T280 L309 V438 L445 F465A276-L447 WeakPolarHBondContact O-CD1 3.39Å; L279-L447 HydrophobicContact CB-CB 4.44Å; L279-L447 HydrophobicContact CB-CD1 3.93Å; L279-L447 HydrophobicContact CD1-CB 4.25Å; T280-L447 WeakPolarHBondContact OG1-CD1 3.49Å; L309-L447 HydrophobicContact CD1-CD1 3.8Å; L309-L447 HydrophobicContact CD1-CG 3.79Å; V438-L447 HydrophobicContact CG1-CD2 3.58Å; L445-L447 VanDerWaalsContact C-N 3.35Å; L445-L447 PolarHBondContact O-N 3.13Å; L447-F465 HydrophobicContact CB-CD2 4.09Å; L447-F465 HydrophobicContact CB-CE2 4.06Å; L447-F465 HydrophobicContact CD2-CE2 4.06Å; L447-F465 HydrophobicContact CD2-CZ 4.34Å
448V96.6Very high90.7Very high1 Ų115.5 Ų15.51%0.00610%0.096CC..SBendtrans-120.5-49.7-179.4176.20000110.8Y439 T444 F465 V468 I470 I492Y439-V448 HydrophobicContact CD1-CB 3.92Å; Y439-V448 HydrophobicContact CD1-CG1 3.91Å; Y439-V448 HydrophobicContact CE1-CB 4.37Å; Y439-V448 HydrophobicContact CE1-CG1 4.1Å; Y439-V448 WeakPolarHBondContact O-CB 3.24Å; Y439-V448 PolarHBondContact O-N 2.84Å; T444-V448 HydrophobicContact CG2-CG2 4.18Å; T444-V448 VanDerWaalsContact OG1-CG2 3.3Å; T444-V448 WeakPolarHBondContact OG1-CG2 3.4Å; V448-F465 PolarHBondContact O-N 3.47Å; V448-V468 HydrophobicContact CG1-CG1 4.11Å; V448-I470 HydrophobicContact CG1-CD1 3.47Å; V448-I470 VanDerWaalsContact CG1-CD1 3.47Å; V448-I470 HydrophobicContact CG1-CG1 4.26Å; V448-I492 HydrophobicContact CB-CD1 4.16Å; V448-I492 HydrophobicContact CG1-CD1 3.52Å; V448-I492 HydrophobicContact CG1-CG1 4.05Å; V448-I492 HydrophobicContact CG1-CG2 4.26Å; V448-I492 HydrophobicContact CG2-CD1 3.59Å; V448-I492 HydrophobicContact CG2-CG2 4.33Å
449S95.9Very high90.3Very high0 Ų019.2 Ų19.20%011%0.112CC..EExtended strand (participates in β ladder)trans-146.9159.4174.6680000111.6Y439 V461 A463Y439-S449 PolarHBondContact N-O 2.9Å; Y439-S449 PolarHBondContact O-N 3.05Å; S449-V461 CarbonylContact C-O 3.51Å; S449-V461 VanDerWaalsContact CB-O 3.27Å; S449-V461 WeakPolarHBondContact CB-O 3.29Å; S449-V461 VanDerWaalsContact OG-CG2 3.28Å; S449-V461 WeakPolarHBondContact OG-CG2 3.4Å; S449-V461 PolarHBondContact OG-O 2.75Å; S449-A463 CarbonylContact C-O 3.51Å; S449-A463 WeakPolarHBondContact CA-O 3.29Å; S449-A463 WeakPolarHBondContact CB-O 3.09Å
450S94.5Very high90.3Very high0 Ų018.5 Ų18.50%011%0.109CC..EExtended strand (participates in β ladder)trans-148.7151.517466.40000112.5L283 E437 V461 G462 A463 F465L283-S450 WeakPolarHBondContact CD1-OG 3.19Å; E437-S450 CarbonylContact O-C 3.6Å; E437-S450 VanDerWaalsContact O-CA 3.25Å; E437-S450 WeakPolarHBondContact O-CA 3.46Å; S450-V461 CarbonylContact C-O 3.6Å; S450-V461 WeakPolarHBondContact CA-O 3.26Å; S450-V461 PolarHBondContact N-O 3.12Å; S450-G462 CarbonylContact O-C 3.5Å; S450-G462 WeakPolarHBondContact O-CA 3.28Å; S450-A463 PolarHBondContact N-O 2.86Å; S450-A463 PolarHBondContact O-N 3.42Å; S450-F465 WeakPolarHBondContact OG-CZ 3.3Å
451T92.7Very high90.3Very high0 Ų018 Ų180%010%0.1CC..  trans-69157.5162.766.60000110.6I436 E437 H460I436-T451 WeakPolarHBondContact CA-OG1 3.38Å; I436-T451 WeakPolarHBondContact CG2-O 3.42Å; E437-T451 HydrophobicContact CB-CG2 4.09Å; E437-T451 PolarHBondContact N-OG1 2.81Å; E437-T451 PolarHBondContact O-N 3.3Å; T451-H460 WeakPolarHBondContact CG2-O 3.44Å
452M85.6Confident90.3Very high4 Ų416.6 Ų16.62%0.029%0.091CC..  trans-96.4166.8175.6-58.7-56.1-78.100110.7V40 E286 E454 D455V40-M452 HydrophobicContact CG1-CE 3.88Å; V40-M452 HydrophobicContact CG2-CE 4.41Å; E286-M452 HydrophobicContact CB-CE 4.05Å; M452-E454 VanDerWaalsContact C-N 3.26Å; M452-E454 PolarHBondContact O-N 3.14Å; M452-D455 HydrophobicContact CB-CB 4.34Å; M452-D455 WeakPolarHBondContact O-CB 3.27Å; M452-D455 PolarHBondContact O-N 3.47Å
453F84.6Confident90.3Very high15 Ų1515.5 Ų15.57%0.0668%0.084CC..THydrogen-bonded Turntrans-59.6-33.1-179.4-82.118.9000113.1V37 N287 F289 Y387 A411 P434 I436V37-F453 HydrophobicContact CB-CD2 4.4Å; V37-F453 HydrophobicContact CG1-CB 3.84Å; V37-F453 HydrophobicContact CG1-CD2 3.67Å; V37-F453 HydrophobicContact CG1-CG 4.26Å; V37-F453 HydrophobicContact CG2-CD2 3.81Å; N287-F453 HydrophobicContact CB-CD1 3.63Å; N287-F453 HydrophobicContact CB-CD2 3.77Å; N287-F453 HydrophobicContact CB-CE1 3.62Å; N287-F453 HydrophobicContact CB-CE2 3.79Å; N287-F453 HydrophobicContact CB-CG 3.72Å; N287-F453 HydrophobicContact CB-CZ 3.72Å; N287-F453 WeakPolarHBondContact OD1-CB 3.25Å; N287-F453 VanDerWaalsContact OD1-CD1 3.26Å; N287-F453 WeakPolarHBondContact OD1-CD1 3.26Å; N287-F453 WeakPolarHBondContact OD1-CG 3.39Å; N287-F453 PolarHBondContact OD1-N 2.79Å; F289-F453 HydrophobicContact CB-CE2 4.28Å; F289-F453 HydrophobicContact CB-CZ 4.03Å; F289-F453 HydrophobicContact CD2-CE2 4.19Å; F289-F453 AromaticContact CD2-CZ 3.85Å; F289-F453 HydrophobicContact CD2-CZ 3.85Å; F289-F453 HydrophobicContact CG-CZ 4.34Å; Y387-F453 PolarHBondContact OH-O 3.06Å; A411-F453 HydrophobicContact CB-CE1 4.24Å; A411-F453 HydrophobicContact CB-CE2 4.48Å; A411-F453 HydrophobicContact CB-CZ 3.74Å; P434-F453 HydrophobicContact CB-CB 3.98Å; P434-F453 HydrophobicContact CB-CD1 3.57Å; P434-F453 HydrophobicContact CB-CD2 3.92Å; P434-F453 HydrophobicContact CB-CE1 3.99Å; P434-F453 HydrophobicContact CB-CE2 4.3Å; P434-F453 HydrophobicContact CB-CG 3.53Å; P434-F453 HydrophobicContact CB-CZ 4.33Å; P434-F453 HydrophobicContact CG-CB 3.95Å; P434-F453 HydrophobicContact CG-CD1 4Å; P434-F453 HydrophobicContact CG-CD2 3.37Å; P434-F453 HydrophobicContact CG-CE1 4.34Å; P434-F453 HydrophobicContact CG-CE2 3.76Å; P434-F453 HydrophobicContact CG-CG 3.49Å; P434-F453 VanDerWaalsContact CG-CG 3.49Å; P434-F453 HydrophobicContact CG-CZ 4.23Å; I436-F453 HydrophobicContact CD1-CD1 3.78Å; I436-F453 HydrophobicContact CD1-CE1 3.37Å; I436-F453 HydrophobicContact CG1-CD1 3.87Å; I436-F453 HydrophobicContact CG1-CE1 3.93Å
454E77.8Confident90.3Very high12 Ų1214.2 Ų14.26%0.0568%0.078CC..THydrogen-bonded Turntrans-86.2-10.9177-60.279.1-176.400113.7V37 K38 K39 V40 T43 M452 V456V37-E454 WeakPolarHBondContact CG1-OE1 3.28Å; K38-E454 VanDerWaalsContact C-OE1 3.27Å; K39-E454 WeakPolarHBondContact CA-OE1 3.18Å; V40-E454 WeakPolarHBondContact CB-OE2 3.3Å; V40-E454 VanDerWaalsContact CG2-OE2 3.28Å; V40-E454 WeakPolarHBondContact CG2-OE2 3.36Å; V40-E454 PolarHBondContact N-OE1 3.06Å; T43-E454 HydrophobicContact CG2-CB 4.41Å; M452-E454 VanDerWaalsContact C-N 3.26Å; M452-E454 PolarHBondContact O-N 3.14Å; E454-V456 VanDerWaalsContact C-N 3.29Å; E454-V456 PolarHBondContact O-N 3.27Å
455D86.7Confident90.3Very high6 Ų614.2 Ų14.23%0.0328%0.078CC..  trans-80.382.7179.6-166.8-10000109.5Q46 R428 M452 D457 H460Q46-D455 PolarHBondContact NE2-OD2 2.81Å; R428-D455 PolarHBondContact NH2-O 2.86Å; R428-D455 VanDerWaalsContact NH2-O 3.09Å; M452-D455 HydrophobicContact CB-CB 4.34Å; M452-D455 WeakPolarHBondContact O-CB 3.27Å; M452-D455 PolarHBondContact O-N 3.47Å; D455-D457 VanDerWaalsContact C-N 3.26Å; D455-D457 PolarHBondContact OD1-N 3.01Å; D455-H460 IonicContact OD1-CE1 2.63Å; D455-H460 PolarHBondContact OD1-CE1 3.03Å; D455-H460 VanDerWaalsContact OD1-CE1 3.27Å; D455-H460 IonicContact OD1-NE2 3.51Å; D455-H460 PolarHBondContact OD1-NE2 2.85Å; D455-H460 IonicContact OD2-CE1 3.36Å; D455-H460 PolarHBondContact OD2-CE1 3.39Å; D455-H460 IonicContact OD2-ND1 3.35Å; D455-H460 IonicContact OD2-NE2 2.72Å
456V86.8Confident90.2Very high5 Ų514.5 Ų14.53%0.038%0.08CC..  trans-86.43.2-179.7-51.70000113.1I379 Q382 K383 F425 R428 E454I379-V456 HydrophobicContact CG2-CB 4.38Å; I379-V456 HydrophobicContact CG2-CG2 4.19Å; Q382-V456 HydrophobicContact CB-CG1 3.71Å; K383-V456 HydrophobicContact CB-CG2 4.47Å; K383-V456 HydrophobicContact CD-CG2 4.11Å; K383-V456 HydrophobicContact CG-CG1 4.49Å; K383-V456 HydrophobicContact CG-CG2 3.28Å; F425-V456 WeakPolarHBondContact CE1-O 3.12Å; R428-V456 VanDerWaalsContact NH1-CA 3.32Å; R428-V456 PolarHBondContact NH1-O 3.15Å; E454-V456 VanDerWaalsContact C-N 3.29Å; E454-V456 PolarHBondContact O-N 3.27Å
457D88.3Confident90.8Very high92 Ų9216.6 Ų16.649%0.49210%0.101SC..  trans-69.6171.6171-74.5-24.7000109.9R428 D455 H460R428-D457 PolarHBondContact NH1-O 3.09Å; D455-D457 VanDerWaalsContact C-N 3.26Å; D455-D457 PolarHBondContact OD1-N 3.01Å; D457-H460 WeakPolarHBondContact CB-NE2 3.11Å
458A88.4Confident91.1Very high15 Ų1515.9 Ų15.912%0.12410%0.098CC..  trans-130.3170.1-173.700000110.3R421 L424 F425 H460R421-A458 HydrophobicContact CB-CB 4Å; R421-A458 HydrophobicContact CG-CB 3.8Å; L424-A458 HydrophobicContact CD2-CB 3.89Å; F425-A458 HydrophobicContact CE1-CB 4.01Å; A458-H460 VanDerWaalsContact C-N 3.29Å; A458-H460 PolarHBondContact O-CD2 3.04Å; A458-H460 PolarHBondContact O-N 2.78Å
459H85.8Confident91.2Very high95 Ų9518.2 Ų18.244%0.4411%0.109SC..SBendtrans67.922.9175.2-47.1-67000114.7K533H459-K533 WeakPolarHBondContact O-CD 3.27Å; H459-K533 WeakPolarHBondContact O-CG 3.27Å
460H93.6Very high91.3Very high5 Ų518.2 Ų18.22%0.02311%0.109CC..  trans-143.8159.9170.362.274.1000109.9T451 D455 D457 A458 G462 L527 A531 L532 K533T451-H460 WeakPolarHBondContact CG2-O 3.44Å; D455-H460 IonicContact OD1-CE1 2.63Å; D455-H460 PolarHBondContact OD1-CE1 3.03Å; D455-H460 VanDerWaalsContact OD1-CE1 3.27Å; D455-H460 IonicContact OD1-NE2 3.51Å; D455-H460 PolarHBondContact OD1-NE2 2.85Å; D455-H460 IonicContact OD2-CE1 3.36Å; D455-H460 PolarHBondContact OD2-CE1 3.39Å; D455-H460 IonicContact OD2-ND1 3.35Å; D455-H460 IonicContact OD2-NE2 2.72Å; D457-H460 WeakPolarHBondContact CB-NE2 3.11Å; A458-H460 VanDerWaalsContact C-N 3.29Å; A458-H460 PolarHBondContact O-CD2 3.04Å; A458-H460 PolarHBondContact O-N 2.78Å; H460-G462 PolarHBondContact ND1-N 2.87Å; H460-L527 HydrophobicContact CB-CD1 3.81Å; H460-A531 HydrophobicContact CB-CB 4.38Å; H460-L532 WeakPolarHBondContact CB-O 3.43Å; H460-K533 HydrophobicContact CB-CB 4.13Å
461V94.6Very high91.5Very high15 Ų1519.3 Ų19.39%0.09111%0.114CC..  trans-10817.6179.7-65.90000111.4Y439 S449 S450 L532 I534Y439-V461 HydrophobicContact CD1-CG2 4.45Å; Y439-V461 HydrophobicContact CG-CG2 4.11Å; S449-V461 CarbonylContact C-O 3.51Å; S449-V461 VanDerWaalsContact CB-O 3.27Å; S449-V461 WeakPolarHBondContact CB-O 3.29Å; S449-V461 VanDerWaalsContact OG-CG2 3.28Å; S449-V461 WeakPolarHBondContact OG-CG2 3.4Å; S449-V461 PolarHBondContact OG-O 2.75Å; S450-V461 CarbonylContact C-O 3.6Å; S450-V461 WeakPolarHBondContact CA-O 3.26Å; S450-V461 PolarHBondContact N-O 3.12Å; V461-L532 HydrophobicContact CG2-CB 4.02Å; V461-L532 HydrophobicContact CG2-CD2 4.05Å; V461-L532 HydrophobicContact CG2-CG 3.92Å; V461-L532 WeakPolarHBondContact CG2-O 3.3Å; V461-L532 PolarHBondContact N-O 2.64Å; V461-I534 HydrophobicContact CG1-CG1 4.07Å; V461-I534 HydrophobicContact CG2-CD1 3.88Å; V461-I534 HydrophobicContact CG2-CG1 3.84Å
462G93.9Very high91.7Very high0 Ų020 Ų200%012%0.117CC..  trans73.2-144.8160.500000115.3S450 H460 L532S450-G462 CarbonylContact O-C 3.5Å; S450-G462 WeakPolarHBondContact O-CA 3.28Å; H460-G462 PolarHBondContact ND1-N 2.87Å; G462-L532 PolarHBondContact O-N 3.11Å
463A94.6Very high92.3Very high0 Ų022 Ų220%013%0.128CC..EExtended strand (participates in β ladder)trans-84144.6-169.400000112.5Q46 R61 S449 S450Q46-A463 HydrophobicContact CB-CB 3.76Å; Q46-A463 HydrophobicContact CG-CB 4.22Å; Q46-A463 WeakPolarHBondContact O-CA 3.45Å; Q46-A463 WeakPolarHBondContact O-CB 3.41Å; Q46-A463 VanDerWaalsContact OE1-N 3.08Å; R61-A463 PolarHBondContact NH2-O 3.31Å; S449-A463 CarbonylContact C-O 3.51Å; S449-A463 WeakPolarHBondContact CA-O 3.29Å; S449-A463 WeakPolarHBondContact CB-O 3.09Å; S450-A463 PolarHBondContact N-O 2.86Å; S450-A463 PolarHBondContact O-N 3.42Å
464I95.8Very high92.8Very high0 Ų024.7 Ų24.70%014%0.143CC..EExtended strand (participates in β ladder)trans-64.7138.7176.1-56.2177.9000109.5Q46 R57 S59 R61 V468 I470 W526Q46-I464 PolarHBondContact O-N 3.35Å; R57-I464 HydrophobicContact CB-CD1 3.77Å; S59-I464 WeakPolarHBondContact CB-O 3.31Å; S59-I464 PolarHBondContact OG-O 2.71Å; R61-I464 PolarHBondContact NE-O 3.5Å; R61-I464 VanDerWaalsContact NE-O 3.1Å; R61-I464 PolarHBondContact NH2-O 3.37Å; I464-V468 HydrophobicContact CG2-CB 3.71Å; I464-V468 HydrophobicContact CG2-CG1 3.93Å; I464-V468 VanDerWaalsContact CG2-O 3.28Å; I464-V468 WeakPolarHBondContact CG2-O 3.37Å; I464-I470 HydrophobicContact CD1-CB 4.27Å; I464-I470 HydrophobicContact CD1-CD1 4.07Å; I464-I470 HydrophobicContact CD1-CG1 4.15Å; I464-I470 HydrophobicContact CG1-CD1 3.9Å; I464-I470 HydrophobicContact CG1-CG1 4.46Å; I464-I470 HydrophobicContact CG2-CD1 4.29Å; I464-I470 HydrophobicContact CG2-CG1 4.4Å; I464-W526 HydrophobicContact CD1-CH2 3.58Å; I464-W526 HydrophobicContact CD1-CZ3 4.04Å; I464-W526 HydrophobicContact CG1-CH2 4.11Å; I464-W526 HydrophobicContact CG1-CZ3 4.26Å
465F94.6Very high93.5Very high0 Ų024.2 Ų24.20%014%0.14CC..PPolyproline II helixtrans-70.2148.4174.9-84.8-70.6000112.5S59 R61 L279 L283 L447 V448 S450 G467 V468S59-F465 VanDerWaalsContact CB-O 3.31Å; S59-F465 WeakPolarHBondContact CB-O 3.36Å; R61-F465 VanDerWaalsContact NH2-CA 3.34Å; L279-F465 HydrophobicContact CB-CD1 4.23Å; L279-F465 HydrophobicContact CB-CG 4.45Å; L279-F465 HydrophobicContact CD1-CB 3.95Å; L279-F465 HydrophobicContact CD1-CG 4.34Å; L279-F465 HydrophobicContact CD2-CB 4.2Å; L283-F465 HydrophobicContact CB-CE1 3.94Å; L283-F465 HydrophobicContact CB-CZ 4.32Å; L283-F465 HydrophobicContact CD1-CE1 4.05Å; L283-F465 HydrophobicContact CD1-CZ 4.07Å; L283-F465 HydrophobicContact CD2-CZ 4.18Å; L283-F465 HydrophobicContact CG-CE1 4.42Å; L283-F465 HydrophobicContact CG-CZ 4.42Å; L447-F465 HydrophobicContact CB-CD2 4.09Å; L447-F465 HydrophobicContact CB-CE2 4.06Å; L447-F465 HydrophobicContact CD2-CE2 4.06Å; L447-F465 HydrophobicContact CD2-CZ 4.34Å; V448-F465 PolarHBondContact O-N 3.47Å; S450-F465 WeakPolarHBondContact OG-CZ 3.3Å; F465-G467 PolarHBondContact O-N 3.19Å; F465-V468 HydrophobicContact CB-CB 4.48Å; F465-V468 HydrophobicContact CB-CG2 3.82Å; F465-V468 WeakPolarHBondContact O-CB 3.41Å; F465-V468 PolarHBondContact O-N 3.13Å
466P92.6Very high93.5Very high5 Ų527.7 Ų27.73%0.03216%0.163CC..THydrogen-bonded Turntrans-48.8132.8174.8-29.535.7000113.3R61 L63 L279 V468R61-P466 HydrophobicContact CB-CG 4.01Å; L63-P466 HydrophobicContact CB-CB 4.43Å; L63-P466 HydrophobicContact CD1-CB 3.67Å; L63-P466 HydrophobicContact CG-CB 3.57Å; L63-P466 HydrophobicContact CG-CG 4.21Å; L279-P466 HydrophobicContact CD2-CB 4.49Å; L279-P466 VanDerWaalsContact CD2-O 3.28Å; L279-P466 WeakPolarHBondContact CD2-O 3.43Å; P466-V468 PolarHBondContact O-N 2.92Å
467G93.4Very high93.4Very high61 Ų6134.2 Ų34.263%0.62919%0.194SC*.THydrogen-bonded Turntrans74.2-1.8179.600000115.5F465F465-G467 PolarHBondContact O-N 3.19Å
468V97Very high92.9Very high3 Ų331.8 Ų31.82%0.01818%0.18CC..  trans-87.5137.7169.1-178.30000109.2L279 V448 I464 F465 P466 I470 I492L279-V468 HydrophobicContact CD1-CG2 4.08Å; V448-V468 HydrophobicContact CG1-CG1 4.11Å; I464-V468 HydrophobicContact CG2-CB 3.71Å; I464-V468 HydrophobicContact CG2-CG1 3.93Å; I464-V468 VanDerWaalsContact CG2-O 3.28Å; I464-V468 WeakPolarHBondContact CG2-O 3.37Å; F465-V468 HydrophobicContact CB-CB 4.48Å; F465-V468 HydrophobicContact CB-CG2 3.82Å; F465-V468 WeakPolarHBondContact O-CB 3.41Å; F465-V468 PolarHBondContact O-N 3.13Å; P466-V468 PolarHBondContact O-N 2.92Å; V468-I470 HydrophobicContact CG1-CD1 4.49Å; V468-I470 HydrophobicContact CG1-CG1 4.12Å; V468-I492 HydrophobicContact CG1-CG2 3.83Å
469Q97.7Very high92.5Very high49 Ų4932 Ų3223%0.22918%0.184CC..EExtended strand (participates in β ladder)trans-122.4137.8175.3-60.5179.1-29.800109.7I50 L56 R57 I492 R493I50-Q469 HydrophobicContact CD1-CG 4.47Å; L56-Q469 HydrophobicContact CD1-CB 4.01Å; L56-Q469 HydrophobicContact CG-CB 4.43Å; R57-Q469 CarbonylContact O-C 3.53Å; R57-Q469 VanDerWaalsContact O-CA 3.31Å; R57-Q469 WeakPolarHBondContact O-CA 3.35Å; Q469-I492 WeakPolarHBondContact O-CA 3.42Å; Q469-R493 HydrophobicContact CB-CB 4.41Å; Q469-R493 PolarHBondContact N-O 2.74Å; Q469-R493 PolarHBondContact O-N 3.35Å; Q469-R493 VanDerWaalsContact OE1-CZ 3.25Å
470I98.5Very high92.6Very high0 Ų027.5 Ų27.50%016%0.163CC..EExtended strand (participates in β ladder)trans-132.9129.2-176.4-53.8-176.2000109.4R57 V448 I464 V468 I490 C491 I492 W526 L532R57-I470 PolarHBondContact N-O 3.3Å; R57-I470 PolarHBondContact O-N 3.47Å; V448-I470 HydrophobicContact CG1-CD1 3.47Å; V448-I470 VanDerWaalsContact CG1-CD1 3.47Å; V448-I470 HydrophobicContact CG1-CG1 4.26Å; I464-I470 HydrophobicContact CD1-CB 4.27Å; I464-I470 HydrophobicContact CD1-CD1 4.07Å; I464-I470 HydrophobicContact CD1-CG1 4.15Å; I464-I470 HydrophobicContact CG1-CD1 3.9Å; I464-I470 HydrophobicContact CG1-CG1 4.46Å; I464-I470 HydrophobicContact CG2-CD1 4.29Å; I464-I470 HydrophobicContact CG2-CG1 4.4Å; V468-I470 HydrophobicContact CG1-CD1 4.49Å; V468-I470 HydrophobicContact CG1-CG1 4.12Å; I470-I490 HydrophobicContact CG2-CG2 3.67Å; I470-C491 WeakPolarHBondContact CA-O 3.42Å; I470-I492 HydrophobicContact CG1-CG1 4.38Å; I470-W526 HydrophobicContact CB-CH2 4.02Å; I470-W526 HydrophobicContact CB-CZ2 4.04Å; I470-W526 HydrophobicContact CD1-CH2 4.27Å; I470-W526 HydrophobicContact CG2-CH2 4.01Å; I470-W526 HydrophobicContact CG2-CZ2 3.79Å; I470-L532 HydrophobicContact CD1-CD2 4.02Å
471K97.8Very high92.5Very high24 Ų2431.2 Ų31.210%0.10418%0.179CC..EExtended strand (participates in β ladder)trans-117.7151.1164.963.3-177178.2-177.40109.4L56 I473 C491 E515 F517L56-K471 HydrophobicContact CD1-CB 3.97Å; K471-I473 HydrophobicContact CD-CG2 4.14Å; K471-I473 HydrophobicContact CG-CG2 4.07Å; K471-C491 HydrophobicContact CG-CB 3.82Å; K471-C491 PolarHBondContact N-O 3.26Å; K471-C491 PolarHBondContact O-N 2.81Å; K471-E515 IonicContact NZ-OE1 2.72Å; K471-E515 PolarHBondContact NZ-OE1 3.33Å; K471-F517 HydrophobicContact CD-CD1 4.39Å; K471-F517 HydrophobicContact CD-CE1 4.06Å; K471-F517 HydrophobicContact CD-CE2 4.21Å; K471-F517 HydrophobicContact CD-CZ 3.97Å; K471-F517 HydrophobicContact CG-CD1 4.17Å; K471-F517 HydrophobicContact CG-CE1 3.91Å; K471-F517 HydrophobicContact CG-CZ 4.31Å
472L98.2Very high92.5Very high15 Ų1532.2 Ų32.28%0.07919%0.185CC..EExtended strand (participates in β ladder)trans-98.2131.4166.8-58.3-178.2000107.6V482 E489 I490 G524 W526L472-V482 HydrophobicContact CB-CG1 4.4Å; L472-V482 HydrophobicContact CB-CG2 4Å; L472-E489 CarbonylContact C-O 3.56Å; L472-E489 VanDerWaalsContact CA-O 3.26Å; L472-E489 WeakPolarHBondContact CA-O 3.38Å; L472-I490 HydrophobicContact CD2-CB 4.44Å; L472-I490 HydrophobicContact CD2-CG1 3.8Å; L472-G524 WeakPolarHBondContact CD1-O 3.39Å; L472-W526 HydrophobicContact CD1-CG 4.45Å
473I97.2Very high92.5Very high46 Ų4637 Ų3724%0.23622%0.218CC..EExtended strand (participates in β ladder)trans-115.7157.7176.869167.5000111.4K471 G488 E489 C491K471-I473 HydrophobicContact CD-CG2 4.14Å; K471-I473 HydrophobicContact CG-CG2 4.07Å; I473-G488 CarbonylContact O-C 3.52Å; I473-G488 WeakPolarHBondContact O-CA 3.28Å; I473-E489 HydrophobicContact CD1-CB 4.48Å; I473-E489 HydrophobicContact CG1-CB 3.82Å; I473-E489 HydrophobicContact CG1-CG 4.36Å; I473-E489 PolarHBondContact N-O 3.32Å; I473-E489 PolarHBondContact O-N 3.18Å; I473-C491 WeakPolarHBondContact CD1-SG 3.16Å; I473-C491 VanDerWaalsContact CG1-SG 3.58Å
474D95.9Very high92.3Very high71 Ų7144 Ų4438%0.3825%0.249SC..  trans-62150.8175.1-63.5-21000110.9P476 F481 V482D474-P476 HydrophobicContact CB-CG 4.42Å; D474-F481 HydrophobicContact CB-CD1 4.14Å; D474-F481 VanDerWaalsContact OD1-CA 3.3Å; D474-F481 WeakPolarHBondContact OD1-CA 3.47Å; D474-V482 PolarHBondContact OD1-N 2.99Å
475V91.9Very high91.9Very high1 Ų146 Ų461%0.00626%0.26CS..BIsolated β-bridgetrans-12576.3173.5-169.50000107.5E477 M478 G479 I480 E489 T538V475-E477 VanDerWaalsContact C-N 3.27Å; V475-E477 VanDerWaalsContact CG1-CD 3.46Å; V475-E477 HydrophobicContact CG1-CG 4.15Å; V475-E477 WeakPolarHBondContact CG1-OE1 3.44Å; V475-E477 PolarHBondContact O-N 3.25Å; V475-M478 HydrophobicContact CB-CB 4.35Å; V475-M478 HydrophobicContact CG1-CB 3.91Å; V475-M478 HydrophobicContact CG1-CG 3.78Å; V475-M478 CarbonylContact O-C 3.49Å; V475-M478 PolarHBondContact O-N 3.22Å; V475-G479 PolarHBondContact O-N 3.43Å; V475-G479 VanDerWaalsContact O-N 3.14Å; V475-I480 CarbonylContact C-O 3.6Å; V475-I480 HydrophobicContact CB-CB 4.14Å; V475-I480 PolarHBondContact N-O 2.98Å; V475-I480 PolarHBondContact O-N 3.27Å; V475-I480 VanDerWaalsContact O-N 3.17Å; V475-E489 HydrophobicContact CG2-CB 3.67Å; V475-T538 HydrophobicContact CG1-CG2 4.15Å; V475-T538 HydrophobicContact CG2-CG2 4.1Å
476P87.8Confident91.8Very high80 Ų8052.3 Ų52.352%0.51929%0.289SS..G310 helixtrans-60-34-169.5-25.335.9000113.8D474 M478 G479 F481D474-P476 HydrophobicContact CB-CG 4.42Å; P476-M478 PolarHBondContact O-N 3.35Å; P476-G479 PolarHBondContact O-N 3.07Å; P476-F481 HydrophobicContact CB-CZ 4.49Å
477E83.5Confident91.9Very high142 Ų14253.3 Ų53.366%0.66429%0.293SS*.G310 helixtrans-62-25.8176.267.2-84.5-163.500112.9V475V475-E477 VanDerWaalsContact C-N 3.27Å; V475-E477 VanDerWaalsContact CG1-CD 3.46Å; V475-E477 HydrophobicContact CG1-CG 4.15Å; V475-E477 WeakPolarHBondContact CG1-OE1 3.44Å; V475-E477 PolarHBondContact O-N 3.25Å
478M78.7Confident92Very high41 Ų4150.4 Ų50.420%0.20226%0.264CS..G310 helixtrans-96.3-7.3173.6-66.9-55.5-6500112.6V475 P476 I480 L541 Y549V475-M478 HydrophobicContact CB-CB 4.35Å; V475-M478 HydrophobicContact CG1-CB 3.91Å; V475-M478 HydrophobicContact CG1-CG 3.78Å; V475-M478 CarbonylContact O-C 3.49Å; V475-M478 PolarHBondContact O-N 3.22Å; P476-M478 PolarHBondContact O-N 3.35Å; M478-I480 VanDerWaalsContact C-N 3.27Å; M478-I480 HydrophobicContact CB-CD1 3.95Å; M478-I480 HydrophobicContact CB-CG1 4.02Å; M478-L541 HydrophobicContact CE-CB 4.35Å; M478-L541 WeakPolarHBondContact CE-O 3.48Å; M478-Y549 WeakPolarHBondContact O-CE1 3.37Å; M478-Y549 PolarHBondContact O-OH 3.05Å
479G80.4Confident92.1Very high20 Ų2051.4 Ų51.421%0.20627%0.268CS..THydrogen-bonded Turntrans66.428.8-173.100000113.2V475 P476 Y549V475-G479 PolarHBondContact O-N 3.43Å; V475-G479 VanDerWaalsContact O-N 3.14Å; P476-G479 PolarHBondContact O-N 3.07Å; G479-Y549 VanDerWaalsContact C-OH 3.3Å; G479-Y549 PolarHBondContact O-OH 3.21Å
480I87.4Confident92.1Very high0 Ų049 Ų490%026%0.257CS..BIsolated β-bridgetrans-96.1122.6174.6-64.2172.3000108V475 M478 D485 M487 V523 L541 Y549V475-I480 CarbonylContact C-O 3.6Å; V475-I480 HydrophobicContact CB-CB 4.14Å; V475-I480 PolarHBondContact N-O 2.98Å; V475-I480 PolarHBondContact O-N 3.27Å; V475-I480 VanDerWaalsContact O-N 3.17Å; M478-I480 VanDerWaalsContact C-N 3.27Å; M478-I480 HydrophobicContact CB-CD1 3.95Å; M478-I480 HydrophobicContact CB-CG1 4.02Å; I480-D485 WeakPolarHBondContact CA-OD2 3.26Å; I480-M487 HydrophobicContact CG1-CE 4.4Å; I480-M487 HydrophobicContact CG2-CG 3.68Å; I480-M487 WeakPolarHBondContact CG2-O 3.42Å; I480-V523 HydrophobicContact CD1-CG2 4.47Å; I480-L541 HydrophobicContact CD1-CD2 3.59Å; I480-Y549 HydrophobicContact CD1-CE1 4.36Å; I480-Y549 HydrophobicContact CG1-CE1 3.99Å; I480-Y549 HydrophobicContact CG1-CE2 4.44Å
481F91.5Very high92.1Very high82 Ų8249 Ų4936%0.3626%0.257SS..  trans-125.9125.2174.9-63.4-90.3000109.2D474 P476 S483 K484 D485D474-F481 HydrophobicContact CB-CD1 4.14Å; D474-F481 VanDerWaalsContact OD1-CA 3.3Å; D474-F481 WeakPolarHBondContact OD1-CA 3.47Å; P476-F481 HydrophobicContact CB-CZ 4.49Å; F481-S483 PolarHBondContact O-N 3.17Å; F481-K484 HydrophobicContact CB-CB 4.21Å; F481-K484 PolarHBondContact O-N 3.41Å; F481-D485 PolarHBondContact N-OD2 2.78Å; F481-D485 PolarHBondContact O-N 3.17Å
482V94.2Very high92.1Very high37 Ų3747.9 Ų47.922%0.22425%0.252CS..Hα-helixtrans-55.9-40.9-174.9177.60000111.1L472 D474 K484 Q486 M487L472-V482 HydrophobicContact CB-CG1 4.4Å; L472-V482 HydrophobicContact CB-CG2 4Å; D474-V482 PolarHBondContact OD1-N 2.99Å; V482-K484 VanDerWaalsContact C-N 3.28Å; V482-K484 PolarHBondContact O-N 3.27Å; V482-Q486 VanDerWaalsContact O-CA 3.22Å; V482-Q486 WeakPolarHBondContact O-CA 3.34Å; V482-Q486 PolarHBondContact O-N 3.35Å; V482-M487 WeakPolarHBondContact CA-O 3.41Å
483S93.3Very high92.1Very high99 Ų9950.8 Ų50.869%0.69226%0.262SS*.Hα-helixtrans-61.5-33.8178.5580000113.7F481 Q486F481-S483 PolarHBondContact O-N 3.17Å; S483-Q486 PolarHBondContact O-NE2 2.76Å
484K90.4Very high92Very high147 Ų14749.6 Ų49.664%0.63926%0.257SS*.Hα-helixtrans-93.8-48.7-176.2178.9-171.3168.9-171.30112F481 V482F481-K484 HydrophobicContact CB-CB 4.21Å; F481-K484 PolarHBondContact O-N 3.41Å; V482-K484 VanDerWaalsContact C-N 3.28Å; V482-K484 PolarHBondContact O-N 3.27Å
485D88.4Confident92Very high44 Ų4453.5 Ų53.524%0.23527%0.271CS..Hα-helixtrans-99.5-9-167.4-55.7-60.4000112.4I480 F481 M487I480-D485 WeakPolarHBondContact CA-OD2 3.26Å; F481-D485 PolarHBondContact N-OD2 2.78Å; F481-D485 PolarHBondContact O-N 3.17Å; D485-M487 HydrophobicContact CB-CE 3.85Å; D485-M487 HydrophobicContact CB-CG 3.87Å; D485-M487 PolarHBondContact O-N 3.13Å; D485-M487 VanDerWaalsContact O-N 3.09Å
486Q92.8Very high92.2Very high131 Ų13153.7 Ų53.761%0.61227%0.272SS*.SBendtrans5623.1-177.2-57.1-64.9-32.100113.2V482 S483V482-Q486 VanDerWaalsContact O-CA 3.22Å; V482-Q486 WeakPolarHBondContact O-CA 3.34Å; V482-Q486 PolarHBondContact O-N 3.35Å; S483-Q486 PolarHBondContact O-NE2 2.76Å
487M94.3Very high92.6Very high26 Ų2650.7 Ų50.713%0.12825%0.252CS..EExtended strand (participates in β ladder)trans-139.2154.9177.773177.8149.500109.8I480 V482 D485 V523 G524 V525 Y549I480-M487 HydrophobicContact CG1-CE 4.4Å; I480-M487 HydrophobicContact CG2-CG 3.68Å; I480-M487 WeakPolarHBondContact CG2-O 3.42Å; V482-M487 WeakPolarHBondContact CA-O 3.41Å; D485-M487 HydrophobicContact CB-CE 3.85Å; D485-M487 HydrophobicContact CB-CG 3.87Å; D485-M487 PolarHBondContact O-N 3.13Å; D485-M487 VanDerWaalsContact O-N 3.09Å; M487-V523 HydrophobicContact CB-CG1 4.28Å; M487-V523 HydrophobicContact CG-CG1 4.32Å; M487-V523 HydrophobicContact SD-CG1 4.23Å; M487-G524 VanDerWaalsContact CA-O 3.3Å; M487-G524 WeakPolarHBondContact CA-O 3.49Å; M487-V525 HydrophobicContact CB-CG1 3.33Å; M487-Y549 HydrophobicContact CE-CD2 3.78Å; M487-Y549 HydrophobicContact CE-CE2 3.94Å; M487-Y549 HydrophobicContact CE-CG 4.44Å
488G95.9Very high93.3Very high0 Ų044.3 Ų44.30%022%0.222CC..EExtended strand (participates in β ladder)trans-170.2175.7179.800000112I473 V523 G524I473-G488 CarbonylContact O-C 3.52Å; I473-G488 WeakPolarHBondContact O-CA 3.28Å; G488-V523 CarbonylContact O-C 3.55Å; G488-V523 WeakPolarHBondContact O-CA 3.48Å; G488-G524 PolarHBondContact N-O 3.09Å; G488-G524 PolarHBondContact O-N 3.02Å
489E97.3Very high94.1Very high24 Ų2447 Ų4711%0.11224%0.237CC..EExtended strand (participates in β ladder)trans-65.1135.7172.1172170.4-168.500110.4L472 I473 V475 C491 H519 T520 G521 D522 T538L472-E489 CarbonylContact C-O 3.56Å; L472-E489 VanDerWaalsContact CA-O 3.26Å; L472-E489 WeakPolarHBondContact CA-O 3.38Å; I473-E489 HydrophobicContact CD1-CB 4.48Å; I473-E489 HydrophobicContact CG1-CB 3.82Å; I473-E489 HydrophobicContact CG1-CG 4.36Å; I473-E489 PolarHBondContact N-O 3.32Å; I473-E489 PolarHBondContact O-N 3.18Å; V475-E489 HydrophobicContact CG2-CB 3.67Å; E489-C491 PolarHBondContact O-N 2.86Å; E489-H519 WeakPolarHBondContact OE1-CB 3.28Å; E489-T520 PolarHBondContact OE1-N 3.07Å; E489-G521 WeakPolarHBondContact OE1-CA 3.37Å; E489-G521 PolarHBondContact OE1-N 3.38Å; E489-D522 CarbonylContact C-O 3.58Å; E489-D522 WeakPolarHBondContact CA-O 3.23Å; E489-T538 HydrophobicContact CB-CG2 4.08Å; E489-T538 HydrophobicContact CG-CG2 4.34Å
490I98.1Very high94.9Very high0 Ų046 Ų460%023%0.227CC..EExtended strand (participates in β ladder)trans-80.6114.3178-57.3165.4000108.4Y439 I470 L472 I492 T520 D522 L532 I534Y439-I490 HydrophobicContact CE1-CD1 4.24Å; Y439-I490 HydrophobicContact CE1-CG2 4.26Å; I470-I490 HydrophobicContact CG2-CG2 3.67Å; L472-I490 HydrophobicContact CD2-CB 4.44Å; L472-I490 HydrophobicContact CD2-CG1 3.8Å; I490-I492 HydrophobicContact CG2-CD1 4.09Å; I490-I492 HydrophobicContact CG2-CG1 3.87Å; I490-T520 WeakPolarHBondContact O-CB 3.28Å; I490-T520 VanDerWaalsContact O-CG2 3.25Å; I490-T520 WeakPolarHBondContact O-CG2 3.38Å; I490-T520 PolarHBondContact O-N 3.22Å; I490-T520 PolarHBondContact O-OG1 2.86Å; I490-D522 HydrophobicContact CD1-CB 4.26Å; I490-D522 WeakPolarHBondContact CG1-O 3.44Å; I490-D522 PolarHBondContact N-O 3.04Å; I490-L532 HydrophobicContact CD1-CD1 4.24Å; I490-L532 HydrophobicContact CD1-CD2 4.32Å; I490-L532 HydrophobicContact CG1-CD1 4.48Å; I490-I534 HydrophobicContact CD1-CD1 3.39Å
491C98.3Very high95.4Very high0 Ų046.3 Ų46.30%023%0.228CC..EExtended strand (participates in β ladder)trans-108.3131.1173-63.30000110I470 K471 I473 E489 F517 V518 H519I470-C491 WeakPolarHBondContact CA-O 3.42Å; K471-C491 HydrophobicContact CG-CB 3.82Å; K471-C491 PolarHBondContact N-O 3.26Å; K471-C491 PolarHBondContact O-N 2.81Å; I473-C491 WeakPolarHBondContact CD1-SG 3.16Å; I473-C491 VanDerWaalsContact CG1-SG 3.58Å; E489-C491 PolarHBondContact O-N 2.86Å; C491-F517 HydrophobicContact CB-CB 4.06Å; C491-F517 HydrophobicContact CB-CD1 4.01Å; C491-F517 HydrophobicContact CB-CG 4.31Å; C491-V518 CarbonylContact C-O 3.38Å; C491-V518 WeakPolarHBondContact CA-O 3.1Å; C491-H519 PolarHBondContact SG-ND1 2.57Å; C491-H519 VanDerWaalsContact SG-ND1 3.44Å
492I98.4Very high95.7Very high0 Ų044 Ų440%022%0.217CC..EExtended strand (participates in β ladder)trans-123.6126.3-168.5-58166.2000111.4Y439 T444 V448 V468 Q469 I470 I490 N497 F517 V518 T520Y439-I492 HydrophobicContact CE1-CD1 4.11Å; T444-I492 HydrophobicContact CG2-CB 4.27Å; T444-I492 HydrophobicContact CG2-CD1 3.93Å; T444-I492 HydrophobicContact CG2-CG2 4.23Å; V448-I492 HydrophobicContact CB-CD1 4.16Å; V448-I492 HydrophobicContact CG1-CD1 3.52Å; V448-I492 HydrophobicContact CG1-CG1 4.05Å; V448-I492 HydrophobicContact CG1-CG2 4.26Å; V448-I492 HydrophobicContact CG2-CD1 3.59Å; V448-I492 HydrophobicContact CG2-CG2 4.33Å; V468-I492 HydrophobicContact CG1-CG2 3.83Å; Q469-I492 WeakPolarHBondContact O-CA 3.42Å; I470-I492 HydrophobicContact CG1-CG1 4.38Å; I490-I492 HydrophobicContact CG2-CD1 4.09Å; I490-I492 HydrophobicContact CG2-CG1 3.87Å; I492-N497 PolarHBondContact O-ND2 2.92Å; I492-F517 CarbonylContact O-C 3.56Å; I492-F517 WeakPolarHBondContact O-CA 3.39Å; I492-V518 PolarHBondContact N-O 3.34Å; I492-V518 PolarHBondContact O-N 2.83Å; I492-T520 HydrophobicContact CD1-CG2 3.38Å; I492-T520 HydrophobicContact CG1-CG2 4.01Å
493R97.7Very high95.8Very high76 Ų7647.8 Ų47.829%0.28723%0.231SC..EExtended strand (participates in β ladder)trans-114.9123.7170.2-175.316767.9-166.7-2.9110.2Q469 E515 F517Q469-R493 HydrophobicContact CB-CB 4.41Å; Q469-R493 PolarHBondContact N-O 2.74Å; Q469-R493 PolarHBondContact O-N 3.35Å; Q469-R493 VanDerWaalsContact OE1-CZ 3.25Å; R493-E515 WeakPolarHBondContact CD-O 3.42Å; R493-E515 PolarHBondContact NH1-O 3.1Å; R493-E515 VanDerWaalsContact NH1-O 3.11Å; R493-F517 HydrophobicContact CB-CD1 3.61Å; R493-F517 HydrophobicContact CB-CD2 4.33Å; R493-F517 HydrophobicContact CB-CE1 3.61Å; R493-F517 HydrophobicContact CB-CE2 4.34Å; R493-F517 HydrophobicContact CB-CG 3.98Å; R493-F517 HydrophobicContact CB-CZ 3.98Å
494S96.8Very high95.9Very high20 Ų2045.3 Ų45.314%0.1421%0.21CC..  trans-155.3164.3177.582.40000111.5C496 N497S494-C496 PolarHBondContact O-N 3.4Å; S494-C496 WeakPolarHBondContact OG-CB 3.48Å; S494-C496 PolarHBondContact OG-N 2.82Å; S494-N497 PolarHBondContact N-ND2 2.89Å; S494-N497 WeakPolarHBondContact O-CB 3.33Å; S494-N497 PolarHBondContact O-N 3.34Å; S494-N497 PolarHBondContact OG-N 3.01Å; S494-N497 PolarHBondContact OG-OD1 3.28Å
495K95Very high96.2Very high154 Ų15444 Ų4467%0.6721%0.206SC*.THydrogen-bonded Turntrans-73.6-3.1170.1-64.4-178.1178.6179.40113.5A272 N275A272-K495 WeakPolarHBondContact CA-O 3.31Å; N275-K495 HydrophobicContact CB-CB 4.17Å; N275-K495 PolarHBondContact ND2-O 3.27Å
496C96Very high96.5Very high4 Ų448.2 Ų48.23%0.02722%0.224CC..THydrogen-bonded Turntrans-95.4-10177.2-510000112.1A276 L279 L445 S494A276-C496 HydrophobicContact CB-CB 4.3Å; L279-C496 VanDerWaalsContact CD1-SG 3.56Å; L445-C496 HydrophobicContact CB-CB 4.46Å; L445-C496 WeakPolarHBondContact CB-O 3.39Å; S494-C496 PolarHBondContact O-N 3.4Å; S494-C496 WeakPolarHBondContact OG-CB 3.48Å; S494-C496 PolarHBondContact OG-N 2.82Å
497N97Very high96.5Very high18 Ų1845 Ų4510%0.09621%0.208CC..SBendtrans-60146.9-178.9-70.34.5000110.3E443 I492 S494 G516 V518E443-N497 WeakPolarHBondContact O-CA 3.21Å; I492-N497 PolarHBondContact O-ND2 2.92Å; S494-N497 PolarHBondContact N-ND2 2.89Å; S494-N497 WeakPolarHBondContact O-CB 3.33Å; S494-N497 PolarHBondContact O-N 3.34Å; S494-N497 PolarHBondContact OG-N 3.01Å; S494-N497 PolarHBondContact OG-OD1 3.28Å; N497-G516 PolarHBondContact ND2-O 3.06Å; N497-V518 HydrophobicContact CB-CG2 3.99Å
498M97Very high96.7Very high7 Ų744.4 Ų44.43%0.03421%0.206CC..  trans-56.1156.8173.365.4167.8-158.400111.7V266 I268 E443 G500 Y501 V511 L512V266-M498 HydrophobicContact CG1-CB 3.46Å; V266-M498 VanDerWaalsContact CG1-CB 3.46Å; V266-M498 HydrophobicContact CG1-CG 4.25Å; V266-M498 HydrophobicContact CG1-SD 3.9Å; I268-M498 HydrophobicContact CD1-CB 4.32Å; E443-M498 HydrophobicContact CB-CG 4.19Å; E443-M498 HydrophobicContact CB-SD 3.89Å; E443-M498 HydrophobicContact CG-SD 3.77Å; E443-M498 PolarHBondContact O-N 3.35Å; M498-G500 VanDerWaalsContact C-N 3.33Å; M498-Y501 HydrophobicContact CE-CD2 4.44Å; M498-Y501 HydrophobicContact CE-CE2 4.26Å; M498-Y501 HydrophobicContact SD-CE1 4.39Å; M498-V511 HydrophobicContact CE-CG1 3.12Å; M498-L512 HydrophobicContact CE-CB 4.24Å
499L96.5Very high96.7Very high97 Ų9750.4 Ų50.451%0.50823%0.234SC..  trans-72.2-32.1168.9-177.164.4000111.7L250 M267 T269L250-L499 HydrophobicContact CD2-CD2 4.11Å; M267-L499 HydrophobicContact CB-CB 4.04Å; M267-L499 HydrophobicContact CE-CB 4.44Å; M267-L499 HydrophobicContact CE-CD2 4.32Å; M267-L499 HydrophobicContact CE-CG 4.26Å; M267-L499 PolarHBondContact O-N 2.82Å; T269-L499 HydrophobicContact CG2-CB 4.25Å; T269-L499 HydrophobicContact CG2-CD2 4.22Å
500G97.3Very high96.5Very high0 Ų054.2 Ų54.20%025%0.252CS..EExtended strand (participates in β ladder)trans156.6-175.7-174.900000111.5M267 M498M267-G500 WeakPolarHBondContact CB-O 3.4Å; M267-G500 PolarHBondContact N-O 3.01Å; M498-G500 VanDerWaalsContact C-N 3.33Å
501Y97.3Very high96.4Very high7 Ų755.1 Ų55.13%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-89.5132.4166.8-63.1-67.8000110.8K264 G265 V266 E443 M498 K503 N504 K507 T508 V511K264-Y501 HydrophobicContact CB-CD1 3.5Å; K264-Y501 VanDerWaalsContact CB-CD1 3.5Å; K264-Y501 HydrophobicContact CB-CE1 3.76Å; K264-Y501 HydrophobicContact CB-CG 4.14Å; K264-Y501 HydrophobicContact CD-CD1 4.22Å; K264-Y501 HydrophobicContact CD-CD2 4.39Å; K264-Y501 HydrophobicContact CD-CE1 4.03Å; K264-Y501 HydrophobicContact CD-CE2 4.23Å; K264-Y501 HydrophobicContact CD-CG 4.39Å; K264-Y501 HydrophobicContact CG-CD1 4.45Å; K264-Y501 PolarHBondContact NZ-OH 2.83Å; G265-Y501 CarbonylContact O-C 3.2Å; G265-Y501 VanDerWaalsContact O-CA 3.29Å; G265-Y501 WeakPolarHBondContact O-CA 3.27Å; V266-Y501 HydrophobicContact CG2-CD1 4.06Å; V266-Y501 HydrophobicContact CG2-CE1 3.75Å; E443-Y501 HydrophobicContact CG-CE1 4.34Å; E443-Y501 PolarHBondContact OE1-OH 3.21Å; M498-Y501 HydrophobicContact CE-CD2 4.44Å; M498-Y501 HydrophobicContact CE-CE2 4.26Å; M498-Y501 HydrophobicContact SD-CE1 4.39Å; Y501-K503 PolarHBondContact O-N 3.3Å; Y501-N504 PolarHBondContact O-N 2.85Å; Y501-K507 HydrophobicContact CD2-CB 3.73Å; Y501-K507 WeakPolarHBondContact CD2-O 3.33Å; Y501-K507 HydrophobicContact CE2-CB 4.07Å; Y501-K507 VanDerWaalsContact CE2-O 3.28Å; Y501-K507 WeakPolarHBondContact CE2-O 3.49Å; Y501-T508 PolarHBondContact N-OG1 2.98Å; Y501-T508 PolarHBondContact O-OG1 3.46Å; Y501-V511 HydrophobicContact CD2-CG1 4.18Å; Y501-V511 HydrophobicContact CE2-CB 4.11Å; Y501-V511 HydrophobicContact CE2-CG1 3.41Å; Y501-V511 VanDerWaalsContact CE2-CG1 3.41Å
502Y97.3Very high96.4Very high34 Ų3457 Ų5713%0.13327%0.267CS..THydrogen-bonded Turntrans-59.9126.5-178.9-173.5-106.7000110.9F132 E175 T176 I253 G265 M267 N504F132-Y502 HydrophobicContact CE2-CE1 4.27Å; F132-Y502 HydrophobicContact CE2-CE2 4.02Å; F132-Y502 AromaticContact CE2-CZ 3.65Å; F132-Y502 WeakPolarHBondContact CE2-OH 3.39Å; F132-Y502 AromaticContact CZ-CE2 3.84Å; F132-Y502 HydrophobicContact CZ-CE2 3.84Å; F132-Y502 AromaticContact CZ-CZ 3.91Å; E175-Y502 HydrophobicContact CG-CD1 4Å; E175-Y502 HydrophobicContact CG-CE1 4.26Å; E175-Y502 WeakPolarHBondContact O-CE1 3.2Å; T176-Y502 HydrophobicContact CG2-CD1 4.37Å; T176-Y502 HydrophobicContact CG2-CE1 4.22Å; I253-Y502 HydrophobicContact CD1-CD1 4.31Å; I253-Y502 HydrophobicContact CD1-CD2 3.63Å; I253-Y502 HydrophobicContact CD1-CE2 3.98Å; I253-Y502 HydrophobicContact CD1-CG 3.82Å; G265-Y502 PolarHBondContact O-N 2.94Å; M267-Y502 HydrophobicContact CG-CD2 4.19Å; M267-Y502 HydrophobicContact SD-CD2 3.86Å; Y502-N504 PolarHBondContact O-N 2.95Å
503K96.6Very high96.3Very high116 Ų11658.7 Ų58.750%0.50428%0.276SS..THydrogen-bonded Turntrans50.424.4-177.3-66.7-178.7176174.20114.9E175 E177 Y501E175-K503 HydrophobicContact CG-CB 4.35Å; E175-K503 HydrophobicContact CG-CD 4.24Å; E175-K503 WeakPolarHBondContact O-CD 3.25Å; E175-K503 WeakPolarHBondContact O-CE 3.46Å; E175-K503 PolarHBondContact O-NZ 3.48Å; E177-K503 IonicContact OE1-NZ 3.75Å; E177-K503 PolarHBondContact OE1-NZ 2.82Å; Y501-K503 PolarHBondContact O-N 3.3Å
504N95.2Very high96.3Very high46 Ų4661.4 Ų61.425%0.24631%0.306CS..  trans-136.575.7-177.9-166.2-24.5000111.6Y501 Y502 K507 T508Y501-N504 PolarHBondContact O-N 2.85Å; Y502-N504 PolarHBondContact O-N 2.95Å; N504-K507 VanDerWaalsContact OD1-CB 3.3Å; N504-K507 WeakPolarHBondContact OD1-CB 3.22Å; N504-K507 VanDerWaalsContact OD1-CG 3.31Å; N504-K507 WeakPolarHBondContact OD1-CG 3.22Å; N504-K507 PolarHBondContact OD1-N 3.05Å; N504-K507 VanDerWaalsContact OD1-N 3.09Å; N504-T508 WeakPolarHBondContact O-CB 3.36Å; N504-T508 PolarHBondContact O-N 2.9Å; N504-T508 PolarHBondContact O-OG1 2.79Å
505Q96.8Very high96.2Very high121 Ų12165.6 Ų65.657%0.56532%0.324SS*.Hα-helixtrans-64.5-41.1-177.5-173.362.92100112.3K507 T508 E509Q505-K507 PolarHBondContact O-N 2.91Å; Q505-T508 WeakPolarHBondContact O-CA 3.48Å; Q505-T508 VanDerWaalsContact O-CB 3.31Å; Q505-T508 WeakPolarHBondContact O-CB 3.15Å; Q505-T508 PolarHBondContact O-N 3.01Å; Q505-E509 HydrophobicContact CG-CG 4.45Å; Q505-E509 WeakPolarHBondContact CG-OE1 3.26Å; Q505-E509 PolarHBondContact NE2-OE1 2.93Å; Q505-E509 PolarHBondContact O-N 3.35Å
506E95.2Very high96.3Very high131 Ų13159.5 Ų59.561%0.61231%0.305SS*.Hα-helixtrans-57-50.5179.1-174.5-154.7129.600111.4T508 E509 E510E506-T508 VanDerWaalsContact C-N 3.25Å; E506-T508 PolarHBondContact O-N 2.93Å; E506-E509 PolarHBondContact O-N 2.78Å; E506-E510 PolarHBondContact O-N 2.78Å
507K93.2Very high96.4Very high65 Ų6559.5 Ų59.528%0.28330%0.304SS..Hα-helixtrans-71.4-23177.4-63.2-52.8178.5-148.20113K264 Y501 N504 Q505 E510 V511K264-K507 HydrophobicContact CD-CB 4.3Å; K264-K507 HydrophobicContact CD-CG 4.34Å; Y501-K507 HydrophobicContact CD2-CB 3.73Å; Y501-K507 WeakPolarHBondContact CD2-O 3.33Å; Y501-K507 HydrophobicContact CE2-CB 4.07Å; Y501-K507 VanDerWaalsContact CE2-O 3.28Å; Y501-K507 WeakPolarHBondContact CE2-O 3.49Å; N504-K507 VanDerWaalsContact OD1-CB 3.3Å; N504-K507 WeakPolarHBondContact OD1-CB 3.22Å; N504-K507 VanDerWaalsContact OD1-CG 3.31Å; N504-K507 WeakPolarHBondContact OD1-CG 3.22Å; N504-K507 PolarHBondContact OD1-N 3.05Å; N504-K507 VanDerWaalsContact OD1-N 3.09Å; Q505-K507 PolarHBondContact O-N 2.91Å; K507-E510 WeakPolarHBondContact CD-OE2 3.47Å; K507-E510 WeakPolarHBondContact CE-OE2 3.32Å; K507-E510 IonicContact NZ-OE2 2.79Å; K507-E510 PolarHBondContact NZ-OE2 3Å; K507-V511 WeakPolarHBondContact O-CG1 3.21Å; K507-V511 PolarHBondContact O-N 2.84Å
508T96.8Very high96.5Very high12 Ų1258.7 Ų58.77%0.07430%0.3CS..Hα-helixtrans-67.2-48.5173.6-61.30000109.9Y501 N504 Q505 E506 E510 V511 L512Y501-T508 PolarHBondContact N-OG1 2.98Å; Y501-T508 PolarHBondContact O-OG1 3.46Å; N504-T508 WeakPolarHBondContact O-CB 3.36Å; N504-T508 PolarHBondContact O-N 2.9Å; N504-T508 PolarHBondContact O-OG1 2.79Å; Q505-T508 WeakPolarHBondContact O-CA 3.48Å; Q505-T508 VanDerWaalsContact O-CB 3.31Å; Q505-T508 WeakPolarHBondContact O-CB 3.15Å; Q505-T508 PolarHBondContact O-N 3.01Å; E506-T508 VanDerWaalsContact C-N 3.25Å; E506-T508 PolarHBondContact O-N 2.93Å; T508-E510 VanDerWaalsContact C-N 3.32Å; T508-E510 PolarHBondContact O-N 2.87Å; T508-V511 PolarHBondContact O-N 2.9Å; T508-L512 WeakPolarHBondContact O-CB 3.13Å; T508-L512 PolarHBondContact O-N 3.48Å
509E97.2Very high96.5Very high127 Ų12760.3 Ų60.359%0.59331%0.307SS*.Hα-helixtrans-68.7-29178.3-68.2171-177.400112.8Q505 E506 V511Q505-E509 HydrophobicContact CG-CG 4.45Å; Q505-E509 WeakPolarHBondContact CG-OE1 3.26Å; Q505-E509 PolarHBondContact NE2-OE1 2.93Å; Q505-E509 PolarHBondContact O-N 3.35Å; E506-E509 PolarHBondContact O-N 2.78Å; E509-V511 VanDerWaalsContact C-N 3.33Å
510E93.8Very high96.4Very high104 Ų10457 Ų5749%0.48629%0.291SS..Hα-helixtrans-64.3-37172.7-174-175.9153.100112E506 K507 T508 K539E506-E510 PolarHBondContact O-N 2.78Å; K507-E510 WeakPolarHBondContact CD-OE2 3.47Å; K507-E510 WeakPolarHBondContact CE-OE2 3.32Å; K507-E510 IonicContact NZ-OE2 2.79Å; K507-E510 PolarHBondContact NZ-OE2 3Å; T508-E510 VanDerWaalsContact C-N 3.32Å; T508-E510 PolarHBondContact O-N 2.87Å; E510-K539 IonicContact OE1-NZ 3.6Å
511V95.5Very high96.1Very high18 Ų1857.8 Ų57.811%0.10930%0.299CS..Hα-helixtrans-102.8-28.5-172.179.70000113.5M498 Y501 K507 T508 E509 V518 H519M498-V511 HydrophobicContact CE-CG1 3.12Å; Y501-V511 HydrophobicContact CD2-CG1 4.18Å; Y501-V511 HydrophobicContact CE2-CB 4.11Å; Y501-V511 HydrophobicContact CE2-CG1 3.41Å; Y501-V511 VanDerWaalsContact CE2-CG1 3.41Å; K507-V511 WeakPolarHBondContact O-CG1 3.21Å; K507-V511 PolarHBondContact O-N 2.84Å; T508-V511 PolarHBondContact O-N 2.9Å; E509-V511 VanDerWaalsContact C-N 3.33Å; V511-V518 HydrophobicContact CG2-CG1 4.27Å; V511-V518 CarbonylContact O-C 3.56Å; V511-V518 VanDerWaalsContact O-CA 3.27Å; V511-V518 WeakPolarHBondContact O-CA 3.48Å; V511-H519 VanDerWaalsContact CG2-O 3.27Å; V511-H519 WeakPolarHBondContact CG2-O 3.44Å; V511-H519 PolarHBondContact O-CD2 2.8Å; V511-H519 PolarHBondContact O-N 2.99Å
512L97.5Very high96Very high40 Ų4058.2 Ų58.221%0.20930%0.302CS..BIsolated β-bridgetrans-116.7108.5-177.8-177.966.1000108.5M498 T508 F517 V518M498-L512 HydrophobicContact CE-CB 4.24Å; T508-L512 WeakPolarHBondContact O-CB 3.13Å; T508-L512 PolarHBondContact O-N 3.48Å; L512-F517 WeakPolarHBondContact CA-O 3.38Å; L512-V518 HydrophobicContact CD1-CG2 3.93Å
513D97.2Very high95.8Very high36 Ų3656.6 Ų56.619%0.19330%0.296CS..  trans-78.5172.2-178.869.725.5000113.3E515 G516 F517 H519D513-E515 PolarHBondContact O-N 2.97Å; D513-E515 VanDerWaalsContact O-N 3.16Å; D513-E515 WeakPolarHBondContact OD1-CA 3.35Å; D513-E515 WeakPolarHBondContact OD1-CB 3.35Å; D513-E515 PolarHBondContact OD1-N 3.44Å; D513-G516 PolarHBondContact O-N 3.07Å; D513-G516 PolarHBondContact OD1-N 3.29Å; D513-G516 VanDerWaalsContact OD1-N 3.08Å; D513-F517 PolarHBondContact N-O 3.41Å; D513-F517 PolarHBondContact OD1-N 3.31Å; D513-F517 WeakPolarHBondContact OD2-CB 3.42Å; D513-H519 IonicContact OD2-CD2 3.45Å; D513-H519 IonicContact OD2-CE1 3.48Å; D513-H519 IonicContact OD2-NE2 2.67Å; D513-H519 PolarHBondContact OD2-NE2 2.75Å
514S96.4Very high95.8Very high132 Ų13251 Ų5192%0.92327%0.272SS*.THydrogen-bonded Turntrans-65-15.3-179.257.30000114.3
515E96.1Very high95.8Very high109 Ų10950.3 Ų50.351%0.50927%0.269SS..THydrogen-bonded Turntrans-92.1-2.5174.5-66.4-169.9-88.600112.7K471 R493 D513 F517K471-E515 IonicContact NZ-OE1 2.72Å; K471-E515 PolarHBondContact NZ-OE1 3.33Å; R493-E515 WeakPolarHBondContact CD-O 3.42Å; R493-E515 PolarHBondContact NH1-O 3.1Å; R493-E515 VanDerWaalsContact NH1-O 3.11Å; D513-E515 PolarHBondContact O-N 2.97Å; D513-E515 VanDerWaalsContact O-N 3.16Å; D513-E515 WeakPolarHBondContact OD1-CA 3.35Å; D513-E515 WeakPolarHBondContact OD1-CB 3.35Å; D513-E515 PolarHBondContact OD1-N 3.44Å; E515-F517 HydrophobicContact CB-CD2 3.75Å; E515-F517 HydrophobicContact CB-CE2 4.01Å
516G96.3Very high95.8Very high26 Ų2647 Ų4727%0.26825%0.251SS..SBendtrans83.617.1-179.500000114.5N497 D513N497-G516 PolarHBondContact ND2-O 3.06Å; D513-G516 PolarHBondContact O-N 3.07Å; D513-G516 PolarHBondContact OD1-N 3.29Å; D513-G516 VanDerWaalsContact OD1-N 3.08Å
517F98.2Very high95.9Very high3 Ų343.6 Ų43.61%0.01324%0.237CC..  trans-84.8133.3172.7-69.2-94000111.4L56 K471 C491 I492 R493 L512 D513 E515L56-F517 HydrophobicContact CD1-CE1 3.65Å; L56-F517 HydrophobicContact CD1-CZ 3.56Å; K471-F517 HydrophobicContact CD-CD1 4.39Å; K471-F517 HydrophobicContact CD-CE1 4.06Å; K471-F517 HydrophobicContact CD-CE2 4.21Å; K471-F517 HydrophobicContact CD-CZ 3.97Å; K471-F517 HydrophobicContact CG-CD1 4.17Å; K471-F517 HydrophobicContact CG-CE1 3.91Å; K471-F517 HydrophobicContact CG-CZ 4.31Å; C491-F517 HydrophobicContact CB-CB 4.06Å; C491-F517 HydrophobicContact CB-CD1 4.01Å; C491-F517 HydrophobicContact CB-CG 4.31Å; I492-F517 CarbonylContact O-C 3.56Å; I492-F517 WeakPolarHBondContact O-CA 3.39Å; R493-F517 HydrophobicContact CB-CD1 3.61Å; R493-F517 HydrophobicContact CB-CD2 4.33Å; R493-F517 HydrophobicContact CB-CE1 3.61Å; R493-F517 HydrophobicContact CB-CE2 4.34Å; R493-F517 HydrophobicContact CB-CG 3.98Å; R493-F517 HydrophobicContact CB-CZ 3.98Å; L512-F517 WeakPolarHBondContact CA-O 3.38Å; D513-F517 PolarHBondContact N-O 3.41Å; D513-F517 PolarHBondContact OD1-N 3.31Å; D513-F517 WeakPolarHBondContact OD2-CB 3.42Å; E515-F517 HydrophobicContact CB-CD2 3.75Å; E515-F517 HydrophobicContact CB-CE2 4.01Å
518V98.3Very high95.9Very high1 Ų151.2 Ų51.21%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-83.5119166.8173.60000108.6E443 T444 C491 I492 N497 V511 L512 T520E443-V518 HydrophobicContact CB-CG1 3.95Å; T444-V518 HydrophobicContact CG2-CB 4.27Å; T444-V518 HydrophobicContact CG2-CG1 4.09Å; C491-V518 CarbonylContact C-O 3.38Å; C491-V518 WeakPolarHBondContact CA-O 3.1Å; I492-V518 PolarHBondContact N-O 3.34Å; I492-V518 PolarHBondContact O-N 2.83Å; N497-V518 HydrophobicContact CB-CG2 3.99Å; V511-V518 HydrophobicContact CG2-CG1 4.27Å; V511-V518 CarbonylContact O-C 3.56Å; V511-V518 VanDerWaalsContact O-CA 3.27Å; V511-V518 WeakPolarHBondContact O-CA 3.48Å; L512-V518 HydrophobicContact CD1-CG2 3.93Å; V518-T520 PolarHBondContact O-N 3.48Å
519H97.3Very high95.7Very high42 Ų4252.4 Ų52.419%0.19428%0.276CS..EExtended strand (participates in β ladder)trans-78.6106171.4-68.5-99000108.6E489 C491 V511 D513 G521E489-H519 WeakPolarHBondContact OE1-CB 3.28Å; C491-H519 PolarHBondContact SG-ND1 2.57Å; C491-H519 VanDerWaalsContact SG-ND1 3.44Å; V511-H519 VanDerWaalsContact CG2-O 3.27Å; V511-H519 WeakPolarHBondContact CG2-O 3.44Å; V511-H519 PolarHBondContact O-CD2 2.8Å; V511-H519 PolarHBondContact O-N 2.99Å; D513-H519 IonicContact OD2-CD2 3.45Å; D513-H519 IonicContact OD2-CE1 3.48Å; D513-H519 IonicContact OD2-NE2 2.67Å; D513-H519 PolarHBondContact OD2-NE2 2.75Å; H519-G521 VanDerWaalsContact C-N 3.33Å; H519-G521 PolarHBondContact O-N 2.91Å
520T94.9Very high95.6Very high26 Ų2646.4 Ų46.416%0.1625%0.248CC..EExtended strand (participates in β ladder)trans-76.9-21.1-169.859.30000113.5E489 I490 I492 V518 D522E489-T520 PolarHBondContact OE1-N 3.07Å; I490-T520 WeakPolarHBondContact O-CB 3.28Å; I490-T520 VanDerWaalsContact O-CG2 3.25Å; I490-T520 WeakPolarHBondContact O-CG2 3.38Å; I490-T520 PolarHBondContact O-N 3.22Å; I490-T520 PolarHBondContact O-OG1 2.86Å; I492-T520 HydrophobicContact CD1-CG2 3.38Å; I492-T520 HydrophobicContact CG1-CG2 4.01Å; V518-T520 PolarHBondContact O-N 3.48Å; T520-D522 PolarHBondContact O-N 3.46Å; T520-D522 PolarHBondContact OG1-N 3.39Å; T520-D522 VanDerWaalsContact OG1-N 3.1Å
521G92Very high95.7Very high17 Ų1741.4 Ų41.418%0.17522%0.224CC..EExtended strand (participates in β ladder)trans65.112.8-165.100000113.7E489 H519 R537 T538E489-G521 WeakPolarHBondContact OE1-CA 3.37Å; E489-G521 PolarHBondContact OE1-N 3.38Å; H519-G521 VanDerWaalsContact C-N 3.33Å; H519-G521 PolarHBondContact O-N 2.91Å; G521-R537 CarbonylContact O-C 3.6Å; G521-R537 VanDerWaalsContact O-CA 3.26Å; G521-R537 WeakPolarHBondContact O-CA 3.26Å; G521-R537 WeakPolarHBondContact O-CB 3.42Å; G521-T538 PolarHBondContact O-N 2.79Å; G521-T538 PolarHBondContact O-OG1 3.24Å
522D93.4Very high95.8Very high16 Ų1640.6 Ų40.69%0.08622%0.219CC..EExtended strand (participates in β ladder)trans-104.7137.6175-64.4-35.8000109.4Y439 E489 I490 T520 R537Y439-D522 WeakPolarHBondContact CE2-OD2 3.43Å; Y439-D522 WeakPolarHBondContact OH-CB 3.5Å; Y439-D522 PolarHBondContact OH-OD2 3.33Å; Y439-D522 VanDerWaalsContact OH-OD2 3.06Å; E489-D522 CarbonylContact C-O 3.58Å; E489-D522 WeakPolarHBondContact CA-O 3.23Å; I490-D522 HydrophobicContact CD1-CB 4.26Å; I490-D522 WeakPolarHBondContact CG1-O 3.44Å; I490-D522 PolarHBondContact N-O 3.04Å; T520-D522 PolarHBondContact O-N 3.46Å; T520-D522 PolarHBondContact OG1-N 3.39Å; T520-D522 VanDerWaalsContact OG1-N 3.1Å; D522-R537 VanDerWaalsContact OD1-CG 3.28Å; D522-R537 WeakPolarHBondContact OD1-CG 3.31Å; D522-R537 IonicContact OD1-NE 3.31Å; D522-R537 PolarHBondContact OD1-NE 3.43Å; D522-R537 VanDerWaalsContact OD1-NE 3.13Å
523V94.1Very high95.7Very high0 Ų042.2 Ų42.20%023%0.225CC..EExtended strand (participates in β ladder)trans-93.7131.8178.5178.80000109.3I480 M487 G488 V535 D536 T538I480-V523 HydrophobicContact CD1-CG2 4.47Å; M487-V523 HydrophobicContact CB-CG1 4.28Å; M487-V523 HydrophobicContact CG-CG1 4.32Å; M487-V523 HydrophobicContact SD-CG1 4.23Å; G488-V523 CarbonylContact O-C 3.55Å; G488-V523 WeakPolarHBondContact O-CA 3.48Å; V523-V535 HydrophobicContact CB-CB 4.27Å; V523-V535 HydrophobicContact CG1-CB 4.1Å; V523-V535 HydrophobicContact CG1-CG2 4.33Å; V523-V535 WeakPolarHBondContact O-CB 3.38Å; V523-V535 PolarHBondContact O-N 3.19Å; V523-D536 PolarHBondContact N-O 3.35Å; V523-T538 HydrophobicContact CG2-CG2 3.68Å
524G96.1Very high95.5Very high0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-127.4160.6-178.100000113.9L472 M487 G488 K533L472-G524 WeakPolarHBondContact CD1-O 3.39Å; M487-G524 VanDerWaalsContact CA-O 3.3Å; M487-G524 WeakPolarHBondContact CA-O 3.49Å; G488-G524 PolarHBondContact N-O 3.09Å; G488-G524 PolarHBondContact O-N 3.02Å; G524-K533 CarbonylContact C-O 3.56Å; G524-K533 VanDerWaalsContact CA-O 3.27Å; G524-K533 WeakPolarHBondContact CA-O 3.36Å
525V96.4Very high95.1Very high31 Ų3137.8 Ų37.819%0.18819%0.192CC..EExtended strand (participates in β ladder)trans-132150.6167.4-63.80000110.4M487 K533 V535M487-V525 HydrophobicContact CB-CG1 3.33Å; V525-K533 HydrophobicContact CG2-CB 3.73Å; V525-K533 HydrophobicContact CG2-CD 3.96Å; V525-K533 HydrophobicContact CG2-CG 3.85Å; V525-K533 PolarHBondContact N-O 2.95Å; V525-K533 PolarHBondContact O-N 2.95Å; V525-V535 HydrophobicContact CG1-CG2 3.89Å; V525-V535 HydrophobicContact CG2-CG2 4.29Å
526W96.9Very high94.5Very high52 Ų5232.7 Ų32.720%0.19717%0.168CC..EExtended strand (participates in β ladder)trans-88.8127.6168.4-62.3112.8000110.3R57 I464 I470 L472 L532R57-W526 HydrophobicContact CB-CH2 4.23Å; R57-W526 HydrophobicContact CB-CZ2 4.05Å; R57-W526 HydrophobicContact CG-CZ2 4.09Å; I464-W526 HydrophobicContact CD1-CH2 3.58Å; I464-W526 HydrophobicContact CD1-CZ3 4.04Å; I464-W526 HydrophobicContact CG1-CH2 4.11Å; I464-W526 HydrophobicContact CG1-CZ3 4.26Å; I470-W526 HydrophobicContact CB-CH2 4.02Å; I470-W526 HydrophobicContact CB-CZ2 4.04Å; I470-W526 HydrophobicContact CD1-CH2 4.27Å; I470-W526 HydrophobicContact CG2-CH2 4.01Å; I470-W526 HydrophobicContact CG2-CZ2 3.79Å; L472-W526 HydrophobicContact CD1-CG 4.45Å; W526-L532 HydrophobicContact CE3-CB 4.29Å; W526-L532 HydrophobicContact CE3-CD1 4.34Å; W526-L532 HydrophobicContact CH2-CB 4.3Å; W526-L532 HydrophobicContact CH2-CD1 4.07Å; W526-L532 HydrophobicContact CZ2-CD1 4.41Å; W526-L532 HydrophobicContact CZ3-CB 3.72Å; W526-L532 HydrophobicContact CZ3-CD1 4.05Å; W526-L532 HydrophobicContact CZ3-CG 4.43Å
527L95.7Very high93.9Very high58 Ų5836.4 Ų36.430%0.30417%0.174SC..  trans-74.6165.3167-59.7-170.1000110.5H460 N529 G530 A531 K533H460-L527 HydrophobicContact CB-CD1 3.81Å; L527-N529 WeakPolarHBondContact CB-OD1 3.33Å; L527-N529 PolarHBondContact O-N 3.42Å; L527-G530 WeakPolarHBondContact O-CA 3.45Å; L527-G530 PolarHBondContact O-N 3.5Å; L527-A531 HydrophobicContact CB-CB 4.26Å; L527-A531 HydrophobicContact CD1-CB 4.19Å; L527-A531 HydrophobicContact CG-CB 4.42Å; L527-A531 PolarHBondContact N-O 2.84Å; L527-K533 HydrophobicContact CD2-CB 4.17Å; L527-K533 HydrophobicContact CD2-CD 4.11Å; L527-K533 HydrophobicContact CG-CB 4.25Å
528K94Very high93.1Very high226 Ų22636.8 Ų36.898%0.98318%0.176SC*.THydrogen-bonded Turntrans-58.3-33.4-177.8-69.1-174178.1-177.30113.4G530K528-G530 PolarHBondContact O-N 3.11Å
529N93Very high92Very high37 Ų3742.8 Ų42.820%0.19820%0.203CC..THydrogen-bonded Turntrans-81.95.2175.267.9-16.2000113.1T43 N45 Q46 L527 A531T43-N529 PolarHBondContact O-ND2 3.19Å; N45-N529 CarbonylContact C-O 3.6Å; N45-N529 WeakPolarHBondContact CA-O 3.33Å; Q46-N529 PolarHBondContact N-O 3.34Å; Q46-N529 PolarHBondContact NE2-ND2 3.41Å; L527-N529 WeakPolarHBondContact CB-OD1 3.33Å; L527-N529 PolarHBondContact O-N 3.42Å; N529-A531 VanDerWaalsContact C-N 3.34Å; N529-A531 PolarHBondContact O-N 3.14Å; N529-A531 VanDerWaalsContact OD1-CB 3.3Å; N529-A531 WeakPolarHBondContact OD1-CB 3.47Å; N529-A531 PolarHBondContact OD1-N 2.91Å; N529-A531 VanDerWaalsContact OD1-N 3.12Å
530G95.3Very high91Very high0 Ų041.6 Ų41.60%020%0.197CC..SBendtrans79.57.5-177.800000115.3S47 L527 K528S47-G530 WeakPolarHBondContact CB-O 3.47Å; S47-G530 WeakPolarHBondContact OG-CA 3.2Å; S47-G530 PolarHBondContact OG-O 3.49Å; L527-G530 WeakPolarHBondContact O-CA 3.45Å; L527-G530 PolarHBondContact O-N 3.5Å; K528-G530 PolarHBondContact O-N 3.11Å
531A95.7Very high90.2Very high0 Ų040.7 Ų40.70%019%0.192CC..  trans-68.5141.1172.600000110.5Q46 H460 L527 N529Q46-A531 HydrophobicContact CB-CB 4.3Å; Q46-A531 HydrophobicContact CG-CB 4.41Å; Q46-A531 VanDerWaalsContact OE1-CB 3.24Å; H460-A531 HydrophobicContact CB-CB 4.38Å; L527-A531 HydrophobicContact CB-CB 4.26Å; L527-A531 HydrophobicContact CD1-CB 4.19Å; L527-A531 HydrophobicContact CG-CB 4.42Å; L527-A531 PolarHBondContact N-O 2.84Å; N529-A531 VanDerWaalsContact C-N 3.34Å; N529-A531 PolarHBondContact O-N 3.14Å; N529-A531 VanDerWaalsContact OD1-CB 3.3Å; N529-A531 WeakPolarHBondContact OD1-CB 3.47Å; N529-A531 PolarHBondContact OD1-N 2.91Å; N529-A531 VanDerWaalsContact OD1-N 3.12Å
532L97.2Very high89.6Confident0 Ų040.5 Ų40.50%019%0.186CC..EExtended strand (participates in β ladder)trans-80.8129.5174.1-179.862.8000109.8Y439 H460 V461 G462 I470 I490 W526 I534Y439-L532 HydrophobicContact CD1-CD2 3.97Å; Y439-L532 HydrophobicContact CE1-CD2 4.16Å; H460-L532 WeakPolarHBondContact CB-O 3.43Å; V461-L532 HydrophobicContact CG2-CB 4.02Å; V461-L532 HydrophobicContact CG2-CD2 4.05Å; V461-L532 HydrophobicContact CG2-CG 3.92Å; V461-L532 WeakPolarHBondContact CG2-O 3.3Å; V461-L532 PolarHBondContact N-O 2.64Å; G462-L532 PolarHBondContact O-N 3.11Å; I470-L532 HydrophobicContact CD1-CD2 4.02Å; I490-L532 HydrophobicContact CD1-CD1 4.24Å; I490-L532 HydrophobicContact CD1-CD2 4.32Å; I490-L532 HydrophobicContact CG1-CD1 4.48Å; W526-L532 HydrophobicContact CE3-CB 4.29Å; W526-L532 HydrophobicContact CE3-CD1 4.34Å; W526-L532 HydrophobicContact CH2-CB 4.3Å; W526-L532 HydrophobicContact CH2-CD1 4.07Å; W526-L532 HydrophobicContact CZ2-CD1 4.41Å; W526-L532 HydrophobicContact CZ3-CB 3.72Å; W526-L532 HydrophobicContact CZ3-CD1 4.05Å; W526-L532 HydrophobicContact CZ3-CG 4.43Å; L532-I534 HydrophobicContact CD2-CD1 4.13Å; L532-I534 HydrophobicContact CG-CD1 4.19Å
533K95.3Very high88.6Confident74 Ų7442.6 Ų42.632%0.32219%0.194SC..EExtended strand (participates in β ladder)trans-116.8128.6170.2164.1172.5-173.9-177.80110.1H459 H460 G524 V525 L527H459-K533 WeakPolarHBondContact O-CD 3.27Å; H459-K533 WeakPolarHBondContact O-CG 3.27Å; H460-K533 HydrophobicContact CB-CB 4.13Å; G524-K533 CarbonylContact C-O 3.56Å; G524-K533 VanDerWaalsContact CA-O 3.27Å; G524-K533 WeakPolarHBondContact CA-O 3.36Å; V525-K533 HydrophobicContact CG2-CB 3.73Å; V525-K533 HydrophobicContact CG2-CD 3.96Å; V525-K533 HydrophobicContact CG2-CG 3.85Å; V525-K533 PolarHBondContact N-O 2.95Å; V525-K533 PolarHBondContact O-N 2.95Å; L527-K533 HydrophobicContact CD2-CB 4.17Å; L527-K533 HydrophobicContact CD2-CD 4.11Å; L527-K533 HydrophobicContact CG-CB 4.25Å
534I93.4Very high87.8Confident33 Ų3342.7 Ų42.717%0.16920%0.195CC..EExtended strand (participates in β ladder)trans-81.1134.2173-47.2-54.7000109Y439 V461 I490 L532Y439-I534 HydrophobicContact CD1-CD1 4Å; Y439-I534 HydrophobicContact CD2-CD1 3.7Å; Y439-I534 HydrophobicContact CD2-CG1 3.9Å; Y439-I534 HydrophobicContact CE1-CD1 3.94Å; Y439-I534 HydrophobicContact CE2-CD1 3.64Å; Y439-I534 HydrophobicContact CE2-CG1 4.13Å; Y439-I534 HydrophobicContact CG-CD1 3.89Å; Y439-I534 HydrophobicContact CG-CG1 4.31Å; V461-I534 HydrophobicContact CG1-CG1 4.07Å; V461-I534 HydrophobicContact CG2-CD1 3.88Å; V461-I534 HydrophobicContact CG2-CG1 3.84Å; I490-I534 HydrophobicContact CD1-CD1 3.39Å; L532-I534 HydrophobicContact CD2-CD1 4.13Å; L532-I534 HydrophobicContact CG-CD1 4.19Å
535V88.4Confident86.9Confident42 Ų4246 Ų4626%0.25522%0.218SC..EExtended strand (participates in β ladder)trans-95.6-62.7178.6-179.70000110.4V523 V525 L541V523-V535 HydrophobicContact CB-CB 4.27Å; V523-V535 HydrophobicContact CG1-CB 4.1Å; V523-V535 HydrophobicContact CG1-CG2 4.33Å; V523-V535 WeakPolarHBondContact O-CB 3.38Å; V523-V535 PolarHBondContact O-N 3.19Å; V525-V535 HydrophobicContact CG1-CG2 3.89Å; V525-V535 HydrophobicContact CG2-CG2 4.29Å; V535-L541 HydrophobicContact CG1-CD1 4.32Å
536D82.9Confident85.8Confident3 Ų348.7 Ų48.72%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-169.7-164.7173-150-57.4000107.9V523 N540 L541 A551 P552 E553 R684V523-D536 PolarHBondContact N-O 3.35Å; D536-N540 WeakPolarHBondContact OD1-CB 3.39Å; D536-L541 HydrophobicContact CB-CB 4.4Å; D536-L541 HydrophobicContact CB-CD1 3.96Å; D536-A551 HydrophobicContact CB-CB 3.87Å; D536-A551 WeakPolarHBondContact OD2-CA 3.29Å; D536-A551 WeakPolarHBondContact OD2-CB 3.4Å; D536-P552 WeakPolarHBondContact OD2-CD 3.28Å; D536-P552 VanDerWaalsContact OD2-N 3.11Å; D536-E553 PolarHBondContact OD2-N 3.42Å; D536-R684 IonicContact OD1-NH1 3.75Å; D536-R684 PolarHBondContact OD1-NH1 3.44Å; D536-R684 IonicContact OD2-NH1 3.71Å
537R83.4Confident84.3Confident104 Ų10447.8 Ų47.839%0.39224%0.235SC..EExtended strand (participates in β ladder)trans-89.2147.8168.6-53.3-155.3150158.4-9.2112.7G521 D522 K539 N540 L541G521-R537 CarbonylContact O-C 3.6Å; G521-R537 VanDerWaalsContact O-CA 3.26Å; G521-R537 WeakPolarHBondContact O-CA 3.26Å; G521-R537 WeakPolarHBondContact O-CB 3.42Å; D522-R537 VanDerWaalsContact OD1-CG 3.28Å; D522-R537 WeakPolarHBondContact OD1-CG 3.31Å; D522-R537 IonicContact OD1-NE 3.31Å; D522-R537 PolarHBondContact OD1-NE 3.43Å; D522-R537 VanDerWaalsContact OD1-NE 3.13Å; R537-K539 VanDerWaalsContact C-N 3.28Å; R537-K539 PolarHBondContact O-N 3.33Å; R537-N540 HydrophobicContact CB-CB 3.94Å; R537-N540 WeakPolarHBondContact CG-ND2 3.44Å; R537-N540 PolarHBondContact O-N 2.89Å; R537-L541 WeakPolarHBondContact O-CB 3.43Å; R537-L541 PolarHBondContact O-N 3.43Å
538T80.8Confident83.5Confident10 Ų1049 Ų496%0.06124%0.239CC..THydrogen-bonded Turntrans-52.7-45.6173.656.70000111.8V475 E489 G521 V523 N540V475-T538 HydrophobicContact CG1-CG2 4.15Å; V475-T538 HydrophobicContact CG2-CG2 4.1Å; E489-T538 HydrophobicContact CB-CG2 4.08Å; E489-T538 HydrophobicContact CG-CG2 4.34Å; G521-T538 PolarHBondContact O-N 2.79Å; G521-T538 PolarHBondContact O-OG1 3.24Å; V523-T538 HydrophobicContact CG2-CG2 3.68Å; T538-N540 VanDerWaalsContact C-N 3.32Å; T538-N540 PolarHBondContact O-N 3.37Å
539K76.3Confident82.9Confident128 Ų12840 Ų4056%0.55720%0.2SC*.THydrogen-bonded Turntrans-78.6-7.6-179.3-66.1179.2-177.9174.10115E510 R537E510-K539 IonicContact OE1-NZ 3.6Å; R537-K539 VanDerWaalsContact C-N 3.28Å; R537-K539 PolarHBondContact O-N 3.33Å
540N76.6Confident82.4Confident16 Ų1638.3 Ų38.39%0.08619%0.19CC..THydrogen-bonded Turntrans-113.3-34.8-177.1-68.2-23.4000113.3D536 R537 T538 F542 P552 R684D536-N540 WeakPolarHBondContact OD1-CB 3.39Å; R537-N540 HydrophobicContact CB-CB 3.94Å; R537-N540 WeakPolarHBondContact CG-ND2 3.44Å; R537-N540 PolarHBondContact O-N 2.89Å; T538-N540 VanDerWaalsContact C-N 3.32Å; T538-N540 PolarHBondContact O-N 3.37Å; N540-F542 PolarHBondContact O-N 3Å; N540-P552 HydrophobicContact CB-CG 4.43Å; N540-P552 WeakPolarHBondContact O-CG 3.28Å; N540-R684 VanDerWaalsContact CG-CD 3.48Å; N540-R684 VanDerWaalsContact CG-NH1 3.27Å; N540-R684 PolarHBondContact ND2-NH1 3.43Å; N540-R684 WeakPolarHBondContact OD1-CD 3.46Å
541L76.6Confident81.9Confident8 Ų838.8 Ų38.84%0.04219%0.194CC..  trans-55.1135.3172.6-166.979.5000107.8M478 I480 V535 D536 R537 Y549 V550 A551M478-L541 HydrophobicContact CE-CB 4.35Å; M478-L541 WeakPolarHBondContact CE-O 3.48Å; I480-L541 HydrophobicContact CD1-CD2 3.59Å; V535-L541 HydrophobicContact CG1-CD1 4.32Å; D536-L541 HydrophobicContact CB-CB 4.4Å; D536-L541 HydrophobicContact CB-CD1 3.96Å; R537-L541 WeakPolarHBondContact O-CB 3.43Å; R537-L541 PolarHBondContact O-N 3.43Å; L541-Y549 HydrophobicContact CD2-CD1 3.74Å; L541-Y549 HydrophobicContact CD2-CE1 4.44Å; L541-Y549 HydrophobicContact CD2-CG 4.23Å; L541-Y549 HydrophobicContact CG-CD1 4.24Å; L541-V550 WeakPolarHBondContact CD1-O 3.35Å; L541-A551 HydrophobicContact CD1-CB 4.12Å
542F79.5Confident81.7Confident12 Ų1238.9 Ų38.95%0.05320%0.195CC..EExtended strand (participates in β ladder)trans-126.4145172.355.1-101.9000110.1N540 L544 Y549 V550 P552 V570 G572 A579N540-F542 PolarHBondContact O-N 3Å; F542-L544 HydrophobicContact CD2-CD2 3.88Å; F542-L544 HydrophobicContact CD2-CG 4.33Å; F542-L544 HydrophobicContact CE2-CD2 3.83Å; F542-L544 HydrophobicContact CE2-CG 4.32Å; F542-Y549 WeakPolarHBondContact O-CA 3.2Å; F542-V550 HydrophobicContact CD2-CB 3.86Å; F542-V550 HydrophobicContact CD2-CG2 4.36Å; F542-V550 HydrophobicContact CE1-CB 4.49Å; F542-V550 HydrophobicContact CE1-CG1 4.37Å; F542-V550 HydrophobicContact CE2-CB 3.31Å; F542-V550 HydrophobicContact CE2-CG1 3.71Å; F542-V550 HydrophobicContact CE2-CG2 3.75Å; F542-V550 HydrophobicContact CZ-CB 3.67Å; F542-V550 HydrophobicContact CZ-CG1 3.54Å; F542-V550 HydrophobicContact CZ-CG2 4.44Å; F542-V550 PolarHBondContact N-O 3.45Å; F542-V550 PolarHBondContact O-N 2.85Å; F542-P552 HydrophobicContact CD1-CG 4.2Å; F542-P552 HydrophobicContact CE1-CB 3.88Å; F542-P552 HydrophobicContact CE1-CG 3.91Å; F542-V570 HydrophobicContact CE1-CG1 4.41Å; F542-V570 HydrophobicContact CZ-CG1 4.16Å; F542-G572 VanDerWaalsContact CD2-CA 3.5Å; F542-A579 HydrophobicContact CE2-CB 3.93Å; F542-A579 HydrophobicContact CZ-CB 3.73Å
543K73.4Confident81.2Confident60 Ų6040.9 Ų40.926%0.26120%0.204SC..EExtended strand (participates in β ladder)trans-93.3138.6170.3-163.4174.7-168.8157.80107.9G547 E548 Y549 H573 S574K543-G547 VanDerWaalsContact CE-O 3.25Å; K543-G547 WeakPolarHBondContact CE-O 3.48Å; K543-E548 CarbonylContact C-O 3.48Å; K543-E548 WeakPolarHBondContact CA-O 3.41Å; K543-Y549 HydrophobicContact CB-CD1 3.89Å; K543-Y549 HydrophobicContact CB-CE1 3.79Å; K543-Y549 HydrophobicContact CD-CD1 4.49Å; K543-Y549 HydrophobicContact CD-CE1 3.76Å; K543-Y549 HydrophobicContact CG-CD1 4.07Å; K543-Y549 HydrophobicContact CG-CE1 3.84Å; K543-Y549 PolarHBondContact NZ-OH 2.88Å; K543-H573 CarbonylContact O-C 3.56Å; K543-S574 WeakPolarHBondContact O-CA 3.31Å; K543-S574 PolarHBondContact O-N 2.83Å
544L76.9Confident80.7Confident3 Ų342.1 Ų42.12%0.01621%0.21CC..  trans-91.5165.7170.7-62177.2000110.1F542 Q546 G547 E548 V550 K576 F656F542-L544 HydrophobicContact CD2-CD2 3.88Å; F542-L544 HydrophobicContact CD2-CG 4.33Å; F542-L544 HydrophobicContact CE2-CD2 3.83Å; F542-L544 HydrophobicContact CE2-CG 4.32Å; L544-Q546 HydrophobicContact CB-CG 4.45Å; L544-Q546 PolarHBondContact O-N 3.39Å; L544-Q546 VanDerWaalsContact O-N 3.1Å; L544-G547 WeakPolarHBondContact O-CA 3.34Å; L544-G547 PolarHBondContact O-N 3.34Å; L544-E548 PolarHBondContact N-O 3.22Å; L544-V550 HydrophobicContact CD1-CG2 3.74Å; L544-V550 HydrophobicContact CG-CG2 4.12Å; L544-K576 CarbonylContact C-O 3.56Å; L544-K576 WeakPolarHBondContact CA-O 3.16Å; L544-K576 WeakPolarHBondContact CB-O 3.48Å; L544-F656 HydrophobicContact CD1-CB 4.19Å; L544-F656 HydrophobicContact CD1-CD2 4.39Å; L544-F656 WeakPolarHBondContact CD1-O 3.45Å
545S77.1Confident80.5Confident69 Ų6940.5 Ų40.548%0.48320%0.202SC..THydrogen-bonded Turntrans-60.2-25.1-17559.60000114.3G547 S574 K576 S577S545-G547 PolarHBondContact O-N 2.77Å; S545-S574 VanDerWaalsContact CA-O 3.25Å; S545-S574 WeakPolarHBondContact CA-O 3.34Å; S545-S574 PolarHBondContact N-O 2.99Å; S545-K576 PolarHBondContact N-O 3.42Å; S545-K576 PolarHBondContact OG-O 3.3Å; S545-S577 VanDerWaalsContact OG-CA 3.28Å; S545-S577 WeakPolarHBondContact OG-CA 3.24Å; S545-S577 WeakPolarHBondContact OG-CB 3.25Å; S545-S577 PolarHBondContact OG-N 2.94Å
546Q73.5Confident80.8Confident88 Ų8839 Ų3941%0.41119%0.191SC..THydrogen-bonded Turntrans-77.3-2.4173.463.5-8922.900113.9L544 E548 S577L544-Q546 HydrophobicContact CB-CG 4.45Å; L544-Q546 PolarHBondContact O-N 3.39Å; L544-Q546 VanDerWaalsContact O-N 3.1Å; Q546-E548 HydrophobicContact CG-CB 4.06Å; Q546-E548 HydrophobicContact CG-CG 3.78Å; Q546-S577 PolarHBondContact NE2-O 2.98Å; Q546-S577 PolarHBondContact OE1-O 3.3Å
547G66.1Low81Confident32 Ų3241.4 Ų41.433%0.3320%0.203SC..SBendtrans90.2-5.2178.700000115.5K543 L544 S545K543-G547 VanDerWaalsContact CE-O 3.25Å; K543-G547 WeakPolarHBondContact CE-O 3.48Å; L544-G547 WeakPolarHBondContact O-CA 3.34Å; L544-G547 PolarHBondContact O-N 3.34Å; S545-G547 PolarHBondContact O-N 2.77Å
548E79.2Confident81.2Confident83 Ų8336.9 Ų36.939%0.38819%0.187SC..  trans-71.2136.6175.6-66.8-67.5161.400111.3K543 L544 Q546 F656K543-E548 CarbonylContact C-O 3.48Å; K543-E548 WeakPolarHBondContact CA-O 3.41Å; L544-E548 PolarHBondContact N-O 3.22Å; Q546-E548 HydrophobicContact CG-CB 4.06Å; Q546-E548 HydrophobicContact CG-CG 3.78Å; E548-F656 HydrophobicContact CB-CD1 4.32Å; E548-F656 HydrophobicContact CB-CD2 3.78Å; E548-F656 HydrophobicContact CB-CE1 4.24Å; E548-F656 HydrophobicContact CB-CE2 3.75Å; E548-F656 HydrophobicContact CB-CG 4.08Å; E548-F656 HydrophobicContact CB-CZ 3.97Å; E548-F656 HydrophobicContact CG-CD1 3.92Å; E548-F656 HydrophobicContact CG-CD2 4.29Å; E548-F656 HydrophobicContact CG-CE1 3.83Å; E548-F656 HydrophobicContact CG-CE2 4.26Å; E548-F656 HydrophobicContact CG-CG 4.13Å; E548-F656 HydrophobicContact CG-CZ 4.03Å; E548-F656 WeakPolarHBondContact OE2-CE1 3.34Å; E548-F656 WeakPolarHBondContact OE2-CZ 3.17Å
549Y79.8Confident81.8Confident39 Ų3936.4 Ų36.415%0.15318%0.184CC..EExtended strand (participates in β ladder)trans-91.4137.6172.2-64.7-81000110.4M478 G479 I480 M487 L541 F542 K543M478-Y549 WeakPolarHBondContact O-CE1 3.37Å; M478-Y549 PolarHBondContact O-OH 3.05Å; G479-Y549 VanDerWaalsContact C-OH 3.3Å; G479-Y549 PolarHBondContact O-OH 3.21Å; I480-Y549 HydrophobicContact CD1-CE1 4.36Å; I480-Y549 HydrophobicContact CG1-CE1 3.99Å; I480-Y549 HydrophobicContact CG1-CE2 4.44Å; M487-Y549 HydrophobicContact CE-CD2 3.78Å; M487-Y549 HydrophobicContact CE-CE2 3.94Å; M487-Y549 HydrophobicContact CE-CG 4.44Å; L541-Y549 HydrophobicContact CD2-CD1 3.74Å; L541-Y549 HydrophobicContact CD2-CE1 4.44Å; L541-Y549 HydrophobicContact CD2-CG 4.23Å; L541-Y549 HydrophobicContact CG-CD1 4.24Å; F542-Y549 WeakPolarHBondContact O-CA 3.2Å; K543-Y549 HydrophobicContact CB-CD1 3.89Å; K543-Y549 HydrophobicContact CB-CE1 3.79Å; K543-Y549 HydrophobicContact CD-CD1 4.49Å; K543-Y549 HydrophobicContact CD-CE1 3.76Å; K543-Y549 HydrophobicContact CG-CD1 4.07Å; K543-Y549 HydrophobicContact CG-CE1 3.84Å; K543-Y549 PolarHBondContact NZ-OH 2.88Å
550V82.4Confident82.6Confident0 Ų032.6 Ų32.60%017%0.169CC..EExtended strand (participates in β ladder)trans-118.2126.8173.6178.90000108.2L541 F542 L544 P552 V555 F656L541-V550 WeakPolarHBondContact CD1-O 3.35Å; F542-V550 HydrophobicContact CD2-CB 3.86Å; F542-V550 HydrophobicContact CD2-CG2 4.36Å; F542-V550 HydrophobicContact CE1-CB 4.49Å; F542-V550 HydrophobicContact CE1-CG1 4.37Å; F542-V550 HydrophobicContact CE2-CB 3.31Å; F542-V550 HydrophobicContact CE2-CG1 3.71Å; F542-V550 HydrophobicContact CE2-CG2 3.75Å; F542-V550 HydrophobicContact CZ-CB 3.67Å; F542-V550 HydrophobicContact CZ-CG1 3.54Å; F542-V550 HydrophobicContact CZ-CG2 4.44Å; F542-V550 PolarHBondContact N-O 3.45Å; F542-V550 PolarHBondContact O-N 2.85Å; L544-V550 HydrophobicContact CD1-CG2 3.74Å; L544-V550 HydrophobicContact CG-CG2 4.12Å; V550-P552 WeakPolarHBondContact O-CD 3.27Å; V550-V555 HydrophobicContact CG1-CG2 3.78Å; V550-F656 HydrophobicContact CG2-CD2 3.76Å; V550-F656 HydrophobicContact CG2-CE2 4.05Å
551A86.2Confident83.1Confident11 Ų1133.5 Ų33.59%0.09117%0.173CC..  trans-88.597.2169.200000108.8D536 L541 E553 K554 V555D536-A551 HydrophobicContact CB-CB 3.87Å; D536-A551 WeakPolarHBondContact OD2-CA 3.29Å; D536-A551 WeakPolarHBondContact OD2-CB 3.4Å; L541-A551 HydrophobicContact CD1-CB 4.12Å; A551-E553 PolarHBondContact O-N 2.98Å; A551-E553 VanDerWaalsContact O-N 3.17Å; A551-K554 HydrophobicContact CB-CB 4.23Å; A551-K554 WeakPolarHBondContact O-CB 3.41Å; A551-K554 PolarHBondContact O-N 2.98Å; A551-K554 VanDerWaalsContact O-N 3.15Å; A551-V555 PolarHBondContact O-N 3.3Å
552P90.1Very high83.8Confident2 Ų233.2 Ų33.21%0.01317%0.171CC..Hα-helixtrans-58.2-28.8-17720.6-32.5000113.5D536 N540 F542 V550 K554 V555 E556 V570 R684D536-P552 WeakPolarHBondContact OD2-CD 3.28Å; D536-P552 VanDerWaalsContact OD2-N 3.11Å; N540-P552 HydrophobicContact CB-CG 4.43Å; N540-P552 WeakPolarHBondContact O-CG 3.28Å; F542-P552 HydrophobicContact CD1-CG 4.2Å; F542-P552 HydrophobicContact CE1-CB 3.88Å; F542-P552 HydrophobicContact CE1-CG 3.91Å; V550-P552 WeakPolarHBondContact O-CD 3.27Å; P552-K554 VanDerWaalsContact C-N 3.3Å; P552-K554 PolarHBondContact O-N 3.34Å; P552-V555 PolarHBondContact O-N 2.97Å; P552-E556 WeakPolarHBondContact O-CB 3.43Å; P552-E556 WeakPolarHBondContact O-CG 3.49Å; P552-E556 PolarHBondContact O-N 3.27Å; P552-V570 HydrophobicContact CB-CB 4.16Å; P552-V570 HydrophobicContact CB-CG1 4.37Å; P552-R684 VanDerWaalsContact CB-NH2 3.29Å
553E87Confident84.4Confident41 Ų4136.5 Ų36.519%0.19219%0.189CC..Hα-helixtrans-63.5-41.1179.6-68.6-167.1178.900110.6D536 A551 V555 E556 Q557 R684D536-E553 PolarHBondContact OD2-N 3.42Å; A551-E553 PolarHBondContact O-N 2.98Å; A551-E553 VanDerWaalsContact O-N 3.17Å; E553-V555 VanDerWaalsContact C-N 3.33Å; E553-V555 PolarHBondContact O-N 3.26Å; E553-E556 PolarHBondContact O-N 2.92Å; E553-Q557 WeakPolarHBondContact O-CB 3.5Å; E553-Q557 WeakPolarHBondContact O-CG 3.46Å; E553-Q557 PolarHBondContact O-N 3.34Å; E553-R684 VanDerWaalsContact CA-NH2 3.3Å; E553-R684 VanDerWaalsContact CG-CZ 3.46Å; E553-R684 IonicContact OE1-NH1 3.63Å; E553-R684 PolarHBondContact OE1-NH1 2.89Å
554K85Confident85.3Confident100 Ų10033.9 Ų33.944%0.43518%0.178SC..Hα-helixtrans-59.8-45.3175.7-178.9-166.7170.8-156.20111.3A551 P552 T558 L653 E657A551-K554 HydrophobicContact CB-CB 4.23Å; A551-K554 WeakPolarHBondContact O-CB 3.41Å; A551-K554 PolarHBondContact O-N 2.98Å; A551-K554 VanDerWaalsContact O-N 3.15Å; P552-K554 VanDerWaalsContact C-N 3.3Å; P552-K554 PolarHBondContact O-N 3.34Å; K554-T558 WeakPolarHBondContact O-CB 3.31Å; K554-T558 PolarHBondContact O-N 3.48Å; K554-T558 VanDerWaalsContact O-N 3.1Å; K554-T558 PolarHBondContact O-OG1 2.79Å; K554-L653 HydrophobicContact CD-CD2 4.18Å; K554-L653 VanDerWaalsContact CE-CD2 3.49Å; K554-L653 HydrophobicContact CG-CD2 4.25Å; K554-E657 IonicContact NZ-OE1 2.72Å; K554-E657 PolarHBondContact NZ-OE1 2.95Å; K554-E657 IonicContact NZ-OE2 3.13Å; K554-E657 PolarHBondContact NZ-OE2 3.05Å
555V90.2Very high86.1Confident0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-66-47.5-178.6-177.40000110.7V550 A551 P552 E553 T558 Y559 V570 L653 E657V550-V555 HydrophobicContact CG1-CG2 3.78Å; A551-V555 PolarHBondContact O-N 3.3Å; P552-V555 PolarHBondContact O-N 2.97Å; E553-V555 VanDerWaalsContact C-N 3.33Å; E553-V555 PolarHBondContact O-N 3.26Å; V555-T558 WeakPolarHBondContact O-CB 3.46Å; V555-T558 PolarHBondContact O-N 3.01Å; V555-Y559 HydrophobicContact CG1-CD2 3.75Å; V555-Y559 HydrophobicContact CG1-CE2 3.3Å; V555-Y559 WeakPolarHBondContact O-CD2 3.14Å; V555-Y559 PolarHBondContact O-N 3.46Å; V555-V570 HydrophobicContact CB-CG2 4.38Å; V555-V570 HydrophobicContact CG1-CG1 4.4Å; V555-V570 HydrophobicContact CG1-CG2 3.93Å; V555-L653 HydrophobicContact CB-CD1 4.24Å; V555-L653 HydrophobicContact CG1-CD1 3.94Å; V555-L653 HydrophobicContact CG2-CD1 4.2Å; V555-E657 WeakPolarHBondContact CG1-O 3.38Å; V555-E657 HydrophobicContact CG2-CB 4.07Å
556E92.8Very high86.9Confident9 Ų935.1 Ų35.14%0.04218%0.176CC..Hα-helixtrans-61.1-46.4178.4-70.2162.1173.800112P552 E553 T558 Y559 L560 V568 V570 L682 R684P552-E556 WeakPolarHBondContact O-CB 3.43Å; P552-E556 WeakPolarHBondContact O-CG 3.49Å; P552-E556 PolarHBondContact O-N 3.27Å; E553-E556 PolarHBondContact O-N 2.92Å; E556-T558 VanDerWaalsContact C-N 3.28Å; E556-T558 PolarHBondContact O-N 2.9Å; E556-Y559 PolarHBondContact O-N 3.11Å; E556-L560 WeakPolarHBondContact O-CG 3.38Å; E556-L560 PolarHBondContact O-N 2.98Å; E556-L560 VanDerWaalsContact O-N 3.1Å; E556-V568 HydrophobicContact CB-CG1 4.04Å; E556-V568 HydrophobicContact CG-CG1 4.31Å; E556-V570 HydrophobicContact CG-CB 3.96Å; E556-V570 HydrophobicContact CG-CG2 3.63Å; E556-V570 PolarHBondContact OE1-N 2.84Å; E556-L682 VanDerWaalsContact CD-CD1 3.41Å; E556-L682 HydrophobicContact CG-CD1 4.35Å; E556-L682 WeakPolarHBondContact OE1-CD1 3.38Å; E556-L682 VanDerWaalsContact OE2-CD1 3.25Å; E556-L682 WeakPolarHBondContact OE2-CD1 3.13Å; E556-R684 VanDerWaalsContact CD-NH2 3.28Å; E556-R684 IonicContact OE1-NE 3.96Å; E556-R684 IonicContact OE1-NH2 3.63Å; E556-R684 PolarHBondContact OE1-NH2 3.29Å; E556-R684 IonicContact OE2-CZ 3.89Å; E556-R684 IonicContact OE2-NE 3.32Å; E556-R684 IonicContact OE2-NH2 3.43Å; E556-R684 PolarHBondContact OE2-NH2 3.32Å
557Q88Confident87.9Confident55 Ų5532 Ų3226%0.25716%0.162SC..Hα-helixtrans-60.6-39.1176.7-70.8-58.2-36.600111.8E553 L560 F561E553-Q557 WeakPolarHBondContact O-CB 3.5Å; E553-Q557 WeakPolarHBondContact O-CG 3.46Å; E553-Q557 PolarHBondContact O-N 3.34Å; Q557-L560 PolarHBondContact O-N 2.89Å; Q557-F561 WeakPolarHBondContact O-CD2 3.18Å
558T87.6Confident89.3Confident9 Ų930.7 Ų30.76%0.05515%0.147CC..Hα-helixtrans-65.2-42.7176.1-56.50000111.3K554 V555 E556 L560 F561 A648 K651 L653K554-T558 WeakPolarHBondContact O-CB 3.31Å; K554-T558 PolarHBondContact O-N 3.48Å; K554-T558 VanDerWaalsContact O-N 3.1Å; K554-T558 PolarHBondContact O-OG1 2.79Å; V555-T558 WeakPolarHBondContact O-CB 3.46Å; V555-T558 PolarHBondContact O-N 3.01Å; E556-T558 VanDerWaalsContact C-N 3.28Å; E556-T558 PolarHBondContact O-N 2.9Å; T558-L560 VanDerWaalsContact C-N 3.28Å; T558-L560 PolarHBondContact O-N 3.47Å; T558-F561 WeakPolarHBondContact O-CB 3.42Å; T558-F561 WeakPolarHBondContact O-CD2 3.42Å; T558-F561 PolarHBondContact O-N 3.02Å; T558-A648 HydrophobicContact CG2-CB 4.14Å; T558-K651 HydrophobicContact CG2-CB 3.68Å; T558-K651 HydrophobicContact CG2-CD 3.73Å; T558-K651 HydrophobicContact CG2-CG 4.32Å; T558-L653 HydrophobicContact CG2-CD1 3.93Å; T558-L653 HydrophobicContact CG2-CG 3.97Å
559Y93.5Very high90.1Very high0 Ų026.8 Ų26.80%013%0.129CC..Hα-helixtrans-65.8-27.5178.5-75.6-35.4000113.7V555 E556 F561 C562 I565 V568 V570 M644 N645 A648 L658 A659V555-Y559 HydrophobicContact CG1-CD2 3.75Å; V555-Y559 HydrophobicContact CG1-CE2 3.3Å; V555-Y559 WeakPolarHBondContact O-CD2 3.14Å; V555-Y559 PolarHBondContact O-N 3.46Å; E556-Y559 PolarHBondContact O-N 3.11Å; Y559-F561 PolarHBondContact O-N 3.33Å; Y559-F561 VanDerWaalsContact O-N 3.08Å; Y559-C562 VanDerWaalsContact O-CB 3.28Å; Y559-C562 WeakPolarHBondContact O-CB 3.23Å; Y559-C562 PolarHBondContact O-N 3.41Å; Y559-I565 WeakPolarHBondContact O-CD1 3.37Å; Y559-V568 HydrophobicContact CD2-CG2 3.99Å; Y559-V570 HydrophobicContact CD2-CG2 4.12Å; Y559-V570 HydrophobicContact CE2-CG2 4.07Å; Y559-M644 HydrophobicContact CD1-CB 3.8Å; Y559-M644 HydrophobicContact CD1-CE 3.63Å; Y559-M644 HydrophobicContact CD1-CG 4.09Å; Y559-M644 HydrophobicContact CD2-CE 3.44Å; Y559-M644 VanDerWaalsContact CD2-CE 3.44Å; Y559-M644 HydrophobicContact CE1-CB 4.04Å; Y559-M644 HydrophobicContact CE1-CE 3.8Å; Y559-M644 HydrophobicContact CE1-CG 3.87Å; Y559-M644 WeakPolarHBondContact CE1-O 3.46Å; Y559-M644 HydrophobicContact CE2-CE 3.61Å; Y559-M644 HydrophobicContact CG-CE 3.45Å; Y559-M644 VanDerWaalsContact CG-CE 3.45Å; Y559-N645 PolarHBondContact OH-OD1 2.92Å; Y559-A648 HydrophobicContact CD1-CB 4.04Å; Y559-A648 HydrophobicContact CE1-CB 3.6Å; Y559-L658 WeakPolarHBondContact OH-CA 3.49Å; Y559-A659 HydrophobicContact CE2-CB 4.21Å; Y559-A659 PolarHBondContact OH-N 2.83Å
560L92.4Very high90.9Very high47 Ų4725 Ų2525%0.24612%0.122CC..THydrogen-bonded Turntrans-64.8-9.4175.7-69.5175000114.3E556 Q557 T558 C562 I565 V568E556-L560 WeakPolarHBondContact O-CG 3.38Å; E556-L560 PolarHBondContact O-N 2.98Å; E556-L560 VanDerWaalsContact O-N 3.1Å; Q557-L560 PolarHBondContact O-N 2.89Å; T558-L560 VanDerWaalsContact C-N 3.28Å; T558-L560 PolarHBondContact O-N 3.47Å; L560-C562 VanDerWaalsContact C-N 3.28Å; L560-I565 HydrophobicContact CD2-CG2 4.09Å; L560-V568 HydrophobicContact CD2-CG1 4.13Å; L560-V568 HydrophobicContact CG-CG1 4.24Å
561F88.5Confident91.4Very high36 Ų3625.3 Ų25.316%0.15812%0.124CC..THydrogen-bonded Turntrans-75.7-15.9169-73.4-92.6000113.7Y354 M355 D420 D422 V423 Q557 T558 Y559 D563 I647 K651Y354-F561 HydrophobicContact CE1-CD1 4.28Å; Y354-F561 AromaticContact CE1-CE1 3.87Å; Y354-F561 HydrophobicContact CE1-CE1 3.87Å; M355-F561 HydrophobicContact CE-CD1 4.43Å; D420-F561 HydrophobicContact CB-CE2 3.81Å; D420-F561 HydrophobicContact CB-CZ 3.8Å; D420-F561 WeakPolarHBondContact OD1-CZ 3.49Å; D420-F561 WeakPolarHBondContact OD2-CE2 3.47Å; D422-F561 HydrophobicContact CB-CE1 4.33Å; D422-F561 HydrophobicContact CB-CZ 4.39Å; V423-F561 HydrophobicContact CG2-CE1 4.27Å; V423-F561 HydrophobicContact CG2-CZ 3.84Å; Q557-F561 WeakPolarHBondContact O-CD2 3.18Å; T558-F561 WeakPolarHBondContact O-CB 3.42Å; T558-F561 WeakPolarHBondContact O-CD2 3.42Å; T558-F561 PolarHBondContact O-N 3.02Å; Y559-F561 PolarHBondContact O-N 3.33Å; Y559-F561 VanDerWaalsContact O-N 3.08Å; F561-D563 PolarHBondContact O-N 3.03Å; F561-I647 HydrophobicContact CB-CG2 3.89Å; F561-K651 HydrophobicContact CB-CD 4.32Å; F561-K651 VanDerWaalsContact CD1-CE 3.41Å; F561-K651 HydrophobicContact CD2-CD 3.87Å; F561-K651 VanDerWaalsContact CD2-NZ 3.3Å; F561-K651 HydrophobicContact CE2-CD 4.36Å; F561-K651 HydrophobicContact CG-CD 4.03Å
562C91Very high91.6Very high2 Ų225 Ų251%0.01412%0.121CC..SBendtrans-76.6114.5170.7-170.70000109.4Y559 L560 L564 I565 M644 I647Y559-C562 VanDerWaalsContact O-CB 3.28Å; Y559-C562 WeakPolarHBondContact O-CB 3.23Å; Y559-C562 PolarHBondContact O-N 3.41Å; L560-C562 VanDerWaalsContact C-N 3.28Å; C562-L564 PolarHBondContact O-N 3.27Å; C562-L564 VanDerWaalsContact O-N 3.09Å; C562-I565 HydrophobicContact CB-CB 4.46Å; C562-I565 HydrophobicContact CB-CD1 3.93Å; C562-I565 HydrophobicContact CB-CG1 3.97Å; C562-I565 WeakPolarHBondContact O-CB 3.28Å; C562-I565 PolarHBondContact O-N 3.06Å; C562-M644 HydrophobicContact CB-CB 4.4Å; C562-I647 HydrophobicContact CB-CD1 3.68Å
563D91Very high91.2Very high81 Ų8128.8 Ų28.843%0.43314%0.139SC..THydrogen-bonded Turntrans-68.6-10.6-175.977.9-27.7000114.1F561 I565 N586 R589F561-D563 PolarHBondContact O-N 3.03Å; D563-I565 VanDerWaalsContact C-N 3.28Å; D563-N586 WeakPolarHBondContact O-CB 3.44Å; D563-N586 PolarHBondContact O-ND2 3.13Å; D563-R589 WeakPolarHBondContact OD2-CD 3.38Å; D563-R589 IonicContact OD2-CZ 3.83Å; D563-R589 IonicContact OD2-NE 3.22Å; D563-R589 PolarHBondContact OD2-NE 3.43Å
564L93.2Very high90.7Very high5 Ų530.7 Ų30.73%0.02616%0.157CC..THydrogen-bonded Turntrans-73.5-17.2167.9-61.9175.9000113.2C562 P585 N586 R589 L590 E593 F639 K643C562-L564 PolarHBondContact O-N 3.27Å; C562-L564 VanDerWaalsContact O-N 3.09Å; L564-P585 CarbonylContact O-C 3.19Å; L564-P585 WeakPolarHBondContact O-CA 3.34Å; L564-P585 WeakPolarHBondContact O-CB 3.41Å; L564-N586 PolarHBondContact O-N 2.98Å; L564-R589 HydrophobicContact CD2-CB 4.07Å; L564-L590 HydrophobicContact CD2-CB 4.48Å; L564-L590 HydrophobicContact CD2-CD1 4.31Å; L564-E593 HydrophobicContact CD2-CG 3.97Å; L564-F639 HydrophobicContact CD1-CD1 4.16Å; L564-F639 HydrophobicContact CD1-CE1 3.56Å; L564-F639 HydrophobicContact CD1-CZ 4.39Å; L564-K643 HydrophobicContact CD1-CB 4.04Å; L564-K643 HydrophobicContact CD1-CG 4.13Å
565I94Very high90.3Very high11 Ų1133.5 Ų33.56%0.05618%0.176CC..EExtended strand (participates in β ladder)trans-99.6127.5-177.2-61.1-175.4000108.7Y559 L560 C562 D563 V568 V583 M644Y559-I565 WeakPolarHBondContact O-CD1 3.37Å; L560-I565 HydrophobicContact CD2-CG2 4.09Å; C562-I565 HydrophobicContact CB-CB 4.46Å; C562-I565 HydrophobicContact CB-CD1 3.93Å; C562-I565 HydrophobicContact CB-CG1 3.97Å; C562-I565 WeakPolarHBondContact O-CB 3.28Å; C562-I565 PolarHBondContact O-N 3.06Å; D563-I565 VanDerWaalsContact C-N 3.28Å; I565-V568 HydrophobicContact CG2-CB 3.9Å; I565-V568 HydrophobicContact CG2-CG1 4.15Å; I565-V583 HydrophobicContact CD1-CG1 4.43Å; I565-V583 HydrophobicContact CG1-CG1 4.04Å; I565-V583 HydrophobicContact CG2-CG1 4.4Å; I565-M644 HydrophobicContact CD1-CB 3.73Å; I565-M644 HydrophobicContact CD1-CE 3.52Å; I565-M644 HydrophobicContact CD1-SD 4.15Å
566Q92.9Very high90Very high86 Ų8635.5 Ų35.540%0.40218%0.184SC..EExtended strand (participates in β ladder)trans-102.6-42.4168.9172.8176.50.500110.7K584 N586Q566-K584 HydrophobicContact CB-CD 3.62Å; Q566-K584 HydrophobicContact CG-CD 3.71Å; Q566-K584 PolarHBondContact N-O 3.1Å; Q566-N586 HydrophobicContact CB-CB 4.25Å
567H94.1Very high89.5Confident23 Ų2338 Ų3811%0.10620%0.203CC..EExtended strand (participates in β ladder)trans-137.4151.7166.7-46.9128.8000110.7K584 F669H567-K584 HydrophobicContact CB-CB 4.05Å; H567-K584 PolarHBondContact N-O 3.35Å; H567-K584 PolarHBondContact O-N 3.22Å; H567-F669 HydrophobicContact CB-CB 4.36Å; H567-F669 HydrophobicContact CB-CD2 3.33Å; H567-F669 HydrophobicContact CB-CE2 3.65Å; H567-F669 HydrophobicContact CB-CG 3.9Å; H567-F669 HydrophobicContact CB-CZ 4.44Å; H567-F669 PolarHBondContact CE1-N 3.23Å; H567-F669 PolarHBondContact CE1-O 2.85Å; H567-F669 AromaticContact CG-CD2 3.89Å; H567-F669 AromaticContact ND1-CG 3.82Å; H567-F669 PolarHBondContact ND1-N 3.1Å; H567-F669 VanDerWaalsContact ND1-N 3.15Å
568V95.8Very high89.6Confident4 Ų437.1 Ų37.12%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-142.7141.4177.557.60000109E556 Y559 L560 I565 V570 A581 V582 V583 M644 L682E556-V568 HydrophobicContact CB-CG1 4.04Å; E556-V568 HydrophobicContact CG-CG1 4.31Å; Y559-V568 HydrophobicContact CD2-CG2 3.99Å; L560-V568 HydrophobicContact CD2-CG1 4.13Å; L560-V568 HydrophobicContact CG-CG1 4.24Å; I565-V568 HydrophobicContact CG2-CB 3.9Å; I565-V568 HydrophobicContact CG2-CG1 4.15Å; V568-V570 HydrophobicContact CG2-CG2 4.2Å; V568-A581 HydrophobicContact CG2-CB 4.18Å; V568-V582 CarbonylContact C-O 3.6Å; V568-V582 WeakPolarHBondContact CA-O 3.29Å; V568-V583 HydrophobicContact CG2-CG2 4.11Å; V568-M644 HydrophobicContact CG2-CE 4.24Å; V568-L682 WeakPolarHBondContact O-CD1 3.49Å
569Y96.5Very high89.9Confident1 Ų136.7 Ų36.70%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-133.1122.6173.5161.8-129.6000108.1E571 A581 V582 R684 L687 R688 F691 I695Y569-E571 PolarHBondContact OH-OE2 2.85Å; Y569-A581 CarbonylContact O-C 3.2Å; Y569-A581 WeakPolarHBondContact O-CA 3.49Å; Y569-A581 WeakPolarHBondContact O-CB 3.39Å; Y569-V582 HydrophobicContact CD1-CB 4.26Å; Y569-V582 HydrophobicContact CD1-CG2 4.3Å; Y569-V582 PolarHBondContact N-O 3.18Å; Y569-V582 PolarHBondContact O-N 3.07Å; Y569-R684 HydrophobicContact CD2-CG 4.39Å; Y569-R684 HydrophobicContact CE2-CB 4.5Å; Y569-R684 HydrophobicContact CE2-CG 4.17Å; Y569-L687 HydrophobicContact CD1-CB 3.72Å; Y569-L687 HydrophobicContact CD1-CD2 4.39Å; Y569-L687 HydrophobicContact CD1-CG 4.44Å; Y569-L687 HydrophobicContact CD2-CB 4.35Å; Y569-L687 HydrophobicContact CD2-CD1 4.22Å; Y569-L687 HydrophobicContact CE1-CB 3.65Å; Y569-L687 HydrophobicContact CE2-CB 4.35Å; Y569-L687 HydrophobicContact CG-CB 4.06Å; Y569-L687 HydrophobicContact CG-CD1 4.07Å; Y569-L687 HydrophobicContact CG-CG 4.47Å; Y569-R688 WeakPolarHBondContact OH-CA 3.41Å; Y569-R688 VanDerWaalsContact OH-CB 3.3Å; Y569-R688 WeakPolarHBondContact OH-CB 3.49Å; Y569-R688 PolarHBondContact OH-N 2.72Å; Y569-F691 HydrophobicContact CD1-CD2 4.43Å; Y569-I695 HydrophobicContact CE1-CD1 3.86Å
570V96.2Very high90.1Very high1 Ų136.7 Ų36.71%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-105.5135.3-177.8176.90000109.4F542 P552 V555 E556 Y559 V568 A579 V580 A581F542-V570 HydrophobicContact CE1-CG1 4.41Å; F542-V570 HydrophobicContact CZ-CG1 4.16Å; P552-V570 HydrophobicContact CB-CB 4.16Å; P552-V570 HydrophobicContact CB-CG1 4.37Å; V555-V570 HydrophobicContact CB-CG2 4.38Å; V555-V570 HydrophobicContact CG1-CG1 4.4Å; V555-V570 HydrophobicContact CG1-CG2 3.93Å; E556-V570 HydrophobicContact CG-CB 3.96Å; E556-V570 HydrophobicContact CG-CG2 3.63Å; E556-V570 PolarHBondContact OE1-N 2.84Å; Y559-V570 HydrophobicContact CD2-CG2 4.12Å; Y559-V570 HydrophobicContact CE2-CG2 4.07Å; V568-V570 HydrophobicContact CG2-CG2 4.2Å; V570-A579 HydrophobicContact CG1-CB 4Å; V570-V580 WeakPolarHBondContact CA-O 3.46Å; V570-A581 HydrophobicContact CG2-CB 3.99Å
571E94.3Very high90.4Very high8 Ų834.5 Ų34.54%0.03718%0.184CC..EExtended strand (participates in β ladder)trans-133.1144.8179-172.360.5-91.900111.6Y569 A579 V580 R688 I695 Y699Y569-E571 PolarHBondContact OH-OE2 2.85Å; E571-A579 WeakPolarHBondContact O-CA 3.28Å; E571-V580 PolarHBondContact N-O 3.18Å; E571-V580 PolarHBondContact O-N 3.4Å; E571-R688 IonicContact OE1-NH2 2.82Å; E571-R688 PolarHBondContact OE1-NH2 3.33Å; E571-R688 IonicContact OE2-CZ 3.16Å; E571-R688 VanDerWaalsContact OE2-CZ 3.27Å; E571-R688 IonicContact OE2-NE 3.85Å; E571-R688 PolarHBondContact OE2-NE 3.03Å; E571-R688 IonicContact OE2-NH2 2.81Å; E571-R688 PolarHBondContact OE2-NH2 3.32Å; E571-I695 HydrophobicContact CB-CD1 4.11Å; E571-I695 HydrophobicContact CG-CD1 4.08Å; E571-I695 HydrophobicContact CG-CG2 4.19Å; E571-Y699 PolarHBondContact O-OH 3.07Å; E571-Y699 VanDerWaalsContact O-OH 3.04Å
572G88.6Confident90.8Very high4 Ų432.8 Ų32.84%0.04118%0.176CC..  trans-139.5156.1-177.500000113.1F542 Y699F542-G572 VanDerWaalsContact CD2-CA 3.5Å; G572-Y699 VanDerWaalsContact CA-OH 3.27Å; G572-Y699 WeakPolarHBondContact CA-OH 3.47Å
573H83.6Confident91.2Very high81 Ų8132.7 Ų32.738%0.37518%0.176SC..  trans-135144.5176.3-67.4-51.4000111.6K543 L575 K576 Y699K543-H573 CarbonylContact O-C 3.56Å; H573-L575 PolarHBondContact O-N 2.93Å; H573-K576 HydrophobicContact CB-CB 4.31Å; H573-K576 HydrophobicContact CB-CG 3.86Å; H573-K576 WeakPolarHBondContact O-CB 3.45Å; H573-K576 PolarHBondContact O-N 2.85Å; H573-Y699 AromaticContact CD2-CD2 3.81Å; H573-Y699 AromaticContact CD2-CE2 3.28Å; H573-Y699 WeakPolarHBondContact CD2-CE2 3.14Å; H573-Y699 AromaticContact CD2-CZ 3.89Å; H573-Y699 AromaticContact NE2-CE2 3.84Å
574S74.6Confident91.4Very high82 Ų8229.4 Ų29.457%0.57316%0.157SC*.THydrogen-bonded Turntrans-61.2-23.4178.853.90000115K543 S545 K576K543-S574 WeakPolarHBondContact O-CA 3.31Å; K543-S574 PolarHBondContact O-N 2.83Å; S545-S574 VanDerWaalsContact CA-O 3.25Å; S545-S574 WeakPolarHBondContact CA-O 3.34Å; S545-S574 PolarHBondContact N-O 2.99Å; S574-K576 VanDerWaalsContact C-N 3.33Å
575L77.5Confident91.6Very high159 Ų15929.1 Ų29.183%0.83216%0.156SC*.THydrogen-bonded Turntrans-89.63.7175.9-58.3179.2000113.3H573H573-L575 PolarHBondContact O-N 2.93Å
576K83.5Confident91.6Very high41 Ų4130.9 Ų30.918%0.17817%0.165CC..  trans-119.9142.8-175.3-59.8-67.7-171.9168.40109.8L544 S545 H573 S574 Y578 Y699L544-K576 CarbonylContact C-O 3.56Å; L544-K576 WeakPolarHBondContact CA-O 3.16Å; L544-K576 WeakPolarHBondContact CB-O 3.48Å; S545-K576 PolarHBondContact N-O 3.42Å; S545-K576 PolarHBondContact OG-O 3.3Å; H573-K576 HydrophobicContact CB-CB 4.31Å; H573-K576 HydrophobicContact CB-CG 3.86Å; H573-K576 WeakPolarHBondContact O-CB 3.45Å; H573-K576 PolarHBondContact O-N 2.85Å; S574-K576 VanDerWaalsContact C-N 3.33Å; K576-Y578 VanDerWaalsContact C-N 3.27Å; K576-Y578 PolarHBondContact O-N 3.45Å; K576-Y699 HydrophobicContact CB-CD1 4.15Å; K576-Y699 HydrophobicContact CB-CE1 3.63Å; K576-Y699 HydrophobicContact CD-CD1 3.56Å; K576-Y699 HydrophobicContact CD-CE1 3.97Å; K576-Y699 HydrophobicContact CD-CG 4.16Å; K576-Y699 HydrophobicContact CG-CD1 3.62Å; K576-Y699 HydrophobicContact CG-CE1 3.49Å; K576-Y699 VanDerWaalsContact CG-CE1 3.49Å; K576-Y699 HydrophobicContact CG-CG 4.26Å; K576-Y699 PolarHBondContact NZ-O 3.09Å
577S82.4Confident91.5Very high63 Ų6327.3 Ų27.344%0.44115%0.149SC..SBendtrans-84.1-3.4-178.8550000114.1S545 Q546S545-S577 VanDerWaalsContact OG-CA 3.28Å; S545-S577 WeakPolarHBondContact OG-CA 3.24Å; S545-S577 WeakPolarHBondContact OG-CB 3.25Å; S545-S577 PolarHBondContact OG-N 2.94Å; Q546-S577 PolarHBondContact NE2-O 2.98Å; Q546-S577 PolarHBondContact OE1-O 3.3Å
578Y91Very high91.3Very high35 Ų3533.9 Ų33.914%0.13718%0.177CC..SBendtrans-149.5163.6-174.757-100.4000111.2K576 V580 R660 Y699 E702K576-Y578 VanDerWaalsContact C-N 3.27Å; K576-Y578 PolarHBondContact O-N 3.45Å; Y578-V580 HydrophobicContact CD2-CG1 4.25Å; Y578-V580 HydrophobicContact CE2-CG1 4.02Å; Y578-R660 HydrophobicContact CD1-CB 4.26Å; Y578-R660 HydrophobicContact CD1-CG 4.06Å; Y578-R660 HydrophobicContact CD2-CB 3.28Å; Y578-R660 HydrophobicContact CD2-CG 3.79Å; Y578-R660 HydrophobicContact CE1-CG 4.31Å; Y578-R660 HydrophobicContact CE2-CB 3.92Å; Y578-R660 HydrophobicContact CE2-CG 4.06Å; Y578-R660 HydrophobicContact CG-CB 3.49Å; Y578-R660 VanDerWaalsContact CG-CB 3.49Å; Y578-R660 HydrophobicContact CG-CG 3.8Å; Y578-Y699 HydrophobicContact CD2-CD1 4.31Å; Y578-Y699 AromaticContact CD2-CE1 3.91Å; Y578-Y699 HydrophobicContact CD2-CE1 3.91Å; Y578-Y699 AromaticContact CE2-CD1 3.52Å; Y578-Y699 HydrophobicContact CE2-CD1 3.52Å; Y578-Y699 AromaticContact CE2-CE1 3.58Å; Y578-Y699 HydrophobicContact CE2-CE1 3.58Å; Y578-Y699 WeakPolarHBondContact O-CE1 3.5Å; Y578-Y699 PolarHBondContact O-OH 2.94Å; Y578-E702 HydrophobicContact CE2-CG 4.38Å; Y578-E702 WeakPolarHBondContact OH-CB 3.49Å
579A94.3Very high91Very high0 Ų038.1 Ų38.10%019%0.192CC..EExtended strand (participates in β ladder)trans-95.7162.9172.300000112F542 V570 E571 A659 R660F542-A579 HydrophobicContact CE2-CB 3.93Å; F542-A579 HydrophobicContact CZ-CB 3.73Å; V570-A579 HydrophobicContact CG1-CB 4Å; E571-A579 WeakPolarHBondContact O-CA 3.28Å; A579-A659 WeakPolarHBondContact O-CA 3.24Å; A579-R660 PolarHBondContact O-N 3.42Å
580V97.2Very high90.7Very high0 Ų038.1 Ų38.10%019%0.192CC..EExtended strand (participates in β ladder)trans-125.4162.4171.8-61.70000110V570 E571 Y578 N661 I695 L698 Y699V570-V580 WeakPolarHBondContact CA-O 3.46Å; E571-V580 PolarHBondContact N-O 3.18Å; E571-V580 PolarHBondContact O-N 3.4Å; Y578-V580 HydrophobicContact CD2-CG1 4.25Å; Y578-V580 HydrophobicContact CE2-CG1 4.02Å; V580-N661 VanDerWaalsContact CA-O 3.32Å; V580-N661 WeakPolarHBondContact CA-O 3.39Å; V580-N661 WeakPolarHBondContact CB-O 3.48Å; V580-N661 HydrophobicContact CG1-CB 4.35Å; V580-I695 HydrophobicContact CG2-CG2 4.05Å; V580-L698 HydrophobicContact CB-CB 4.13Å; V580-L698 HydrophobicContact CB-CD1 3.96Å; V580-L698 HydrophobicContact CG1-CB 3.96Å; V580-L698 HydrophobicContact CG2-CB 4.35Å; V580-L698 HydrophobicContact CG2-CD1 4.12Å; V580-Y699 HydrophobicContact CG1-CD1 4.02Å; V580-Y699 HydrophobicContact CG1-CD2 4.48Å; V580-Y699 HydrophobicContact CG1-CE1 3.76Å; V580-Y699 HydrophobicContact CG1-CE2 4.24Å; V580-Y699 HydrophobicContact CG1-CG 4.36Å; V580-Y699 HydrophobicContact CG2-CD2 4.21Å; V580-Y699 HydrophobicContact CG2-CE2 3.59Å
581A98.1Very high90.3Very high1 Ų139.9 Ų39.91%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-135.7146.8177.300000114.4V568 Y569 V570 V583 A659 N661 I662 Y663V568-A581 HydrophobicContact CG2-CB 4.18Å; Y569-A581 CarbonylContact O-C 3.2Å; Y569-A581 WeakPolarHBondContact O-CA 3.49Å; Y569-A581 WeakPolarHBondContact O-CB 3.39Å; V570-A581 HydrophobicContact CG2-CB 3.99Å; A581-V583 HydrophobicContact CB-CG2 4.37Å; A581-A659 HydrophobicContact CB-CB 3.98Å; A581-N661 PolarHBondContact N-O 3.44Å; A581-I662 HydrophobicContact CB-CG2 3.95Å; A581-I662 CarbonylContact O-C 3.49Å; A581-I662 WeakPolarHBondContact O-CA 3.26Å; A581-I662 WeakPolarHBondContact O-CB 3.05Å; A581-Y663 PolarHBondContact O-N 3.33Å
582V98.2Very high89.9Confident1 Ų144.7 Ų44.71%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-98.5122.2164.9177.40000108.2V568 Y569 Y663 T665 F669 F691V568-V582 CarbonylContact C-O 3.6Å; V568-V582 WeakPolarHBondContact CA-O 3.29Å; Y569-V582 HydrophobicContact CD1-CB 4.26Å; Y569-V582 HydrophobicContact CD1-CG2 4.3Å; Y569-V582 PolarHBondContact N-O 3.18Å; Y569-V582 PolarHBondContact O-N 3.07Å; V582-Y663 HydrophobicContact CG1-CD1 4.09Å; V582-T665 HydrophobicContact CG1-CG2 3.9Å; V582-F669 HydrophobicContact CG1-CZ 4.15Å; V582-F691 HydrophobicContact CB-CD2 4.37Å; V582-F691 HydrophobicContact CB-CG 4.49Å; V582-F691 HydrophobicContact CG1-CD1 4.08Å; V582-F691 HydrophobicContact CG1-CD2 4.02Å; V582-F691 HydrophobicContact CG1-CE1 3.88Å; V582-F691 HydrophobicContact CG1-CE2 3.8Å; V582-F691 HydrophobicContact CG1-CG 4.16Å; V582-F691 HydrophobicContact CG1-CZ 3.74Å; V582-F691 HydrophobicContact CG2-CB 3.97Å; V582-F691 HydrophobicContact CG2-CD1 4.22Å; V582-F691 HydrophobicContact CG2-CD2 4.16Å; V582-F691 HydrophobicContact CG2-CG 3.86Å
583V98.2Very high89.7Confident0 Ų048 Ų480%023%0.234CC..EExtended strand (participates in β ladder)trans-119123.5-174.7177.30000109.1I565 V568 A581 P585 V640 M644 I662 Y663 L664 T665I565-V583 HydrophobicContact CD1-CG1 4.43Å; I565-V583 HydrophobicContact CG1-CG1 4.04Å; I565-V583 HydrophobicContact CG2-CG1 4.4Å; V568-V583 HydrophobicContact CG2-CG2 4.11Å; A581-V583 HydrophobicContact CB-CG2 4.37Å; V583-P585 WeakPolarHBondContact O-CD 3.47Å; V583-V640 HydrophobicContact CG1-CG1 4.3Å; V583-M644 HydrophobicContact CG2-CE 3.9Å; V583-M644 HydrophobicContact CG2-SD 4.19Å; V583-I662 HydrophobicContact CG2-CB 4.3Å; V583-I662 HydrophobicContact CG2-CD1 4.33Å; V583-I662 HydrophobicContact CG2-CG2 4.29Å; V583-Y663 PolarHBondContact N-O 3.05Å; V583-L664 HydrophobicContact CB-CD2 3.98Å; V583-L664 HydrophobicContact CG1-CD2 4.14Å; V583-L664 CarbonylContact O-C 3.46Å; V583-L664 VanDerWaalsContact O-CA 3.31Å; V583-L664 WeakPolarHBondContact O-CA 3.31Å; V583-T665 PolarHBondContact O-N 3.03Å
584K96.4Very high89.7Confident11 Ų1144.2 Ų44.25%0.04822%0.216CC..EExtended strand (participates in β ladder)trans-93.2109.9163.7-176.9-90.7-175-98.10107.7Q566 H567 T665 E667Q566-K584 HydrophobicContact CB-CD 3.62Å; Q566-K584 HydrophobicContact CG-CD 3.71Å; Q566-K584 PolarHBondContact N-O 3.1Å; H567-K584 HydrophobicContact CB-CB 4.05Å; H567-K584 PolarHBondContact N-O 3.35Å; H567-K584 PolarHBondContact O-N 3.22Å; K584-T665 HydrophobicContact CB-CG2 3.9Å; K584-E667 VanDerWaalsContact CG-O 3.32Å; K584-E667 WeakPolarHBondContact CG-O 3.15Å
585P95.7Very high89.9Confident0 Ų040.6 Ų40.60%019%0.191CC..EExtended strand (participates in β ladder)trans-74.9153.8-177.612.7-7.8000112.8L564 V583 F587 L590 L664 T665L564-P585 CarbonylContact O-C 3.19Å; L564-P585 WeakPolarHBondContact O-CA 3.34Å; L564-P585 WeakPolarHBondContact O-CB 3.41Å; V583-P585 WeakPolarHBondContact O-CD 3.47Å; P585-F587 VanDerWaalsContact C-N 3.34Å; P585-F587 HydrophobicContact CG-CD1 4.46Å; P585-F587 HydrophobicContact CG-CE1 3.86Å; P585-F587 HydrophobicContact CG-CZ 3.89Å; P585-F587 PolarHBondContact O-N 3.46Å; P585-L590 HydrophobicContact CB-CB 4.45Å; P585-L590 HydrophobicContact CB-CD2 3.62Å; P585-L590 HydrophobicContact CG-CD2 3.74Å; P585-L664 HydrophobicContact CG-CD2 4.4Å; P585-T665 WeakPolarHBondContact CD-O 3.44Å
586N93.9Very high89.9Confident47 Ų4736.6 Ų36.625%0.25117%0.171SC..  trans-71.490161.6-177.8-20.4000108.6D563 L564 Q566 K588 R589 L590D563-N586 WeakPolarHBondContact O-CB 3.44Å; D563-N586 PolarHBondContact O-ND2 3.13Å; L564-N586 PolarHBondContact O-N 2.98Å; Q566-N586 HydrophobicContact CB-CB 4.25Å; N586-K588 PolarHBondContact O-N 2.94Å; N586-K588 WeakPolarHBondContact OD1-CB 3.21Å; N586-K588 PolarHBondContact OD1-N 2.88Å; N586-R589 HydrophobicContact CB-CB 4.21Å; N586-R589 HydrophobicContact CB-CG 4.43Å; N586-R589 WeakPolarHBondContact ND2-CG 3.29Å; N586-R589 PolarHBondContact O-N 3.49Å; N586-R589 PolarHBondContact OD1-N 3.19Å; N586-L590 PolarHBondContact O-N 2.98Å
587F91.7Very high89.5Confident12 Ų1235.9 Ų35.95%0.05317%0.168CC..Hα-helixtrans-58.5-24.9-175.6-72.6-67000114.3P585 R591 N627 L630 C631 P666P585-F587 VanDerWaalsContact C-N 3.34Å; P585-F587 HydrophobicContact CG-CD1 4.46Å; P585-F587 HydrophobicContact CG-CE1 3.86Å; P585-F587 HydrophobicContact CG-CZ 3.89Å; P585-F587 PolarHBondContact O-N 3.46Å; F587-R591 WeakPolarHBondContact O-CB 3.31Å; F587-R591 VanDerWaalsContact O-CG 3.28Å; F587-R591 WeakPolarHBondContact O-CG 3.39Å; F587-R591 PolarHBondContact O-N 3.3Å; F587-R591 VanDerWaalsContact O-N 3.14Å; F587-N627 HydrophobicContact CD1-CB 3.98Å; F587-N627 HydrophobicContact CD2-CB 4.09Å; F587-N627 WeakPolarHBondContact CD2-ND2 3.4Å; F587-N627 HydrophobicContact CE1-CB 3.69Å; F587-N627 HydrophobicContact CE2-CB 3.82Å; F587-N627 HydrophobicContact CG-CB 4.19Å; F587-N627 WeakPolarHBondContact CG-OD1 3.34Å; F587-N627 HydrophobicContact CZ-CB 3.64Å; F587-L630 HydrophobicContact CD1-CD2 4.29Å; F587-C631 VanDerWaalsContact CZ-SG 3.59Å; F587-P666 HydrophobicContact CE2-CB 4.48Å; F587-P666 HydrophobicContact CZ-CB 4.21Å
588K89.6Confident89.1Confident160 Ų16033.9 Ų33.970%0.69615%0.152SC*.Hα-helixtrans-69.9-37.6175.2-176.1175.6-179.11710111.6N586N586-K588 PolarHBondContact O-N 2.94Å; N586-K588 WeakPolarHBondContact OD1-CB 3.21Å; N586-K588 PolarHBondContact OD1-N 2.88Å
589R89.1Confident88.2Confident94 Ų9437 Ų3736%0.35516%0.164SC..Hα-helixtrans-78.6-47.7175-71.6-67.2-172.8178.55.8111.3D563 L564 N586 R591 K592 E593D563-R589 WeakPolarHBondContact OD2-CD 3.38Å; D563-R589 IonicContact OD2-CZ 3.83Å; D563-R589 IonicContact OD2-NE 3.22Å; D563-R589 PolarHBondContact OD2-NE 3.43Å; L564-R589 HydrophobicContact CD2-CB 4.07Å; N586-R589 HydrophobicContact CB-CB 4.21Å; N586-R589 HydrophobicContact CB-CG 4.43Å; N586-R589 WeakPolarHBondContact ND2-CG 3.29Å; N586-R589 PolarHBondContact O-N 3.49Å; N586-R589 PolarHBondContact OD1-N 3.19Å; R589-R591 VanDerWaalsContact C-N 3.29Å; R589-R591 PolarHBondContact O-N 3.05Å; R589-K592 WeakPolarHBondContact O-CB 3.47Å; R589-K592 PolarHBondContact O-N 3.05Å; R589-E593 PolarHBondContact O-N 3.28Å
590L90.7Very high87.1Confident0 Ų045.4 Ų45.40%020%0.2CC..Hα-helixtrans-57.8-40.1-178.1-173.160.3000112.6L564 P585 N586 K592 E593 A594 L630 I636 V640L564-L590 HydrophobicContact CD2-CB 4.48Å; L564-L590 HydrophobicContact CD2-CD1 4.31Å; P585-L590 HydrophobicContact CB-CB 4.45Å; P585-L590 HydrophobicContact CB-CD2 3.62Å; P585-L590 HydrophobicContact CG-CD2 3.74Å; N586-L590 PolarHBondContact O-N 2.98Å; L590-K592 PolarHBondContact O-N 2.73Å; L590-E593 PolarHBondContact O-N 2.87Å; L590-A594 WeakPolarHBondContact O-CB 3.33Å; L590-A594 PolarHBondContact O-N 2.87Å; L590-L630 HydrophobicContact CB-CD2 4.47Å; L590-L630 HydrophobicContact CD2-CD2 3.71Å; L590-L630 HydrophobicContact CD2-CG 4.48Å; L590-L630 HydrophobicContact CG-CD2 3.83Å; L590-I636 HydrophobicContact CD1-CG2 3.94Å; L590-I636 HydrophobicContact CD2-CG2 3.94Å; L590-I636 HydrophobicContact CG-CG2 4.25Å; L590-V640 HydrophobicContact CD1-CG2 3.68Å
591R88.8Confident85.7Confident39 Ų3947.3 Ų47.315%0.14721%0.211CC..Hα-helixtrans-62.3-29176.4-81.1-176.217293.25114.2F587 R589 L622 I625 N627 L630F587-R591 WeakPolarHBondContact O-CB 3.31Å; F587-R591 VanDerWaalsContact O-CG 3.28Å; F587-R591 WeakPolarHBondContact O-CG 3.39Å; F587-R591 PolarHBondContact O-N 3.3Å; F587-R591 VanDerWaalsContact O-N 3.14Å; R589-R591 VanDerWaalsContact C-N 3.29Å; R589-R591 PolarHBondContact O-N 3.05Å; R591-L622 WeakPolarHBondContact CD-O 3.31Å; R591-L622 HydrophobicContact CG-CB 4.4Å; R591-L622 PolarHBondContact NE-O 3.47Å; R591-I625 PolarHBondContact NH2-O 3.37Å; R591-N627 PolarHBondContact NH1-OD1 2.97Å; R591-N627 PolarHBondContact NH2-OD1 3.31Å; R591-L630 HydrophobicContact CG-CD2 4.26Å
592K85.7Confident84Confident108 Ų10851 Ų5147%0.4723%0.234SC..Hα-helixtrans-73.1-47.2177.2-67.4-174.4172.9-161.20110.6R589 L590R589-K592 WeakPolarHBondContact O-CB 3.47Å; R589-K592 PolarHBondContact O-N 3.05Å; L590-K592 PolarHBondContact O-N 2.73Å
593E84.4Confident82.1Confident75 Ų7559.3 Ų59.335%0.3527%0.271SS..Hα-helixtrans-69.6-34.3177.6-60.6-65.2146.700112.5L564 R589 L590 V595 D596 I597 F639L564-E593 HydrophobicContact CD2-CG 3.97Å; R589-E593 PolarHBondContact O-N 3.28Å; L590-E593 PolarHBondContact O-N 2.87Å; E593-V595 VanDerWaalsContact C-N 3.26Å; E593-V595 PolarHBondContact O-N 2.88Å; E593-D596 PolarHBondContact O-N 2.76Å; E593-D596 VanDerWaalsContact O-N 3.09Å; E593-I597 WeakPolarHBondContact O-CG1 3.42Å; E593-I597 PolarHBondContact O-N 3.46Å; E593-I597 VanDerWaalsContact O-N 3.14Å; E593-F639 HydrophobicContact CB-CE1 3.81Å; E593-F639 HydrophobicContact CB-CZ 3.97Å; E593-F639 HydrophobicContact CG-CE1 4.24Å; E593-F639 HydrophobicContact CG-CZ 4.25Å
594A82.3Confident79.9Confident0 Ų065.3 Ų65.30%031%0.307CS..Hα-helixtrans-60.9-32.4-178.500000113.2L590 D596 I597 I598 L622 L630 I636L590-A594 WeakPolarHBondContact O-CB 3.33Å; L590-A594 PolarHBondContact O-N 2.87Å; A594-D596 VanDerWaalsContact C-N 3.32Å; A594-D596 PolarHBondContact O-N 3.11Å; A594-I597 PolarHBondContact O-N 3.36Å; A594-I598 WeakPolarHBondContact O-CB 3.47Å; A594-I598 WeakPolarHBondContact O-CD1 3.28Å; A594-I598 VanDerWaalsContact O-CG1 3.24Å; A594-I598 WeakPolarHBondContact O-CG1 3.33Å; A594-I598 PolarHBondContact O-N 2.94Å; A594-L622 HydrophobicContact CB-CD1 3.93Å; A594-L630 HydrophobicContact CB-CD1 4.37Å; A594-I636 HydrophobicContact CB-CD1 3.78Å
595V78.6Confident77.8Confident7 Ų768.6 Ų68.64%0.04233%0.325CS..Hα-helixtrans-59.7-45.6174.7172.70000110.4E593 R599 M616 L622E593-V595 VanDerWaalsContact C-N 3.26Å; E593-V595 PolarHBondContact O-N 2.88Å; V595-R599 WeakPolarHBondContact O-CB 3.28Å; V595-R599 VanDerWaalsContact O-CG 3.25Å; V595-R599 WeakPolarHBondContact O-CG 3.47Å; V595-R599 PolarHBondContact O-N 3.31Å; V595-R599 VanDerWaalsContact O-N 3.08Å; V595-M616 HydrophobicContact CG2-CE 4.15Å; V595-L622 HydrophobicContact CG2-CD1 3.77Å; V595-L622 HydrophobicContact CG2-CG 3.76Å
596D77.4Confident75.5Confident75 Ų7573.9 Ų73.940%0.40136%0.361SS..Hα-helixtrans-71-32.5-178.6-67.5-25.9000112.6E593 A594 K600E593-D596 PolarHBondContact O-N 2.76Å; E593-D596 VanDerWaalsContact O-N 3.09Å; A594-D596 VanDerWaalsContact C-N 3.32Å; A594-D596 PolarHBondContact O-N 3.11Å; D596-K600 VanDerWaalsContact O-CG 3.32Å; D596-K600 WeakPolarHBondContact O-CG 3.43Å; D596-K600 PolarHBondContact O-N 2.96Å
597I76.5Confident73.5Confident25 Ų2574.5 Ų74.513%0.12836%0.364CS..Hα-helixtrans-69.1-50.8175.8-61.8161.8000110.2E593 A594 R599 K600 L601 E635 I636 F639E593-I597 WeakPolarHBondContact O-CG1 3.42Å; E593-I597 PolarHBondContact O-N 3.46Å; E593-I597 VanDerWaalsContact O-N 3.14Å; A594-I597 PolarHBondContact O-N 3.36Å; I597-R599 VanDerWaalsContact C-N 3.28Å; I597-R599 PolarHBondContact O-N 3.37Å; I597-K600 PolarHBondContact O-N 2.95Å; I597-L601 PolarHBondContact O-N 3.27Å; I597-E635 HydrophobicContact CG2-CB 4.48Å; I597-I636 HydrophobicContact CB-CD1 4.49Å; I597-I636 HydrophobicContact CD1-CD1 4.04Å; I597-I636 HydrophobicContact CG2-CD1 4.36Å; I597-F639 HydrophobicContact CD1-CB 3.7Å; I597-F639 HydrophobicContact CD1-CD1 3.31Å; I597-F639 HydrophobicContact CD1-CD2 3.6Å; I597-F639 HydrophobicContact CD1-CE1 3.68Å; I597-F639 HydrophobicContact CD1-CE2 3.95Å; I597-F639 HydrophobicContact CD1-CG 3.24Å; I597-F639 HydrophobicContact CD1-CZ 3.98Å; I597-F639 HydrophobicContact CG1-CD1 4.48Å; I597-F639 HydrophobicContact CG1-CD2 3.97Å; I597-F639 HydrophobicContact CG1-CE2 4.19Å; I597-F639 HydrophobicContact CG1-CG 4.1Å
598I72.7Confident71.8Confident21 Ų2178.4 Ų78.411%0.10839%0.391CS..Hα-helixtrans-62.2-38.2-177.8-68.4162.5000110.6A594 K600 L601 I609 C613 L622A594-I598 WeakPolarHBondContact O-CB 3.47Å; A594-I598 WeakPolarHBondContact O-CD1 3.28Å; A594-I598 VanDerWaalsContact O-CG1 3.24Å; A594-I598 WeakPolarHBondContact O-CG1 3.33Å; A594-I598 PolarHBondContact O-N 2.94Å; I598-K600 PolarHBondContact O-N 2.98Å; I598-L601 PolarHBondContact O-N 2.85Å; I598-I609 HydrophobicContact CD1-CG2 3.88Å; I598-I609 HydrophobicContact CG2-CG2 4.17Å; I598-C613 HydrophobicContact CG2-CB 4.25Å; I598-L622 HydrophobicContact CD1-CD1 3.81Å
599R72.3Confident70.1Confident102 Ų10271.8 Ų71.839%0.38536%0.363SS..Hα-helixtrans-63-24.3175.2-77.6172.6173.2-177.5-6.3114V595 I597 M616 D618V595-R599 WeakPolarHBondContact O-CB 3.28Å; V595-R599 VanDerWaalsContact O-CG 3.25Å; V595-R599 WeakPolarHBondContact O-CG 3.47Å; V595-R599 PolarHBondContact O-N 3.31Å; V595-R599 VanDerWaalsContact O-N 3.08Å; I597-R599 VanDerWaalsContact C-N 3.28Å; I597-R599 PolarHBondContact O-N 3.37Å; R599-M616 PolarHBondContact NH2-O 2.98Å; R599-D618 IonicContact CZ-OD1 3.14Å; R599-D618 IonicContact NH1-OD1 3.73Å; R599-D618 PolarHBondContact NH1-OD1 2.71Å; R599-D618 IonicContact NH2-OD1 2.65Å; R599-D618 PolarHBondContact NH2-OD1 2.79Å
600K72.4Confident68.4Low175 Ų17568.7 Ų68.776%0.76135%0.352SS*.THydrogen-bonded Turntrans-89.2-6.3179.7-72.3173.4-176176.30113.5D596 I597 I598D596-K600 VanDerWaalsContact O-CG 3.32Å; D596-K600 WeakPolarHBondContact O-CG 3.43Å; D596-K600 PolarHBondContact O-N 2.96Å; I597-K600 PolarHBondContact O-N 2.95Å; I598-K600 PolarHBondContact O-N 2.98Å
601L66.5Low66.7Low41 Ų4176.2 Ų76.222%0.21539%0.385CS..SBendtrans-69145179.6-68171.9000111.3I597 I598 K603 E635I597-L601 PolarHBondContact O-N 3.27Å; I598-L601 PolarHBondContact O-N 2.85Å; L601-K603 PolarHBondContact O-N 2.94Å; L601-E635 HydrophobicContact CD1-CG 4.41Å; L601-E635 HydrophobicContact CD2-CB 4.45Å; L601-E635 HydrophobicContact CD2-CG 3.87Å
602P64.1Low65.1Low78 Ų7879.3 Ų79.351%0.50640%0.4SS..  trans-58.9127.3173.2-19.931000110.7T604 I605P602-T604 WeakPolarHBondContact CB-OG1 3.17Å; P602-T604 PolarHBondContact O-N 3.47Å; P602-I605 PolarHBondContact O-N 3.39Å
603K57.8Low63.5Low176 Ų17674.3 Ų74.377%0.76538%0.379SS*.THydrogen-bonded Turntrans-56.9-4.8178.4-65.1-172176.4-170.30115.2L601 I605L601-K603 PolarHBondContact O-N 2.94Å; K603-I605 VanDerWaalsContact C-N 3.26Å; K603-I605 PolarHBondContact O-N 3.24Å
604T52.3Low62.2Low125 Ų12577 Ų7777%0.76739%0.391SS*.THydrogen-bonded Turntrans-73.5-13.4177.134.20000113.4P602P602-T604 WeakPolarHBondContact CB-OG1 3.17Å; P602-T604 PolarHBondContact O-N 3.47Å
605I51.1Low61Low81 Ų8184 Ų8442%0.41543%0.428SS..SBendtrans-102.877.6177.5-52.3178.7000108.8P602 K603 L607 E610P602-I605 PolarHBondContact O-N 3.39Å; K603-I605 VanDerWaalsContact C-N 3.26Å; K603-I605 PolarHBondContact O-N 3.24Å; I605-L607 VanDerWaalsContact C-N 3.3Å; I605-L607 HydrophobicContact CG2-CD1 3.69Å; I605-L607 HydrophobicContact CG2-CG 3.88Å; I605-L607 PolarHBondContact O-N 3.27Å; I605-E610 VanDerWaalsContact O-OE1 3.13Å; I605-E610 VanDerWaalsContact O-OE2 3.06Å
606S48.4Very low59.9Low110 Ų11085.3 Ų85.377%0.76943%0.434SS*.  trans-6183.4179.6-59.50000112.8
607L52.2Low58.9Low60 Ų6089.2 Ų89.231%0.31445%0.448SS..  trans-98.2148.3175.7-75.6163.8000110.6I605 I609 E610I605-L607 VanDerWaalsContact C-N 3.3Å; I605-L607 HydrophobicContact CG2-CD1 3.69Å; I605-L607 HydrophobicContact CG2-CG 3.88Å; I605-L607 PolarHBondContact O-N 3.27Å; L607-I609 PolarHBondContact O-N 2.9Å; L607-E610 PolarHBondContact O-N 2.9Å; L607-E610 VanDerWaalsContact O-N 3.1Å
608P55.8Low57.8Low95 Ų9594.6 Ų94.662%0.61748%0.477SS*.THydrogen-bonded Turntrans-54.2-21.2178-25.432.9000114.7K612P608-K612 WeakPolarHBondContact O-CG 3.4Å
609I53.6Low56.9Low20 Ų2097.5 Ų97.510%0.10351%0.512CS..THydrogen-bonded Turntrans-82.5-33.9-177-63.9162.4000111.9I598 L607 K611 K612 C613 I625I598-I609 HydrophobicContact CD1-CG2 3.88Å; I598-I609 HydrophobicContact CG2-CG2 4.17Å; L607-I609 PolarHBondContact O-N 2.9Å; I609-K611 PolarHBondContact O-N 3.06Å; I609-K612 WeakPolarHBondContact O-CA 3.46Å; I609-K612 WeakPolarHBondContact O-CB 3.45Å; I609-K612 PolarHBondContact O-N 3.22Å; I609-C613 PolarHBondContact O-N 2.86Å; I609-C613 PolarHBondContact O-SG 2.68Å; I609-I625 HydrophobicContact CB-CD1 4.34Å; I609-I625 HydrophobicContact CD1-CD1 3.72Å; I609-I625 HydrophobicContact CG1-CD1 3.74Å; I609-I625 HydrophobicContact CG1-CG1 4.44Å; I609-I625 HydrophobicContact CG2-CD1 3.62Å
610E53.1Low56Low29 Ų2996.7 Ų96.714%0.13651%0.513CS..Hα-helixtrans-60.6-47.6179.2-67-17516400110.5I605 L607 K612 C613 E614I605-E610 VanDerWaalsContact O-OE1 3.13Å; I605-E610 VanDerWaalsContact O-OE2 3.06Å; L607-E610 PolarHBondContact O-N 2.9Å; L607-E610 VanDerWaalsContact O-N 3.1Å; E610-K612 PolarHBondContact O-N 2.97Å; E610-K612 VanDerWaalsContact O-N 3.14Å; E610-C613 PolarHBondContact O-N 3.08Å; E610-C613 VanDerWaalsContact O-N 3.1Å; E610-E614 WeakPolarHBondContact O-CG 3.49Å; E610-E614 PolarHBondContact O-N 2.97Å
611K54.5Low55.3Low158 Ų15890.5 Ų90.569%0.68749%0.491SS*.Hα-helixtrans-57.4-28.2173.7-72.5-173.6177-179.10113.6I609I609-K611 PolarHBondContact O-N 3.06Å
612K55.1Low55Low104 Ų10488.9 Ų88.945%0.45248%0.483SS..Hα-helixtrans-83.8-33.5178.3-70.6179.3170.7-144.50112.3P608 I609 E610 E624P608-K612 WeakPolarHBondContact O-CG 3.4Å; I609-K612 WeakPolarHBondContact O-CA 3.46Å; I609-K612 WeakPolarHBondContact O-CB 3.45Å; I609-K612 PolarHBondContact O-N 3.22Å; E610-K612 PolarHBondContact O-N 2.97Å; E610-K612 VanDerWaalsContact O-N 3.14Å; K612-E624 WeakPolarHBondContact CD-OE2 3.4Å; K612-E624 WeakPolarHBondContact CE-OE2 3.37Å; K612-E624 IonicContact NZ-OE2 3.81Å; K612-E624 PolarHBondContact NZ-OE2 3.09Å
613C53.1Low55Low4 Ų494 Ų943%0.02750%0.497CS..Hα-helixtrans-74.8-27.8175.5-70.10000113.5I598 I609 E610 N615 M616I598-C613 HydrophobicContact CG2-CB 4.25Å; I609-C613 PolarHBondContact O-N 2.86Å; I609-C613 PolarHBondContact O-SG 2.68Å; E610-C613 PolarHBondContact O-N 3.08Å; E610-C613 VanDerWaalsContact O-N 3.1Å; C613-N615 PolarHBondContact O-N 3Å; C613-M616 HydrophobicContact CB-CE 4.08Å; C613-M616 PolarHBondContact O-N 3.16Å
614E57.2Low55.4Low132 Ų13292.3 Ų92.362%0.61749%0.492SS*.THydrogen-bonded Turntrans-54.5-33.3-179.8-84.7178.8159.200113.4E610E610-E614 WeakPolarHBondContact O-CG 3.49Å; E610-E614 PolarHBondContact O-N 2.97Å
615N56.3Low56.5Low145 Ų14587 Ų8778%0.77546%0.458SS*.THydrogen-bonded Turntrans-97.7-0.7-175.9-66.6-31.8000114.6C613C613-N615 PolarHBondContact O-N 3Å
616M54.7Low58.1Low35 Ų3586.5 Ų86.517%0.17246%0.46CS..PPolyproline II helixtrans-83.7139.6-178.2-77.8-166.7-7200112.2V595 R599 C613 E620 L622V595-M616 HydrophobicContact CG2-CE 4.15Å; R599-M616 PolarHBondContact NH2-O 2.98Å; C613-M616 HydrophobicContact CB-CE 4.08Å; C613-M616 PolarHBondContact O-N 3.16Å; M616-E620 VanDerWaalsContact CA-OE2 3.26Å; M616-E620 WeakPolarHBondContact CA-OE2 3.41Å; M616-E620 HydrophobicContact CB-CB 4.37Å; M616-E620 WeakPolarHBondContact CB-OE2 3.44Å; M616-E620 HydrophobicContact SD-CB 4.38Å; M616-L622 HydrophobicContact CE-CD2 3.44Å; M616-L622 VanDerWaalsContact CE-CD2 3.44Å; M616-L622 HydrophobicContact CE-CG 3.84Å; M616-L622 HydrophobicContact SD-CD2 4.48Å
617K57.5Low60Low157 Ų15784 Ų8468%0.68344%0.438SS*.PPolyproline II helixtrans-79.6157174.8-66.7179.9-179.3176.50111.8G619 E620K617-G619 PolarHBondContact O-N 3.17Å; K617-E620 HydrophobicContact CB-CG 4.26Å; K617-E620 PolarHBondContact N-OE2 2.9Å; K617-E620 WeakPolarHBondContact O-CB 3.47Å; K617-E620 PolarHBondContact O-N 2.74Å; K617-E620 VanDerWaalsContact O-N 3.11Å
618D54Low61.8Low138 Ų13883.6 Ų83.674%0.73844%0.443SS*.THydrogen-bonded Turntrans-56.9126.4173.7-69.1-19.8000111.2R599R599-D618 IonicContact CZ-OD1 3.14Å; R599-D618 IonicContact NH1-OD1 3.73Å; R599-D618 PolarHBondContact NH1-OD1 2.71Å; R599-D618 IonicContact NH2-OD1 2.65Å; R599-D618 PolarHBondContact NH2-OD1 2.79Å
619G52.7Low63.3Low82 Ų8283.2 Ų83.285%0.84543%0.433SS*.THydrogen-bonded Turntrans93.3-4.8-177.200000115.8K617K617-G619 PolarHBondContact O-N 3.17Å
620E54.3Low64.9Low86 Ų8682.5 Ų82.540%0.40243%0.429SS..  trans-74.1150171-71-179.6168.400111.8M616 K617M616-E620 VanDerWaalsContact CA-OE2 3.26Å; M616-E620 WeakPolarHBondContact CA-OE2 3.41Å; M616-E620 HydrophobicContact CB-CB 4.37Å; M616-E620 WeakPolarHBondContact CB-OE2 3.44Å; M616-E620 HydrophobicContact SD-CB 4.38Å; K617-E620 HydrophobicContact CB-CG 4.26Å; K617-E620 PolarHBondContact N-OE2 2.9Å; K617-E620 WeakPolarHBondContact O-CB 3.47Å; K617-E620 PolarHBondContact O-N 2.74Å; K617-E620 VanDerWaalsContact O-N 3.11Å
621S56.6Low66.8Low44 Ų4481.7 Ų81.731%0.30843%0.426SS..  trans-105.5139.4-179.5168.40000109.8K623S621-K623 VanDerWaalsContact C-N 3.26Å; S621-K623 PolarHBondContact O-N 3.17Å
622L61.1Low68.5Low7 Ų779 Ų794%0.03742%0.423CS..  trans-61.377.7169.2-79.4158.6000112R591 A594 V595 I598 M616 I625R591-L622 WeakPolarHBondContact CD-O 3.31Å; R591-L622 HydrophobicContact CG-CB 4.4Å; R591-L622 PolarHBondContact NE-O 3.47Å; A594-L622 HydrophobicContact CB-CD1 3.93Å; V595-L622 HydrophobicContact CG2-CD1 3.77Å; V595-L622 HydrophobicContact CG2-CG 3.76Å; I598-L622 HydrophobicContact CD1-CD1 3.81Å; M616-L622 HydrophobicContact CE-CD2 3.44Å; M616-L622 VanDerWaalsContact CE-CD2 3.44Å; M616-L622 HydrophobicContact CE-CG 3.84Å; M616-L622 HydrophobicContact SD-CD2 4.48Å; L622-I625 HydrophobicContact CD2-CD1 3.79Å; L622-I625 HydrophobicContact CD2-CG1 4.32Å
623K62.5Low70Confident185 Ų18577.8 Ų77.880%0.80442%0.416SS*.  trans-76.6-23.8179.1-72.5-175.9-179.81780112.8S621S621-K623 VanDerWaalsContact C-N 3.26Å; S621-K623 PolarHBondContact O-N 3.17Å
624E67Low71.7Confident141 Ų14183.2 Ų83.266%0.65944%0.439SS*.SBendtrans-81.8-16.4-173.9-64.5-170.5-177.200114.9K612K612-E624 WeakPolarHBondContact CD-OE2 3.4Å; K612-E624 WeakPolarHBondContact CE-OE2 3.37Å; K612-E624 IonicContact NZ-OE2 3.81Å; K612-E624 PolarHBondContact NZ-OE2 3.09Å
625I75Confident73.2Confident13 Ų1379.7 Ų79.77%0.06742%0.423CS..SBendtrans-94.7131.7178.2-56.8178000109.4R591 I609 L622 E629 L630R591-I625 PolarHBondContact NH2-O 3.37Å; I609-I625 HydrophobicContact CB-CD1 4.34Å; I609-I625 HydrophobicContact CD1-CD1 3.72Å; I609-I625 HydrophobicContact CG1-CD1 3.74Å; I609-I625 HydrophobicContact CG1-CG1 4.44Å; I609-I625 HydrophobicContact CG2-CD1 3.62Å; L622-I625 HydrophobicContact CD2-CD1 3.79Å; L622-I625 HydrophobicContact CD2-CG1 4.32Å; I625-E629 HydrophobicContact CG2-CB 3.63Å; I625-L630 HydrophobicContact CG2-CB 4.46Å; I625-L630 HydrophobicContact CG2-CD1 4.16Å
626T85.1Confident74.9Confident72 Ų7273 Ų7344%0.44239%0.387SS..  trans-68.3155.7177.266.90000111.3A628 E629 L630T626-A628 PolarHBondContact O-N 2.94Å; T626-E629 WeakPolarHBondContact CB-OE2 3.16Å; T626-E629 PolarHBondContact N-OE2 2.89Å; T626-E629 PolarHBondContact O-N 3.34Å; T626-E629 WeakPolarHBondContact OG1-CB 3.49Å; T626-E629 VanDerWaalsContact OG1-CD 3.25Å; T626-E629 WeakPolarHBondContact OG1-CG 3.37Å; T626-E629 PolarHBondContact OG1-N 3.48Å; T626-E629 PolarHBondContact OG1-OE2 2.86Å; T626-L630 PolarHBondContact O-N 3.35Å
627N89.4Confident76.7Confident57 Ų5773.7 Ų73.731%0.30539%0.388SS..Hα-helixtrans-58-38.7175.7-70.8-11.5000111.6F587 R591 L630 C631 P666F587-N627 HydrophobicContact CD1-CB 3.98Å; F587-N627 HydrophobicContact CD2-CB 4.09Å; F587-N627 WeakPolarHBondContact CD2-ND2 3.4Å; F587-N627 HydrophobicContact CE1-CB 3.69Å; F587-N627 HydrophobicContact CE2-CB 3.82Å; F587-N627 HydrophobicContact CG-CB 4.19Å; F587-N627 WeakPolarHBondContact CG-OD1 3.34Å; F587-N627 HydrophobicContact CZ-CB 3.64Å; R591-N627 PolarHBondContact NH1-OD1 2.97Å; R591-N627 PolarHBondContact NH2-OD1 3.31Å; N627-L630 PolarHBondContact O-N 2.97Å; N627-C631 PolarHBondContact O-N 3.2Å; N627-C631 PolarHBondContact O-SG 3.01Å; N627-C631 VanDerWaalsContact O-SG 3.32Å; N627-P666 HydrophobicContact CB-CB 4.03Å
628A89.1Confident78.4Confident51 Ų5170.9 Ų70.942%0.42138%0.377SS..Hα-helixtrans-64.6-47-179.900000111.9T626 L630 C631 T632 P666T626-A628 PolarHBondContact O-N 2.94Å; A628-L630 VanDerWaalsContact C-N 3.32Å; A628-L630 PolarHBondContact O-N 3.36Å; A628-C631 WeakPolarHBondContact O-CB 3.48Å; A628-C631 PolarHBondContact O-N 3.44Å; A628-T632 WeakPolarHBondContact O-CG2 3.25Å; A628-T632 PolarHBondContact O-N 3.29Å; A628-P666 HydrophobicContact CB-CG 4.26Å
629E86.5Confident80.3Confident88 Ų8865.9 Ų65.941%0.41135%0.349SS..Hα-helixtrans-60.6-41.2176.9-73.9165141.800112.1I625 T626 C631 T632I625-E629 HydrophobicContact CG2-CB 3.63Å; T626-E629 WeakPolarHBondContact CB-OE2 3.16Å; T626-E629 PolarHBondContact N-OE2 2.89Å; T626-E629 PolarHBondContact O-N 3.34Å; T626-E629 WeakPolarHBondContact OG1-CB 3.49Å; T626-E629 VanDerWaalsContact OG1-CD 3.25Å; T626-E629 WeakPolarHBondContact OG1-CG 3.37Å; T626-E629 PolarHBondContact OG1-N 3.48Å; T626-E629 PolarHBondContact OG1-OE2 2.86Å; E629-C631 PolarHBondContact O-N 2.83Å; E629-T632 PolarHBondContact O-N 3.47Å; E629-T632 VanDerWaalsContact O-N 3.13Å; E629-T632 PolarHBondContact O-OG1 3.41Å
630L88.6Confident82.3Confident4 Ų462 Ų622%0.02131%0.308CS..Hα-helixtrans-61.1-36.7178.7-151.677.6000111.7F587 L590 R591 A594 I625 T626 N627 A628 T632F587-L630 HydrophobicContact CD1-CD2 4.29Å; L590-L630 HydrophobicContact CB-CD2 4.47Å; L590-L630 HydrophobicContact CD2-CD2 3.71Å; L590-L630 HydrophobicContact CD2-CG 4.48Å; L590-L630 HydrophobicContact CG-CD2 3.83Å; R591-L630 HydrophobicContact CG-CD2 4.26Å; A594-L630 HydrophobicContact CB-CD1 4.37Å; I625-L630 HydrophobicContact CG2-CB 4.46Å; I625-L630 HydrophobicContact CG2-CD1 4.16Å; T626-L630 PolarHBondContact O-N 3.35Å; N627-L630 PolarHBondContact O-N 2.97Å; A628-L630 VanDerWaalsContact C-N 3.32Å; A628-L630 PolarHBondContact O-N 3.36Å; L630-T632 VanDerWaalsContact C-N 3.31Å; L630-T632 PolarHBondContact O-N 3.29Å
631C92.2Very high84.4Confident12 Ų1259.2 Ų59.28%0.08130%0.296CS..Hα-helixtrans-69.2-22.4177.5-74.30000114.1F587 N627 A628 E629 R633 L664F587-C631 VanDerWaalsContact CZ-SG 3.59Å; N627-C631 PolarHBondContact O-N 3.2Å; N627-C631 PolarHBondContact O-SG 3.01Å; N627-C631 VanDerWaalsContact O-SG 3.32Å; A628-C631 WeakPolarHBondContact O-CB 3.48Å; A628-C631 PolarHBondContact O-N 3.44Å; E629-C631 PolarHBondContact O-N 2.83Å; C631-R633 VanDerWaalsContact C-N 3.35Å; C631-L664 HydrophobicContact CB-CB 3.81Å; C631-L664 WeakPolarHBondContact CB-O 3.49Å
632T89.7Confident86.2Confident102 Ų10263.6 Ų63.663%0.62631%0.312SS*.THydrogen-bonded Turntrans-82.7-8.3-179.764.30000114.2A628 E629 L630A628-T632 WeakPolarHBondContact O-CG2 3.25Å; A628-T632 PolarHBondContact O-N 3.29Å; E629-T632 PolarHBondContact O-N 3.47Å; E629-T632 VanDerWaalsContact O-N 3.13Å; E629-T632 PolarHBondContact O-OG1 3.41Å; L630-T632 VanDerWaalsContact C-N 3.31Å; L630-T632 PolarHBondContact O-N 3.29Å
633R87.2Confident87.8Confident78 Ų7867.9 Ų67.929%0.29433%0.33SS..  trans-84.1124.3-174.6-63.2-62.7179.4-135.8-3.4111.2C631 E635 I636 R637C631-R633 VanDerWaalsContact C-N 3.35Å; R633-E635 VanDerWaalsContact C-N 3.32Å; R633-E635 PolarHBondContact O-N 2.7Å; R633-I636 HydrophobicContact CB-CB 3.99Å; R633-I636 HydrophobicContact CB-CG1 3.69Å; R633-I636 HydrophobicContact CG-CG1 4.42Å; R633-I636 PolarHBondContact O-N 3.29Å; R633-R637 WeakPolarHBondContact O-CB 3.49Å; R633-R637 PolarHBondContact O-N 3.07Å
634K89.6Confident89.4Confident119 Ų11959 Ų5952%0.51729%0.292SS..Hα-helixtrans-62.1-40.2-178.4180175.6170.2177.40111.6I636 R637 E638K634-I636 PolarHBondContact O-N 3.26Å; K634-R637 WeakPolarHBondContact O-CB 3.32Å; K634-R637 PolarHBondContact O-N 3.15Å; K634-E638 WeakPolarHBondContact CE-OE1 3.43Å; K634-E638 HydrophobicContact CG-CG 4.44Å; K634-E638 IonicContact NZ-OE1 3.62Å; K634-E638 WeakPolarHBondContact O-CG 3.45Å; K634-E638 PolarHBondContact O-N 3.02Å
635E88.3Confident90.8Very high58 Ų5853 Ų5327%0.27126%0.264SS..Hα-helixtrans-68.3-38.7-177.6-49.984.3173.700111.2I597 L601 R633 F639I597-E635 HydrophobicContact CG2-CB 4.48Å; L601-E635 HydrophobicContact CD1-CG 4.41Å; L601-E635 HydrophobicContact CD2-CB 4.45Å; L601-E635 HydrophobicContact CD2-CG 3.87Å; R633-E635 VanDerWaalsContact C-N 3.32Å; R633-E635 PolarHBondContact O-N 2.7Å; E635-F639 WeakPolarHBondContact O-CB 3.48Å; E635-F639 PolarHBondContact O-N 3.36Å
636I91.7Very high91.8Very high3 Ų354.6 Ų54.62%0.01528%0.276CS..Hα-helixtrans-67.2-41.8174-59.9-59.5000110.3L590 A594 I597 R633 K634 F639 V640 L664L590-I636 HydrophobicContact CD1-CG2 3.94Å; L590-I636 HydrophobicContact CD2-CG2 3.94Å; L590-I636 HydrophobicContact CG-CG2 4.25Å; A594-I636 HydrophobicContact CB-CD1 3.78Å; I597-I636 HydrophobicContact CB-CD1 4.49Å; I597-I636 HydrophobicContact CD1-CD1 4.04Å; I597-I636 HydrophobicContact CG2-CD1 4.36Å; R633-I636 HydrophobicContact CB-CB 3.99Å; R633-I636 HydrophobicContact CB-CG1 3.69Å; R633-I636 HydrophobicContact CG-CG1 4.42Å; R633-I636 PolarHBondContact O-N 3.29Å; K634-I636 PolarHBondContact O-N 3.26Å; I636-F639 PolarHBondContact O-N 2.91Å; I636-V640 VanDerWaalsContact O-CG2 3.28Å; I636-V640 WeakPolarHBondContact O-CG2 3.26Å; I636-V640 PolarHBondContact O-N 3.48Å; I636-L664 HydrophobicContact CG2-CD1 3.92Å
637R93.6Very high92.1Very high51 Ų5153 Ų5319%0.19227%0.265CS..Hα-helixtrans-60.5-48.7176.1-171.2176.681.61595.9111.8R633 K634 V640 L641 I662 L664 E701R633-R637 WeakPolarHBondContact O-CB 3.49Å; R633-R637 PolarHBondContact O-N 3.07Å; K634-R637 WeakPolarHBondContact O-CB 3.32Å; K634-R637 PolarHBondContact O-N 3.15Å; R637-V640 PolarHBondContact O-N 3.3Å; R637-L641 WeakPolarHBondContact O-CB 3.4Å; R637-L641 PolarHBondContact O-N 3.02Å; R637-I662 WeakPolarHBondContact CD-O 3.3Å; R637-I662 HydrophobicContact CG-CG1 3.86Å; R637-I662 WeakPolarHBondContact CG-O 3.34Å; R637-L664 HydrophobicContact CB-CD1 4.3Å; R637-L664 HydrophobicContact CB-CG 4.48Å; R637-L664 HydrophobicContact CG-CG 4.42Å; R637-E701 IonicContact CZ-OE2 3.56Å; R637-E701 VanDerWaalsContact CZ-OE2 3.22Å; R637-E701 IonicContact NH1-OE1 2.8Å; R637-E701 PolarHBondContact NH1-OE1 3.01Å; R637-E701 IonicContact NH1-OE2 2.74Å; R637-E701 PolarHBondContact NH1-OE2 3.42Å; R637-E701 IonicContact NH2-OE2 3.43Å; R637-E701 PolarHBondContact NH2-OE2 3.49Å
638E92.6Very high92.2Very high98 Ų9850.3 Ų50.346%0.45825%0.25SS..Hα-helixtrans-63-43.2177.6-74.1172.6172.300112K634 L641 E642K634-E638 WeakPolarHBondContact CE-OE1 3.43Å; K634-E638 HydrophobicContact CG-CG 4.44Å; K634-E638 IonicContact NZ-OE1 3.62Å; K634-E638 WeakPolarHBondContact O-CG 3.45Å; K634-E638 PolarHBondContact O-N 3.02Å; E638-L641 WeakPolarHBondContact O-CB 3.4Å; E638-L641 PolarHBondContact O-N 3.05Å; E638-E642 WeakPolarHBondContact O-CB 3.47Å; E638-E642 PolarHBondContact O-N 3.31Å
639F93.3Very high92.4Very high33 Ų3355 Ų5515%0.14526%0.257CS..Hα-helixtrans-61.6-46.4176.6173.4-98.6000112.7L564 E593 I597 E635 I636 L641 E642 K643L564-F639 HydrophobicContact CD1-CD1 4.16Å; L564-F639 HydrophobicContact CD1-CE1 3.56Å; L564-F639 HydrophobicContact CD1-CZ 4.39Å; E593-F639 HydrophobicContact CB-CE1 3.81Å; E593-F639 HydrophobicContact CB-CZ 3.97Å; E593-F639 HydrophobicContact CG-CE1 4.24Å; E593-F639 HydrophobicContact CG-CZ 4.25Å; I597-F639 HydrophobicContact CD1-CB 3.7Å; I597-F639 HydrophobicContact CD1-CD1 3.31Å; I597-F639 HydrophobicContact CD1-CD2 3.6Å; I597-F639 HydrophobicContact CD1-CE1 3.68Å; I597-F639 HydrophobicContact CD1-CE2 3.95Å; I597-F639 HydrophobicContact CD1-CG 3.24Å; I597-F639 HydrophobicContact CD1-CZ 3.98Å; I597-F639 HydrophobicContact CG1-CD1 4.48Å; I597-F639 HydrophobicContact CG1-CD2 3.97Å; I597-F639 HydrophobicContact CG1-CE2 4.19Å; I597-F639 HydrophobicContact CG1-CG 4.1Å; E635-F639 WeakPolarHBondContact O-CB 3.48Å; E635-F639 PolarHBondContact O-N 3.36Å; I636-F639 PolarHBondContact O-N 2.91Å; F639-L641 VanDerWaalsContact C-N 3.3Å; F639-L641 PolarHBondContact O-N 3.32Å; F639-E642 PolarHBondContact O-N 2.9Å; F639-K643 HydrophobicContact CD1-CG 4.44Å; F639-K643 HydrophobicContact CD2-CG 4.34Å; F639-K643 HydrophobicContact CE1-CG 4.07Å; F639-K643 HydrophobicContact CE2-CD 4.46Å; F639-K643 HydrophobicContact CE2-CG 3.96Å; F639-K643 HydrophobicContact CZ-CD 4.41Å; F639-K643 HydrophobicContact CZ-CG 3.83Å; F639-K643 WeakPolarHBondContact O-CB 3.29Å; F639-K643 WeakPolarHBondContact O-CG 3.26Å; F639-K643 PolarHBondContact O-N 3.29Å
640V95.7Very high92.6Very high0 Ų058 Ų580%027%0.271CS..Hα-helixtrans-61.5-43.2177.7172.40000110V583 L590 I636 R637 K643 M644 I662 L664V583-V640 HydrophobicContact CG1-CG1 4.3Å; L590-V640 HydrophobicContact CD1-CG2 3.68Å; I636-V640 VanDerWaalsContact O-CG2 3.28Å; I636-V640 WeakPolarHBondContact O-CG2 3.26Å; I636-V640 PolarHBondContact O-N 3.48Å; R637-V640 PolarHBondContact O-N 3.3Å; V640-K643 PolarHBondContact O-N 2.97Å; V640-M644 WeakPolarHBondContact O-CB 3.09Å; V640-M644 VanDerWaalsContact O-CG 3.31Å; V640-M644 WeakPolarHBondContact O-CG 3.49Å; V640-M644 PolarHBondContact O-N 3.26Å; V640-I662 HydrophobicContact CB-CD1 4.07Å; V640-I662 HydrophobicContact CG1-CD1 3.81Å; V640-L664 HydrophobicContact CB-CD2 4.28Å; V640-L664 HydrophobicContact CG1-CD2 4Å; V640-L664 HydrophobicContact CG2-CD1 4.42Å; V640-L664 HydrophobicContact CG2-CD2 4.47Å
641L96.9Very high92.5Very high27 Ų2760.6 Ų60.614%0.14128%0.282CS..Hα-helixtrans-61.6-45.3176.9-179.854.4000112.8R637 E638 F639 M644 N645 A659 R660 I662R637-L641 WeakPolarHBondContact O-CB 3.4Å; R637-L641 PolarHBondContact O-N 3.02Å; E638-L641 WeakPolarHBondContact O-CB 3.4Å; E638-L641 PolarHBondContact O-N 3.05Å; F639-L641 VanDerWaalsContact C-N 3.3Å; F639-L641 PolarHBondContact O-N 3.32Å; L641-M644 HydrophobicContact CD1-CG 4.31Å; L641-M644 HydrophobicContact CD1-SD 4.17Å; L641-M644 VanDerWaalsContact O-CG 3.24Å; L641-M644 WeakPolarHBondContact O-CG 3.44Å; L641-N645 VanDerWaalsContact CD1-ND2 3.31Å; L641-N645 WeakPolarHBondContact CD1-ND2 3.4Å; L641-N645 VanDerWaalsContact O-CB 3.25Å; L641-N645 WeakPolarHBondContact O-CB 3.12Å; L641-N645 PolarHBondContact O-N 3.29Å; L641-A659 WeakPolarHBondContact CD1-O 3.49Å; L641-R660 WeakPolarHBondContact CD2-O 3.22Å; L641-I662 HydrophobicContact CB-CD1 3.82Å; L641-I662 HydrophobicContact CB-CG1 4.08Å; L641-I662 HydrophobicContact CD1-CG2 3.73Å
642E95.5Very high92.2Very high136 Ų13662.5 Ų62.564%0.63630%0.304SS*.Hα-helixtrans-64-46.8178.9-172.7-176.3178.500111E638 F639 N645 S646E638-E642 WeakPolarHBondContact O-CB 3.47Å; E638-E642 PolarHBondContact O-N 3.31Å; F639-E642 PolarHBondContact O-N 2.9Å; E642-N645 PolarHBondContact O-N 2.9Å; E642-S646 WeakPolarHBondContact O-CB 3.39Å; E642-S646 PolarHBondContact O-N 3.31Å
643K94.4Very high92.1Very high97 Ų9758.1 Ų58.142%0.42228%0.277SS..Hα-helixtrans-62-45.7178.6-75.8-66.2-174.1-177.30112.3L564 F639 V640 S646 I647L564-K643 HydrophobicContact CD1-CB 4.04Å; L564-K643 HydrophobicContact CD1-CG 4.13Å; F639-K643 HydrophobicContact CD1-CG 4.44Å; F639-K643 HydrophobicContact CD2-CG 4.34Å; F639-K643 HydrophobicContact CE1-CG 4.07Å; F639-K643 HydrophobicContact CE2-CD 4.46Å; F639-K643 HydrophobicContact CE2-CG 3.96Å; F639-K643 HydrophobicContact CZ-CD 4.41Å; F639-K643 HydrophobicContact CZ-CG 3.83Å; F639-K643 WeakPolarHBondContact O-CB 3.29Å; F639-K643 WeakPolarHBondContact O-CG 3.26Å; F639-K643 PolarHBondContact O-N 3.29Å; V640-K643 PolarHBondContact O-N 2.97Å; K643-S646 PolarHBondContact O-N 3.05Å; K643-I647 WeakPolarHBondContact O-CG1 3.46Å; K643-I647 PolarHBondContact O-N 2.9Å
644M95.5Very high91.9Very high0 Ų060.2 Ų60.20%029%0.288CS..Hα-helixtrans-66.9-39.617974.5-169.5-65.300111.8Y559 C562 I565 V568 V583 V640 L641 A648 I662Y559-M644 HydrophobicContact CD1-CB 3.8Å; Y559-M644 HydrophobicContact CD1-CE 3.63Å; Y559-M644 HydrophobicContact CD1-CG 4.09Å; Y559-M644 HydrophobicContact CD2-CE 3.44Å; Y559-M644 VanDerWaalsContact CD2-CE 3.44Å; Y559-M644 HydrophobicContact CE1-CB 4.04Å; Y559-M644 HydrophobicContact CE1-CE 3.8Å; Y559-M644 HydrophobicContact CE1-CG 3.87Å; Y559-M644 WeakPolarHBondContact CE1-O 3.46Å; Y559-M644 HydrophobicContact CE2-CE 3.61Å; Y559-M644 HydrophobicContact CG-CE 3.45Å; Y559-M644 VanDerWaalsContact CG-CE 3.45Å; C562-M644 HydrophobicContact CB-CB 4.4Å; I565-M644 HydrophobicContact CD1-CB 3.73Å; I565-M644 HydrophobicContact CD1-CE 3.52Å; I565-M644 HydrophobicContact CD1-SD 4.15Å; V568-M644 HydrophobicContact CG2-CE 4.24Å; V583-M644 HydrophobicContact CG2-CE 3.9Å; V583-M644 HydrophobicContact CG2-SD 4.19Å; V640-M644 WeakPolarHBondContact O-CB 3.09Å; V640-M644 VanDerWaalsContact O-CG 3.31Å; V640-M644 WeakPolarHBondContact O-CG 3.49Å; V640-M644 PolarHBondContact O-N 3.26Å; L641-M644 HydrophobicContact CD1-CG 4.31Å; L641-M644 HydrophobicContact CD1-SD 4.17Å; L641-M644 VanDerWaalsContact O-CG 3.24Å; L641-M644 WeakPolarHBondContact O-CG 3.44Å; M644-A648 WeakPolarHBondContact O-CB 3.48Å; M644-A648 PolarHBondContact O-N 3.21Å; M644-I662 HydrophobicContact SD-CD1 4Å; M644-I662 HydrophobicContact SD-CG2 4.01Å
645N97.3Very high91.8Very high13 Ų1357.5 Ų57.57%0.0729%0.294CS..Hα-helixtrans-71.1-31.6177.1-79.6-16.8000113Y559 L641 E642 A648 R649 L658 A659Y559-N645 PolarHBondContact OH-OD1 2.92Å; L641-N645 VanDerWaalsContact CD1-ND2 3.31Å; L641-N645 WeakPolarHBondContact CD1-ND2 3.4Å; L641-N645 VanDerWaalsContact O-CB 3.25Å; L641-N645 WeakPolarHBondContact O-CB 3.12Å; L641-N645 PolarHBondContact O-N 3.29Å; E642-N645 PolarHBondContact O-N 2.9Å; N645-A648 PolarHBondContact O-N 3.35Å; N645-R649 VanDerWaalsContact O-CG 3.32Å; N645-R649 WeakPolarHBondContact O-CG 3.47Å; N645-R649 PolarHBondContact O-N 3.48Å; N645-L658 HydrophobicContact CB-CD1 4.45Å; N645-A659 PolarHBondContact ND2-O 2.9Å
646S96Very high91.6Very high47 Ų4756.7 Ų56.733%0.32929%0.289SS..Hα-helixtrans-60.3-53.1172-168.10000110.9E642 K643 A648 R649 E650E642-S646 WeakPolarHBondContact O-CB 3.39Å; E642-S646 PolarHBondContact O-N 3.31Å; K643-S646 PolarHBondContact O-N 3.05Å; S646-A648 VanDerWaalsContact C-N 3.29Å; S646-A648 PolarHBondContact O-N 3.47Å; S646-R649 PolarHBondContact O-N 2.84Å; S646-E650 WeakPolarHBondContact O-CG 3.46Å; S646-E650 PolarHBondContact O-N 3.14Å; S646-E650 PolarHBondContact OG-OE1 3.12Å
647I91.6Very high91.4Very high40 Ų4057 Ų5721%0.20529%0.291CS..Hα-helixtrans-61.2-40.3179.2-67.1169.7000110.8F561 C562 K643 E650 K651F561-I647 HydrophobicContact CB-CG2 3.89Å; C562-I647 HydrophobicContact CB-CD1 3.68Å; K643-I647 WeakPolarHBondContact O-CG1 3.46Å; K643-I647 PolarHBondContact O-N 2.9Å; I647-E650 PolarHBondContact O-N 2.97Å; I647-K651 HydrophobicContact CG2-CD 4.42Å; I647-K651 WeakPolarHBondContact O-CB 3.31Å; I647-K651 PolarHBondContact O-N 3.44Å
648A90.9Very high91.5Very high0 Ų055.2 Ų55.20%029%0.285CS..Hα-helixtrans-62.4-41.9176.800000113.6T558 Y559 M644 N645 S646 K651 G652 L653 L658T558-A648 HydrophobicContact CG2-CB 4.14Å; Y559-A648 HydrophobicContact CD1-CB 4.04Å; Y559-A648 HydrophobicContact CE1-CB 3.6Å; M644-A648 WeakPolarHBondContact O-CB 3.48Å; M644-A648 PolarHBondContact O-N 3.21Å; N645-A648 PolarHBondContact O-N 3.35Å; S646-A648 VanDerWaalsContact C-N 3.29Å; S646-A648 PolarHBondContact O-N 3.47Å; A648-K651 CarbonylContact O-C 3.46Å; A648-K651 PolarHBondContact O-N 2.68Å; A648-G652 PolarHBondContact O-N 3.01Å; A648-L653 HydrophobicContact CB-CB 4.27Å; A648-L653 HydrophobicContact CB-CD1 3.83Å; A648-L653 HydrophobicContact CB-CG 4.21Å; A648-L653 WeakPolarHBondContact O-CB 3.24Å; A648-L653 PolarHBondContact O-N 2.97Å; A648-L658 HydrophobicContact CB-CD2 3.55Å
649R93.8Very high91.7Very high148 Ų14850.5 Ų50.556%0.55826%0.263SS*.Hα-helixtrans-65.6-42.5174.7-72178.7-160122.8-0.5111.8N645 S646 K651 G652 L658N645-R649 VanDerWaalsContact O-CG 3.32Å; N645-R649 WeakPolarHBondContact O-CG 3.47Å; N645-R649 PolarHBondContact O-N 3.48Å; S646-R649 PolarHBondContact O-N 2.84Å; R649-K651 PolarHBondContact O-N 3.08Å; R649-G652 PolarHBondContact O-N 3.04Å; R649-L658 HydrophobicContact CG-CD1 3.79Å
650E91.1Very high91.8Very high151 Ų15156 Ų5671%0.70628%0.283SS*.Hα-helixtrans-58.6-35175.2-72.4167.6-153.500111.8S646 I647 G652S646-E650 WeakPolarHBondContact O-CG 3.46Å; S646-E650 PolarHBondContact O-N 3.14Å; S646-E650 PolarHBondContact OG-OE1 3.12Å; I647-E650 PolarHBondContact O-N 2.97Å; E650-G652 VanDerWaalsContact C-N 3.28Å; E650-G652 PolarHBondContact O-N 2.98Å
651K86.6Confident91.9Very high60 Ų6056.3 Ų56.326%0.26128%0.284SS..THydrogen-bonded Turntrans-83.74.9174-76.1-175.9161.5-103.40114.8D420 D422 T558 F561 I647 A648 R649D420-K651 IonicContact OD1-NZ 3.37Å; D420-K651 PolarHBondContact OD1-NZ 3.39Å; D420-K651 IonicContact OD2-NZ 3.72Å; D422-K651 IonicContact OD2-NZ 3.05Å; D422-K651 PolarHBondContact OD2-NZ 3.28Å; T558-K651 HydrophobicContact CG2-CB 3.68Å; T558-K651 HydrophobicContact CG2-CD 3.73Å; T558-K651 HydrophobicContact CG2-CG 4.32Å; F561-K651 HydrophobicContact CB-CD 4.32Å; F561-K651 VanDerWaalsContact CD1-CE 3.41Å; F561-K651 HydrophobicContact CD2-CD 3.87Å; F561-K651 VanDerWaalsContact CD2-NZ 3.3Å; F561-K651 HydrophobicContact CE2-CD 4.36Å; F561-K651 HydrophobicContact CG-CD 4.03Å; I647-K651 HydrophobicContact CG2-CD 4.42Å; I647-K651 WeakPolarHBondContact O-CB 3.31Å; I647-K651 PolarHBondContact O-N 3.44Å; A648-K651 CarbonylContact O-C 3.46Å; A648-K651 PolarHBondContact O-N 2.68Å; R649-K651 PolarHBondContact O-N 3.08Å
652G85.6Confident91.9Very high52 Ų5255 Ų5554%0.53628%0.277SS..THydrogen-bonded Turntrans84.118.3171.600000115.6A648 R649 E650A648-G652 PolarHBondContact O-N 3.01Å; R649-G652 PolarHBondContact O-N 3.04Å; E650-G652 VanDerWaalsContact C-N 3.28Å; E650-G652 PolarHBondContact O-N 2.98Å
653L87.5Confident92Very high10 Ų1052.7 Ų52.75%0.05226%0.263CS..  trans-66.3134.8166.1-65.2-165.6000110.3K554 V555 T558 A648 E657 L658K554-L653 HydrophobicContact CD-CD2 4.18Å; K554-L653 VanDerWaalsContact CE-CD2 3.49Å; K554-L653 HydrophobicContact CG-CD2 4.25Å; V555-L653 HydrophobicContact CB-CD1 4.24Å; V555-L653 HydrophobicContact CG1-CD1 3.94Å; V555-L653 HydrophobicContact CG2-CD1 4.2Å; T558-L653 HydrophobicContact CG2-CD1 3.93Å; T558-L653 HydrophobicContact CG2-CG 3.97Å; A648-L653 HydrophobicContact CB-CB 4.27Å; A648-L653 HydrophobicContact CB-CD1 3.83Å; A648-L653 HydrophobicContact CB-CG 4.21Å; A648-L653 WeakPolarHBondContact O-CB 3.24Å; A648-L653 PolarHBondContact O-N 2.97Å; L653-E657 WeakPolarHBondContact CA-OE2 3.49Å; L653-E657 HydrophobicContact CB-CB 4.26Å; L653-L658 HydrophobicContact CB-CD2 3.86Å; L653-L658 HydrophobicContact CD1-CD2 4.4Å
654K82.9Confident92.2Very high122 Ų12248.1 Ų48.153%0.5324%0.243SC..  trans-72.8156.8175.9-61.5179.3-179178.60110.2F656 E657K654-F656 HydrophobicContact CB-CD1 3.95Å; K654-F656 HydrophobicContact CB-CE1 3.74Å; K654-F656 HydrophobicContact CB-CZ 4.18Å; K654-F656 HydrophobicContact CD-CD1 4.32Å; K654-F656 HydrophobicContact CD-CE1 3.34Å; K654-F656 HydrophobicContact CD-CZ 3.59Å; K654-F656 HydrophobicContact CG-CE1 4.21Å; K654-F656 PolarHBondContact O-N 3.36Å; K654-F656 VanDerWaalsContact O-N 3.13Å; K654-E657 HydrophobicContact CB-CG 4.26Å; K654-E657 PolarHBondContact N-OE2 3.42Å; K654-E657 WeakPolarHBondContact O-CB 3.39Å; K654-E657 PolarHBondContact O-N 3.44Å
655G86.6Confident92.2Very high62 Ų6248.3 Ų48.364%0.63925%0.245SC*.G310 helixtrans-54.5-36.2-177.400000114.6E657 L658G655-E657 VanDerWaalsContact C-N 3.32Å; G655-E657 PolarHBondContact O-N 3.43Å; G655-L658 PolarHBondContact O-N 3.1Å
656F84.4Confident92.1Very high41 Ų4150 Ų5018%0.1826%0.256CS..G310 helixtrans-75.4-17.917868.2-104.6000114L544 E548 V550 K654 L658L544-F656 HydrophobicContact CD1-CB 4.19Å; L544-F656 HydrophobicContact CD1-CD2 4.39Å; L544-F656 WeakPolarHBondContact CD1-O 3.45Å; E548-F656 HydrophobicContact CB-CD1 4.32Å; E548-F656 HydrophobicContact CB-CD2 3.78Å; E548-F656 HydrophobicContact CB-CE1 4.24Å; E548-F656 HydrophobicContact CB-CE2 3.75Å; E548-F656 HydrophobicContact CB-CG 4.08Å; E548-F656 HydrophobicContact CB-CZ 3.97Å; E548-F656 HydrophobicContact CG-CD1 3.92Å; E548-F656 HydrophobicContact CG-CD2 4.29Å; E548-F656 HydrophobicContact CG-CE1 3.83Å; E548-F656 HydrophobicContact CG-CE2 4.26Å; E548-F656 HydrophobicContact CG-CG 4.13Å; E548-F656 HydrophobicContact CG-CZ 4.03Å; E548-F656 WeakPolarHBondContact OE2-CE1 3.34Å; E548-F656 WeakPolarHBondContact OE2-CZ 3.17Å; V550-F656 HydrophobicContact CG2-CD2 3.76Å; V550-F656 HydrophobicContact CG2-CE2 4.05Å; K654-F656 HydrophobicContact CB-CD1 3.95Å; K654-F656 HydrophobicContact CB-CE1 3.74Å; K654-F656 HydrophobicContact CB-CZ 4.18Å; K654-F656 HydrophobicContact CD-CD1 4.32Å; K654-F656 HydrophobicContact CD-CE1 3.34Å; K654-F656 HydrophobicContact CD-CZ 3.59Å; K654-F656 HydrophobicContact CG-CE1 4.21Å; K654-F656 PolarHBondContact O-N 3.36Å; K654-F656 VanDerWaalsContact O-N 3.13Å; F656-L658 VanDerWaalsContact C-N 3.33Å
657E88.5Confident92Very high10 Ų1050.5 Ų50.55%0.04725%0.253CS..G310 helixtrans-80.4-19.4175.8-62.1-179.2103.700111.5K554 V555 L653 K654 G655K554-E657 IonicContact NZ-OE1 2.72Å; K554-E657 PolarHBondContact NZ-OE1 2.95Å; K554-E657 IonicContact NZ-OE2 3.13Å; K554-E657 PolarHBondContact NZ-OE2 3.05Å; V555-E657 WeakPolarHBondContact CG1-O 3.38Å; V555-E657 HydrophobicContact CG2-CB 4.07Å; L653-E657 WeakPolarHBondContact CA-OE2 3.49Å; L653-E657 HydrophobicContact CB-CB 4.26Å; K654-E657 HydrophobicContact CB-CG 4.26Å; K654-E657 PolarHBondContact N-OE2 3.42Å; K654-E657 WeakPolarHBondContact O-CB 3.39Å; K654-E657 PolarHBondContact O-N 3.44Å; G655-E657 VanDerWaalsContact C-N 3.32Å; G655-E657 PolarHBondContact O-N 3.43Å
658L95.6Very high92Very high12 Ų1251.3 Ų51.36%0.06326%0.262CS..SBendtrans-73.6135.5-178.1-54.7-179.7000110.9Y559 N645 A648 R649 L653 G655 F656 R660Y559-L658 WeakPolarHBondContact OH-CA 3.49Å; N645-L658 HydrophobicContact CB-CD1 4.45Å; A648-L658 HydrophobicContact CB-CD2 3.55Å; R649-L658 HydrophobicContact CG-CD1 3.79Å; L653-L658 HydrophobicContact CB-CD2 3.86Å; L653-L658 HydrophobicContact CD1-CD2 4.4Å; G655-L658 PolarHBondContact O-N 3.1Å; F656-L658 VanDerWaalsContact C-N 3.33Å; L658-R660 PolarHBondContact O-N 2.97Å
659A96.8Very high92.1Very high0 Ų051.5 Ų51.50%026%0.262CS..EExtended strand (participates in β ladder)trans-58.2127.5166.100000109.6Y559 A579 A581 L641 N645 I662Y559-A659 HydrophobicContact CE2-CB 4.21Å; Y559-A659 PolarHBondContact OH-N 2.83Å; A579-A659 WeakPolarHBondContact O-CA 3.24Å; A581-A659 HydrophobicContact CB-CB 3.98Å; L641-A659 WeakPolarHBondContact CD1-O 3.49Å; N645-A659 PolarHBondContact ND2-O 2.9Å; A659-I662 HydrophobicContact CB-CG2 4.16Å
660R95.5Very high91.9Very high149 Ų14946.4 Ų46.456%0.56225%0.248SC*.EExtended strand (participates in β ladder)trans-82-36176.9-177.265.2175.2-166.4-0.2112.1Y578 A579 L641 L658 E702Y578-R660 HydrophobicContact CD1-CB 4.26Å; Y578-R660 HydrophobicContact CD1-CG 4.06Å; Y578-R660 HydrophobicContact CD2-CB 3.28Å; Y578-R660 HydrophobicContact CD2-CG 3.79Å; Y578-R660 HydrophobicContact CE1-CG 4.31Å; Y578-R660 HydrophobicContact CE2-CB 3.92Å; Y578-R660 HydrophobicContact CE2-CG 4.06Å; Y578-R660 HydrophobicContact CG-CB 3.49Å; Y578-R660 VanDerWaalsContact CG-CB 3.49Å; Y578-R660 HydrophobicContact CG-CG 3.8Å; A579-R660 PolarHBondContact O-N 3.42Å; L641-R660 WeakPolarHBondContact CD2-O 3.22Å; L658-R660 PolarHBondContact O-N 2.97Å; R660-E702 HydrophobicContact CG-CG 4.21Å; R660-E702 WeakPolarHBondContact CG-OE2 3.49Å; R660-E702 IonicContact CZ-OE2 2.78Å; R660-E702 IonicContact NE-OE2 3.87Å; R660-E702 PolarHBondContact NE-OE2 3.34Å; R660-E702 IonicContact NH2-OE2 3.63Å
661N96.6Very high91.4Very high6 Ų640.7 Ų40.73%0.03222%0.223CC..EExtended strand (participates in β ladder)trans-141.6152.6179.5-164.63.1000109.7V580 A581 L698 E701 E702V580-N661 VanDerWaalsContact CA-O 3.32Å; V580-N661 WeakPolarHBondContact CA-O 3.39Å; V580-N661 WeakPolarHBondContact CB-O 3.48Å; V580-N661 HydrophobicContact CG1-CB 4.35Å; A581-N661 PolarHBondContact N-O 3.44Å; N661-L698 HydrophobicContact CB-CD2 4.42Å; N661-L698 PolarHBondContact ND2-O 2.94Å; N661-E701 PolarHBondContact ND2-OE2 2.75Å; N661-E702 HydrophobicContact CB-CG 4.15Å
662I97.6Very high91.2Very high0 Ų045.1 Ų45.10%025%0.25CC..EExtended strand (participates in β ladder)trans-134.5149.7-178.765172.4000112.9A581 V583 R637 V640 L641 M644 A659 L664 L698A581-I662 HydrophobicContact CB-CG2 3.95Å; A581-I662 CarbonylContact O-C 3.49Å; A581-I662 WeakPolarHBondContact O-CA 3.26Å; A581-I662 WeakPolarHBondContact O-CB 3.05Å; V583-I662 HydrophobicContact CG2-CB 4.3Å; V583-I662 HydrophobicContact CG2-CD1 4.33Å; V583-I662 HydrophobicContact CG2-CG2 4.29Å; R637-I662 WeakPolarHBondContact CD-O 3.3Å; R637-I662 HydrophobicContact CG-CG1 3.86Å; R637-I662 WeakPolarHBondContact CG-O 3.34Å; V640-I662 HydrophobicContact CB-CD1 4.07Å; V640-I662 HydrophobicContact CG1-CD1 3.81Å; L641-I662 HydrophobicContact CB-CD1 3.82Å; L641-I662 HydrophobicContact CB-CG1 4.08Å; L641-I662 HydrophobicContact CD1-CG2 3.73Å; M644-I662 HydrophobicContact SD-CD1 4Å; M644-I662 HydrophobicContact SD-CG2 4.01Å; A659-I662 HydrophobicContact CB-CG2 4.16Å; I662-L664 HydrophobicContact CD1-CD2 3.85Å; I662-L698 VanDerWaalsContact C-CD2 3.46Å; I662-L698 WeakPolarHBondContact O-CD2 3.26Å
663Y97.7Very high91.4Very high86 Ų8645.4 Ų45.434%0.33724%0.239SC..EExtended strand (participates in β ladder)trans-106.6127.3166.1175.4-106.7000109.8A581 V582 V583 F691 T694A581-Y663 PolarHBondContact O-N 3.33Å; V582-Y663 HydrophobicContact CG1-CD1 4.09Å; V583-Y663 PolarHBondContact N-O 3.05Å; Y663-F691 HydrophobicContact CE1-CE1 4.27Å; Y663-T694 VanDerWaalsContact CB-CG2 3.47Å; Y663-T694 HydrophobicContact CD1-CG2 3.41Å; Y663-T694 VanDerWaalsContact CD1-CG2 3.41Å; Y663-T694 HydrophobicContact CD2-CG2 3.67Å; Y663-T694 HydrophobicContact CE1-CG2 3.97Å; Y663-T694 HydrophobicContact CE2-CG2 4.22Å; Y663-T694 HydrophobicContact CG-CG2 3.23Å
664L97.8Very high91.3Very high1 Ų146 Ų461%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-87.8124.8172.3-58.9-174.8000109.5V583 P585 C631 I636 R637 V640 I662V583-L664 HydrophobicContact CB-CD2 3.98Å; V583-L664 HydrophobicContact CG1-CD2 4.14Å; V583-L664 CarbonylContact O-C 3.46Å; V583-L664 VanDerWaalsContact O-CA 3.31Å; V583-L664 WeakPolarHBondContact O-CA 3.31Å; P585-L664 HydrophobicContact CG-CD2 4.4Å; C631-L664 HydrophobicContact CB-CB 3.81Å; C631-L664 WeakPolarHBondContact CB-O 3.49Å; I636-L664 HydrophobicContact CG2-CD1 3.92Å; R637-L664 HydrophobicContact CB-CD1 4.3Å; R637-L664 HydrophobicContact CB-CG 4.48Å; R637-L664 HydrophobicContact CG-CG 4.42Å; V640-L664 HydrophobicContact CB-CD2 4.28Å; V640-L664 HydrophobicContact CG1-CD2 4Å; V640-L664 HydrophobicContact CG2-CD1 4.42Å; V640-L664 HydrophobicContact CG2-CD2 4.47Å; I662-L664 HydrophobicContact CD1-CD2 3.85Å
665T96.8Very high91.7Very high4 Ų440.4 Ų40.43%0.02522%0.223CC..  trans-112.9137.5176.4-176.50000112.2V582 V583 K584 P585 E667 F669 F691V582-T665 HydrophobicContact CG1-CG2 3.9Å; V583-T665 PolarHBondContact O-N 3.03Å; K584-T665 HydrophobicContact CB-CG2 3.9Å; P585-T665 WeakPolarHBondContact CD-O 3.44Å; T665-E667 VanDerWaalsContact C-N 3.26Å; T665-E667 WeakPolarHBondContact OG1-CB 3.35Å; T665-E667 PolarHBondContact OG1-N 3.48Å; T665-E667 VanDerWaalsContact OG1-N 3.14Å; T665-F669 HydrophobicContact CG2-CE1 4.19Å; T665-F691 HydrophobicContact CG2-CZ 4.23Å
666P94.6Very high91.7Very high48 Ų4837.9 Ų37.931%0.31220%0.195SC..SBendtrans-73.1-20168.632-35.2000113.2F587 N627 A628F587-P666 HydrophobicContact CE2-CB 4.48Å; F587-P666 HydrophobicContact CZ-CB 4.21Å; N627-P666 HydrophobicContact CB-CB 4.03Å; A628-P666 HydrophobicContact CB-CG 4.26Å
667E94.1Very high91.5Very high58 Ų5837 Ų3727%0.27119%0.194SC..SBendtrans-74122.4-173.8-171.7-176.3-178.400111.8K584 T665 N673 H690K584-E667 VanDerWaalsContact CG-O 3.32Å; K584-E667 WeakPolarHBondContact CG-O 3.15Å; T665-E667 VanDerWaalsContact C-N 3.26Å; T665-E667 WeakPolarHBondContact OG1-CB 3.35Å; T665-E667 PolarHBondContact OG1-N 3.48Å; T665-E667 VanDerWaalsContact OG1-N 3.14Å; E667-N673 PolarHBondContact OE1-ND2 3.01Å; E667-N673 VanDerWaalsContact OE1-ND2 3.14Å; E667-H690 IonicContact OE1-CE1 3.93Å; E667-H690 IonicContact OE1-NE2 3.24Å; E667-H690 PolarHBondContact OE1-NE2 3.41Å; E667-H690 IonicContact OE2-CD2 3.44Å; E667-H690 IonicContact OE2-CE1 3.94Å; E667-H690 IonicContact OE2-NE2 2.78Å; E667-H690 PolarHBondContact OE2-NE2 3.27Å
668P91.2Very high90.6Very high58 Ų5837.9 Ų37.938%0.37720%0.2SC..PPolyproline II helixtrans-69.6145.1172.331.1-33.5000111.2T670 N673P668-T670 HydrophobicContact CB-CG2 3.98Å; P668-T670 HydrophobicContact CG-CG2 4.04Å; P668-N673 PolarHBondContact O-ND2 2.9Å
669F92.6Very high89.4Confident3 Ų339.4 Ų39.41%0.01321%0.21CC..PPolyproline II helixtrans-82.8120.5165.9-54.4-13000106.7H567 V582 T665 L675 L676 L682 L687 F691H567-F669 HydrophobicContact CB-CB 4.36Å; H567-F669 HydrophobicContact CB-CD2 3.33Å; H567-F669 HydrophobicContact CB-CE2 3.65Å; H567-F669 HydrophobicContact CB-CG 3.9Å; H567-F669 HydrophobicContact CB-CZ 4.44Å; H567-F669 PolarHBondContact CE1-N 3.23Å; H567-F669 PolarHBondContact CE1-O 2.85Å; H567-F669 AromaticContact CG-CD2 3.89Å; H567-F669 AromaticContact ND1-CG 3.82Å; H567-F669 PolarHBondContact ND1-N 3.1Å; H567-F669 VanDerWaalsContact ND1-N 3.15Å; V582-F669 HydrophobicContact CG1-CZ 4.15Å; T665-F669 HydrophobicContact CG2-CE1 4.19Å; F669-L675 HydrophobicContact CB-CB 3.87Å; F669-L675 HydrophobicContact CD1-CB 4.23Å; F669-L675 HydrophobicContact CD1-CD1 3.62Å; F669-L675 HydrophobicContact CE1-CD1 4.22Å; F669-L675 HydrophobicContact CG-CB 4.19Å; F669-L675 HydrophobicContact CG-CD1 4.4Å; F669-L676 HydrophobicContact CB-CD1 4.46Å; F669-L676 HydrophobicContact CB-CD2 4.04Å; F669-L676 HydrophobicContact CB-CG 3.88Å; F669-L676 WeakPolarHBondContact O-CD1 3.46Å; F669-L682 HydrophobicContact CD2-CD2 3.71Å; F669-L682 HydrophobicContact CE2-CD2 4.12Å; F669-L687 HydrophobicContact CD1-CD2 4.07Å; F669-L687 HydrophobicContact CD2-CD2 4.09Å; F669-L687 HydrophobicContact CE1-CD2 3.83Å; F669-L687 HydrophobicContact CE2-CD2 3.85Å; F669-L687 HydrophobicContact CG-CD2 4.21Å; F669-L687 HydrophobicContact CZ-CD2 3.72Å; F669-F691 AromaticContact CE1-CE2 3.72Å; F669-F691 HydrophobicContact CE1-CE2 3.72Å; F669-F691 AromaticContact CE1-CZ 3.95Å; F669-F691 HydrophobicContact CE1-CZ 3.95Å; F669-F691 HydrophobicContact CZ-CE2 4.1Å
670T90.2Very high88.5Confident42 Ų4242.6 Ų42.626%0.25823%0.225SC..  trans-132.2163.8-177.865.10000109.4P668 D672 N673 L675 L676P668-T670 HydrophobicContact CB-CG2 3.98Å; P668-T670 HydrophobicContact CG-CG2 4.04Å; T670-D672 VanDerWaalsContact C-N 3.31Å; T670-N673 WeakPolarHBondContact CA-OD1 3.18Å; T670-N673 PolarHBondContact N-OD1 3.41Å; T670-N673 PolarHBondContact O-OD1 2.82Å; T670-N673 PolarHBondContact OG1-N 3.3Å; T670-N673 PolarHBondContact OG1-OD1 3.28Å; T670-L675 PolarHBondContact O-N 3.48Å; T670-L675 VanDerWaalsContact O-N 3.12Å; T670-L676 PolarHBondContact O-N 2.81Å
671V80.1Confident87.8Confident30 Ų3037.7 Ų37.718%0.18221%0.208CC..THydrogen-bonded Turntrans-69.5-38.6171.2-173.50000109.4T163 N673 G674 L676 M680T163-V671 HydrophobicContact CG2-CG1 4.05Å; T163-V671 WeakPolarHBondContact OG1-CG1 3.49Å; V671-N673 PolarHBondContact O-N 3.41Å; V671-G674 WeakPolarHBondContact O-CA 3.41Å; V671-G674 PolarHBondContact O-N 3.36Å; V671-L676 HydrophobicContact CG2-CB 4.05Å; V671-M680 HydrophobicContact CG2-SD 4.23Å
672D83.8Confident87.4Confident154 Ų15439 Ų3982%0.82422%0.215SC*.THydrogen-bonded Turntrans-60.2-42.4-179.2-55.3-16.2000113.7T670 G674T670-D672 VanDerWaalsContact C-N 3.31Å; D672-G674 PolarHBondContact O-N 3.47Å
673N89Confident86.8Confident58 Ų5839.8 Ų39.831%0.3122%0.222SC..THydrogen-bonded Turntrans-85.49.3173.473.2-11.6000113.9E667 P668 T670 V671 L675E667-N673 PolarHBondContact OE1-ND2 3.01Å; E667-N673 VanDerWaalsContact OE1-ND2 3.14Å; P668-N673 PolarHBondContact O-ND2 2.9Å; T670-N673 WeakPolarHBondContact CA-OD1 3.18Å; T670-N673 PolarHBondContact N-OD1 3.41Å; T670-N673 PolarHBondContact O-OD1 2.82Å; T670-N673 PolarHBondContact OG1-N 3.3Å; T670-N673 PolarHBondContact OG1-OD1 3.28Å; V671-N673 PolarHBondContact O-N 3.41Å; N673-L675 WeakPolarHBondContact ND2-CD1 3.42Å; N673-L675 PolarHBondContact O-N 2.81Å; N673-L675 VanDerWaalsContact O-N 3.16Å; N673-L675 WeakPolarHBondContact OD1-CB 3.45Å; N673-L675 PolarHBondContact OD1-N 3.27Å
674G84.9Confident86.3Confident23 Ų2336.3 Ų36.324%0.23721%0.208CC..THydrogen-bonded Turntrans6811.717600000115.3V671 D672 A683 N686V671-G674 WeakPolarHBondContact O-CA 3.41Å; V671-G674 PolarHBondContact O-N 3.36Å; D672-G674 PolarHBondContact O-N 3.47Å; G674-A683 WeakPolarHBondContact O-CB 3.38Å; G674-N686 WeakPolarHBondContact O-CB 3.46Å; G674-N686 PolarHBondContact O-ND2 3.05Å
675L90.6Very high85.4Confident3 Ų337.7 Ų37.72%0.01622%0.215CC..SBendtrans-87.9-14.9178-60.5-173.1000112.8F669 T670 N673 A683 N686 L687 H690F669-L675 HydrophobicContact CB-CB 3.87Å; F669-L675 HydrophobicContact CD1-CB 4.23Å; F669-L675 HydrophobicContact CD1-CD1 3.62Å; F669-L675 HydrophobicContact CE1-CD1 4.22Å; F669-L675 HydrophobicContact CG-CB 4.19Å; F669-L675 HydrophobicContact CG-CD1 4.4Å; T670-L675 PolarHBondContact O-N 3.48Å; T670-L675 VanDerWaalsContact O-N 3.12Å; N673-L675 WeakPolarHBondContact ND2-CD1 3.42Å; N673-L675 PolarHBondContact O-N 2.81Å; N673-L675 VanDerWaalsContact O-N 3.16Å; N673-L675 WeakPolarHBondContact OD1-CB 3.45Å; N673-L675 PolarHBondContact OD1-N 3.27Å; L675-A683 PolarHBondContact O-N 3.2Å; L675-N686 HydrophobicContact CD2-CB 4.48Å; L675-L687 HydrophobicContact CB-CD2 4.09Å; L675-L687 HydrophobicContact CB-CG 4.49Å; L675-L687 HydrophobicContact CD1-CD2 4.27Å; L675-L687 HydrophobicContact CD2-CD2 3.98Å; L675-L687 HydrophobicContact CD2-CG 4.26Å; L675-L687 HydrophobicContact CG-CD2 4.34Å; L675-H690 HydrophobicContact CD2-CB 4.21Å
676L87.1Confident85Confident9 Ų941 Ų415%0.04723%0.232CC..BIsolated β-bridgetrans-118.1153.6167.9-65.2177.7000111.7R348 F669 T670 V671 M680 K681 L682R348-L676 VanDerWaalsContact NH1-CD1 3.25Å; F669-L676 HydrophobicContact CB-CD1 4.46Å; F669-L676 HydrophobicContact CB-CD2 4.04Å; F669-L676 HydrophobicContact CB-CG 3.88Å; F669-L676 WeakPolarHBondContact O-CD1 3.46Å; T670-L676 PolarHBondContact O-N 2.81Å; V671-L676 HydrophobicContact CG2-CB 4.05Å; L676-M680 HydrophobicContact CD1-SD 4.29Å; L676-K681 CarbonylContact C-O 3.51Å; L676-K681 VanDerWaalsContact CA-O 3.23Å; L676-K681 WeakPolarHBondContact CA-O 3.46Å; L676-K681 WeakPolarHBondContact CD2-O 3.21Å; L676-L682 HydrophobicContact CD2-CD2 3.95Å
677T80.7Confident84.9Confident24 Ų2438.7 Ų38.715%0.14722%0.217CC..  trans-82161.2168.673.60000111.2T679 M680 K681 A683T677-T679 VanDerWaalsContact C-N 3.26Å; T677-T679 PolarHBondContact O-N 3.11Å; T677-T679 PolarHBondContact OG1-N 2.72Å; T677-T679 PolarHBondContact OG1-OG1 3.11Å; T677-T679 VanDerWaalsContact OG1-OG1 3.04Å; T677-M680 VanDerWaalsContact O-CA 3.3Å; T677-M680 WeakPolarHBondContact O-CA 3.26Å; T677-M680 PolarHBondContact O-N 3.01Å; T677-K681 HydrophobicContact CG2-CB 4.04Å; T677-K681 PolarHBondContact N-O 3.43Å; T677-K681 WeakPolarHBondContact OG1-CB 3.44Å; T677-K681 PolarHBondContact OG1-N 3.36Å; T677-A683 HydrophobicContact CG2-CB 4.48Å
678P69.6Low84.8Confident27 Ų2740 Ų4018%0.17522%0.22CC..THydrogen-bonded Turntrans-40.3-46.3164.5-39.740.9000116.4Y161 M680Y161-P678 HydrophobicContact CD1-CB 3.86Å; Y161-P678 HydrophobicContact CD1-CG 3.49Å; Y161-P678 VanDerWaalsContact CD1-CG 3.49Å; Y161-P678 HydrophobicContact CE1-CB 3.1Å; Y161-P678 HydrophobicContact CE1-CG 3.17Å; Y161-P678 HydrophobicContact CE2-CB 4.43Å; Y161-P678 VanDerWaalsContact CZ-CB 3.44Å; Y161-P678 WeakPolarHBondContact OH-CB 3.3Å; Y161-P678 PolarHBondContact OH-O 2.95Å; P678-M680 PolarHBondContact O-N 3.4Å
679T71.1Confident84.8Confident45 Ų4543.4 Ų43.428%0.27623%0.229SC..THydrogen-bonded Turntrans-80.31217850.80000112.8T677 K681T677-T679 VanDerWaalsContact C-N 3.26Å; T677-T679 PolarHBondContact O-N 3.11Å; T677-T679 PolarHBondContact OG1-N 2.72Å; T677-T679 PolarHBondContact OG1-OG1 3.11Å; T677-T679 VanDerWaalsContact OG1-OG1 3.04Å; T679-K681 VanDerWaalsContact C-N 3.29Å; T679-K681 PolarHBondContact O-N 3.41Å
680M76.6Confident84.9Confident66 Ų6647.9 Ų47.933%0.32525%0.25SC..SBendtrans66.923.2177.2-63-69.2-100.400114.8R348 V671 L676 T677 P678R348-M680 PolarHBondContact NE-O 3Å; R348-M680 VanDerWaalsContact NH1-CE 3.33Å; R348-M680 PolarHBondContact NH1-O 2.9Å; R348-M680 PolarHBondContact NH1-SD 2.92Å; R348-M680 VanDerWaalsContact NH1-SD 3.42Å; R348-M680 PolarHBondContact NH2-O 3.22Å; R348-M680 VanDerWaalsContact NH2-O 3.11Å; V671-M680 HydrophobicContact CG2-SD 4.23Å; L676-M680 HydrophobicContact CD1-SD 4.29Å; T677-M680 VanDerWaalsContact O-CA 3.3Å; T677-M680 WeakPolarHBondContact O-CA 3.26Å; T677-M680 PolarHBondContact O-N 3.01Å; P678-M680 PolarHBondContact O-N 3.4Å
681K82.1Confident85.2Confident46 Ų4646.2 Ų46.220%0.224%0.239CC..  trans-81.4164.9168.5-58.2-173.7177.3-1630111S416 L676 T677 T679S416-K681 WeakPolarHBondContact O-CE 3.29Å; S416-K681 PolarHBondContact O-NZ 3.14Å; L676-K681 CarbonylContact C-O 3.51Å; L676-K681 VanDerWaalsContact CA-O 3.23Å; L676-K681 WeakPolarHBondContact CA-O 3.46Å; L676-K681 WeakPolarHBondContact CD2-O 3.21Å; T677-K681 HydrophobicContact CG2-CB 4.04Å; T677-K681 PolarHBondContact N-O 3.43Å; T677-K681 WeakPolarHBondContact OG1-CB 3.44Å; T677-K681 PolarHBondContact OG1-N 3.36Å; T679-K681 VanDerWaalsContact C-N 3.29Å; T679-K681 PolarHBondContact O-N 3.41Å
682L86.4Confident85.9Confident35 Ų3547.1 Ų47.118%0.18325%0.249CC..BIsolated β-bridgetrans-69.7130.1169.3-64.4179.3000110.8E556 V568 F669 L676 R684 L687E556-L682 VanDerWaalsContact CD-CD1 3.41Å; E556-L682 HydrophobicContact CG-CD1 4.35Å; E556-L682 WeakPolarHBondContact OE1-CD1 3.38Å; E556-L682 VanDerWaalsContact OE2-CD1 3.25Å; E556-L682 WeakPolarHBondContact OE2-CD1 3.13Å; V568-L682 WeakPolarHBondContact O-CD1 3.49Å; F669-L682 HydrophobicContact CD2-CD2 3.71Å; F669-L682 HydrophobicContact CE2-CD2 4.12Å; L676-L682 HydrophobicContact CD2-CD2 3.95Å; L682-R684 HydrophobicContact CB-CG 4.18Å; L682-R684 PolarHBondContact O-N 3.05Å; L682-L687 HydrophobicContact CB-CD1 3.71Å; L682-L687 HydrophobicContact CD1-CD1 4.45Å; L682-L687 HydrophobicContact CD2-CD1 3.97Å; L682-L687 HydrophobicContact CG-CD1 4.25Å
683A85.3Confident86.5Confident16 Ų1645.8 Ų45.813%0.13224%0.242CC..  trans-80.770.1169.300000109.6G674 L675 T677 I685 N686 L687G674-A683 WeakPolarHBondContact O-CB 3.38Å; L675-A683 PolarHBondContact O-N 3.2Å; T677-A683 HydrophobicContact CG2-CB 4.48Å; A683-I685 PolarHBondContact O-N 3.4Å; A683-N686 HydrophobicContact CB-CB 4.14Å; A683-N686 WeakPolarHBondContact O-CB 3.47Å; A683-N686 PolarHBondContact O-N 3.09Å; A683-L687 PolarHBondContact O-N 3.22Å
684R87.9Confident86.8Confident12 Ų1244.4 Ų44.45%0.04524%0.236CC..Hα-helixtrans-50.1-36.5-167.7-80.2-175.5168.9153.4-3.5115.7D536 N540 P552 E553 E556 Y569 L682 L687 R688D536-R684 IonicContact OD1-NH1 3.75Å; D536-R684 PolarHBondContact OD1-NH1 3.44Å; D536-R684 IonicContact OD2-NH1 3.71Å; N540-R684 VanDerWaalsContact CG-CD 3.48Å; N540-R684 VanDerWaalsContact CG-NH1 3.27Å; N540-R684 PolarHBondContact ND2-NH1 3.43Å; N540-R684 WeakPolarHBondContact OD1-CD 3.46Å; P552-R684 VanDerWaalsContact CB-NH2 3.29Å; E553-R684 VanDerWaalsContact CA-NH2 3.3Å; E553-R684 VanDerWaalsContact CG-CZ 3.46Å; E553-R684 IonicContact OE1-NH1 3.63Å; E553-R684 PolarHBondContact OE1-NH1 2.89Å; E556-R684 VanDerWaalsContact CD-NH2 3.28Å; E556-R684 IonicContact OE1-NE 3.96Å; E556-R684 IonicContact OE1-NH2 3.63Å; E556-R684 PolarHBondContact OE1-NH2 3.29Å; E556-R684 IonicContact OE2-CZ 3.89Å; E556-R684 IonicContact OE2-NE 3.32Å; E556-R684 IonicContact OE2-NH2 3.43Å; E556-R684 PolarHBondContact OE2-NH2 3.32Å; Y569-R684 HydrophobicContact CD2-CG 4.39Å; Y569-R684 HydrophobicContact CE2-CB 4.5Å; Y569-R684 HydrophobicContact CE2-CG 4.17Å; L682-R684 HydrophobicContact CB-CG 4.18Å; L682-R684 PolarHBondContact O-N 3.05Å; R684-L687 PolarHBondContact O-N 2.8Å; R684-R688 VanDerWaalsContact O-CB 3.28Å; R684-R688 WeakPolarHBondContact O-CB 3.47Å; R684-R688 PolarHBondContact O-N 2.97Å
685I79.8Confident87.3Confident30 Ų3043.6 Ų43.615%0.15423%0.226CC..Hα-helixtrans-73-40.7179.5-71.7158.1000111.5S259 L260 A683 L687 R688 K689S259-I685 VanDerWaalsContact CB-CD1 3.46Å; S259-I685 WeakPolarHBondContact O-CB 2.97Å; S259-I685 WeakPolarHBondContact O-CD1 3.33Å; S259-I685 WeakPolarHBondContact O-CG2 3.49Å; L260-I685 HydrophobicContact CD2-CG2 3.54Å; L260-I685 HydrophobicContact CG-CD1 4.28Å; L260-I685 HydrophobicContact CG-CG2 4.27Å; A683-I685 PolarHBondContact O-N 3.4Å; I685-L687 VanDerWaalsContact C-N 3.31Å; I685-R688 PolarHBondContact O-N 3.17Å; I685-K689 HydrophobicContact CG2-CD 4.4Å; I685-K689 WeakPolarHBondContact O-CG 3.44Å; I685-K689 PolarHBondContact O-N 2.9Å
686N87.1Confident87.4Confident73 Ų7349.1 Ų49.139%0.3925%0.25SS..Hα-helixtrans-63.6-43.2173.7-67-5.1000109.6G674 L675 A683 R688 K689 H690G674-N686 WeakPolarHBondContact O-CB 3.46Å; G674-N686 PolarHBondContact O-ND2 3.05Å; L675-N686 HydrophobicContact CD2-CB 4.48Å; A683-N686 HydrophobicContact CB-CB 4.14Å; A683-N686 WeakPolarHBondContact O-CB 3.47Å; A683-N686 PolarHBondContact O-N 3.09Å; N686-R688 PolarHBondContact O-N 3.33Å; N686-K689 PolarHBondContact O-N 3.33Å; N686-H690 WeakPolarHBondContact O-CB 2.98Å; N686-H690 PolarHBondContact O-N 2.99Å
687L93.5Very high87.8Confident0 Ų052.7 Ų52.70%027%0.269CS..Hα-helixtrans-59.6-44.7173.2-72.5159.7000112.4Y569 F669 L675 L682 A683 R684 I685 H690 F691Y569-L687 HydrophobicContact CD1-CB 3.72Å; Y569-L687 HydrophobicContact CD1-CD2 4.39Å; Y569-L687 HydrophobicContact CD1-CG 4.44Å; Y569-L687 HydrophobicContact CD2-CB 4.35Å; Y569-L687 HydrophobicContact CD2-CD1 4.22Å; Y569-L687 HydrophobicContact CE1-CB 3.65Å; Y569-L687 HydrophobicContact CE2-CB 4.35Å; Y569-L687 HydrophobicContact CG-CB 4.06Å; Y569-L687 HydrophobicContact CG-CD1 4.07Å; Y569-L687 HydrophobicContact CG-CG 4.47Å; F669-L687 HydrophobicContact CD1-CD2 4.07Å; F669-L687 HydrophobicContact CD2-CD2 4.09Å; F669-L687 HydrophobicContact CE1-CD2 3.83Å; F669-L687 HydrophobicContact CE2-CD2 3.85Å; F669-L687 HydrophobicContact CG-CD2 4.21Å; F669-L687 HydrophobicContact CZ-CD2 3.72Å; L675-L687 HydrophobicContact CB-CD2 4.09Å; L675-L687 HydrophobicContact CB-CG 4.49Å; L675-L687 HydrophobicContact CD1-CD2 4.27Å; L675-L687 HydrophobicContact CD2-CD2 3.98Å; L675-L687 HydrophobicContact CD2-CG 4.26Å; L675-L687 HydrophobicContact CG-CD2 4.34Å; L682-L687 HydrophobicContact CB-CD1 3.71Å; L682-L687 HydrophobicContact CD1-CD1 4.45Å; L682-L687 HydrophobicContact CD2-CD1 3.97Å; L682-L687 HydrophobicContact CG-CD1 4.25Å; A683-L687 PolarHBondContact O-N 3.22Å; R684-L687 PolarHBondContact O-N 2.8Å; I685-L687 VanDerWaalsContact C-N 3.31Å; L687-H690 PolarHBondContact O-N 3.14Å; L687-F691 HydrophobicContact CD2-CD2 3.99Å; L687-F691 HydrophobicContact CD2-CE2 3.67Å; L687-F691 WeakPolarHBondContact O-CB 3.47Å; L687-F691 WeakPolarHBondContact O-CD2 3.45Å; L687-F691 PolarHBondContact O-N 3.44Å
688R90.9Very high88.4Confident86 Ų8651.7 Ų51.733%0.32526%0.263SS..Hα-helixtrans-61.1-44.7177.3-172.5178.1-70.6152.2-3.1111.8Y569 E571 R684 I685 N686 A692Y569-R688 WeakPolarHBondContact OH-CA 3.41Å; Y569-R688 VanDerWaalsContact OH-CB 3.3Å; Y569-R688 WeakPolarHBondContact OH-CB 3.49Å; Y569-R688 PolarHBondContact OH-N 2.72Å; E571-R688 IonicContact OE1-NH2 2.82Å; E571-R688 PolarHBondContact OE1-NH2 3.33Å; E571-R688 IonicContact OE2-CZ 3.16Å; E571-R688 VanDerWaalsContact OE2-CZ 3.27Å; E571-R688 IonicContact OE2-NE 3.85Å; E571-R688 PolarHBondContact OE2-NE 3.03Å; E571-R688 IonicContact OE2-NH2 2.81Å; E571-R688 PolarHBondContact OE2-NH2 3.32Å; R684-R688 VanDerWaalsContact O-CB 3.28Å; R684-R688 WeakPolarHBondContact O-CB 3.47Å; R684-R688 PolarHBondContact O-N 2.97Å; I685-R688 PolarHBondContact O-N 3.17Å; N686-R688 PolarHBondContact O-N 3.33Å; R688-A692 VanDerWaalsContact O-CA 3.27Å; R688-A692 WeakPolarHBondContact O-CA 3.39Å; R688-A692 WeakPolarHBondContact O-CB 3.09Å; R688-A692 PolarHBondContact O-N 2.68Å
689K90.8Very high89.5Confident130 Ų13050.6 Ų50.657%0.56526%0.255SS*.Hα-helixtrans-65.6-49.1176.5-73.3177.9-179.8-179.70111I685 N686 F691 A692I685-K689 HydrophobicContact CG2-CD 4.4Å; I685-K689 WeakPolarHBondContact O-CG 3.44Å; I685-K689 PolarHBondContact O-N 2.9Å; N686-K689 PolarHBondContact O-N 3.33Å; K689-F691 PolarHBondContact O-N 3.26Å; K689-A692 WeakPolarHBondContact O-CB 3.42Å; K689-A692 PolarHBondContact O-N 3.3Å
690H95.2Very high90.4Very high97 Ų9752.8 Ų52.845%0.44926%0.262SS..Hα-helixtrans-63.4-40.4-177.3-170.374.8000112.6E667 L675 N686 L687E667-H690 IonicContact OE1-CE1 3.93Å; E667-H690 IonicContact OE1-NE2 3.24Å; E667-H690 PolarHBondContact OE1-NE2 3.41Å; E667-H690 IonicContact OE2-CD2 3.44Å; E667-H690 IonicContact OE2-CE1 3.94Å; E667-H690 IonicContact OE2-NE2 2.78Å; E667-H690 PolarHBondContact OE2-NE2 3.27Å; L675-H690 HydrophobicContact CD2-CB 4.21Å; N686-H690 WeakPolarHBondContact O-CB 2.98Å; N686-H690 PolarHBondContact O-N 2.99Å; L687-H690 PolarHBondContact O-N 3.14Å
691F96.4Very high90.9Very high6 Ų653.3 Ų53.33%0.02626%0.264CS..THydrogen-bonded Turntrans-102.216.6-179.5-64.5-65.8000113.9Y569 V582 Y663 T665 F669 L687 K689 N693 T694 I695Y569-F691 HydrophobicContact CD1-CD2 4.43Å; V582-F691 HydrophobicContact CB-CD2 4.37Å; V582-F691 HydrophobicContact CB-CG 4.49Å; V582-F691 HydrophobicContact CG1-CD1 4.08Å; V582-F691 HydrophobicContact CG1-CD2 4.02Å; V582-F691 HydrophobicContact CG1-CE1 3.88Å; V582-F691 HydrophobicContact CG1-CE2 3.8Å; V582-F691 HydrophobicContact CG1-CG 4.16Å; V582-F691 HydrophobicContact CG1-CZ 3.74Å; V582-F691 HydrophobicContact CG2-CB 3.97Å; V582-F691 HydrophobicContact CG2-CD1 4.22Å; V582-F691 HydrophobicContact CG2-CD2 4.16Å; V582-F691 HydrophobicContact CG2-CG 3.86Å; Y663-F691 HydrophobicContact CE1-CE1 4.27Å; T665-F691 HydrophobicContact CG2-CZ 4.23Å; F669-F691 AromaticContact CE1-CE2 3.72Å; F669-F691 HydrophobicContact CE1-CE2 3.72Å; F669-F691 AromaticContact CE1-CZ 3.95Å; F669-F691 HydrophobicContact CE1-CZ 3.95Å; F669-F691 HydrophobicContact CZ-CE2 4.1Å; L687-F691 HydrophobicContact CD2-CD2 3.99Å; L687-F691 HydrophobicContact CD2-CE2 3.67Å; L687-F691 WeakPolarHBondContact O-CB 3.47Å; L687-F691 WeakPolarHBondContact O-CD2 3.45Å; L687-F691 PolarHBondContact O-N 3.44Å; K689-F691 PolarHBondContact O-N 3.26Å; F691-N693 PolarHBondContact O-N 3.06Å; F691-T694 WeakPolarHBondContact O-CB 3.44Å; F691-T694 PolarHBondContact O-N 2.6Å; F691-T694 VanDerWaalsContact O-N 3.11Å; F691-I695 HydrophobicContact CB-CD1 4.1Å; F691-I695 HydrophobicContact CB-CG1 4.38Å; F691-I695 WeakPolarHBondContact O-CG1 3.38Å; F691-I695 PolarHBondContact O-N 3.25Å
692A94.2Very high90.3Very high49 Ų4953.4 Ų53.441%0.40527%0.265SS..Hα-helixtrans-54.8-50.5-174.300000113.1R688 K689 T694 I695 K696R688-A692 VanDerWaalsContact O-CA 3.27Å; R688-A692 WeakPolarHBondContact O-CA 3.39Å; R688-A692 WeakPolarHBondContact O-CB 3.09Å; R688-A692 PolarHBondContact O-N 2.68Å; K689-A692 WeakPolarHBondContact O-CB 3.42Å; K689-A692 PolarHBondContact O-N 3.3Å; A692-T694 VanDerWaalsContact C-N 3.35Å; A692-I695 PolarHBondContact O-N 3.21Å; A692-K696 PolarHBondContact O-N 2.93Å
693N96.3Very high89Confident126 Ų12659.2 Ų59.267%0.67429%0.289SS*.Hα-helixtrans-66.1-39.1178.3-71.4-25000111.7F691 K696 N697F691-N693 PolarHBondContact O-N 3.06Å; N693-K696 PolarHBondContact O-N 2.96Å; N693-N697 PolarHBondContact O-N 2.89Å; N693-N697 PolarHBondContact O-OD1 3.49Å
694T96.3Very high87Confident29 Ų2964.2 Ų64.218%0.17832%0.322CS..Hα-helixtrans-60.7-48.2176.8-55.30000111.3Y663 F691 A692 K696 N697 L698Y663-T694 VanDerWaalsContact CB-CG2 3.47Å; Y663-T694 HydrophobicContact CD1-CG2 3.41Å; Y663-T694 VanDerWaalsContact CD1-CG2 3.41Å; Y663-T694 HydrophobicContact CD2-CG2 3.67Å; Y663-T694 HydrophobicContact CE1-CG2 3.97Å; Y663-T694 HydrophobicContact CE2-CG2 4.22Å; Y663-T694 HydrophobicContact CG-CG2 3.23Å; F691-T694 WeakPolarHBondContact O-CB 3.44Å; F691-T694 PolarHBondContact O-N 2.6Å; F691-T694 VanDerWaalsContact O-N 3.11Å; A692-T694 VanDerWaalsContact C-N 3.35Å; T694-K696 VanDerWaalsContact C-N 3.35Å; T694-K696 PolarHBondContact O-N 3.03Å; T694-N697 PolarHBondContact O-N 3.48Å; T694-L698 WeakPolarHBondContact O-CG 3.43Å; T694-L698 PolarHBondContact O-N 3.1Å
695I95.1Very high84.6Confident7 Ų770.9 Ų70.94%0.03637%0.368CS..Hα-helixtrans-62.1-44.4178.1-71159.2000110.4Y569 E571 V580 F691 A692 N697 L698 Y699Y569-I695 HydrophobicContact CE1-CD1 3.86Å; E571-I695 HydrophobicContact CB-CD1 4.11Å; E571-I695 HydrophobicContact CG-CD1 4.08Å; E571-I695 HydrophobicContact CG-CG2 4.19Å; V580-I695 HydrophobicContact CG2-CG2 4.05Å; F691-I695 HydrophobicContact CB-CD1 4.1Å; F691-I695 HydrophobicContact CB-CG1 4.38Å; F691-I695 WeakPolarHBondContact O-CG1 3.38Å; F691-I695 PolarHBondContact O-N 3.25Å; A692-I695 PolarHBondContact O-N 3.21Å; I695-N697 VanDerWaalsContact C-N 3.32Å; I695-N697 PolarHBondContact O-N 2.93Å; I695-L698 PolarHBondContact O-N 2.98Å; I695-Y699 HydrophobicContact CG2-CD2 3.86Å; I695-Y699 HydrophobicContact CG2-CE2 3.67Å; I695-Y699 VanDerWaalsContact O-CD2 3.23Å; I695-Y699 WeakPolarHBondContact O-CD2 3.3Å; I695-Y699 PolarHBondContact O-N 3.39Å
696K93.6Very high84.9Confident119 Ų11973 Ų7352%0.51738%0.379SS..Hα-helixtrans-55.5-48.1174.8-178-178.1170.9-174.60111.3A692 N693 T694 L698 Y699 E700A692-K696 PolarHBondContact O-N 2.93Å; N693-K696 PolarHBondContact O-N 2.96Å; T694-K696 VanDerWaalsContact C-N 3.35Å; T694-K696 PolarHBondContact O-N 3.03Å; K696-L698 PolarHBondContact O-N 2.95Å; K696-Y699 PolarHBondContact O-N 2.86Å; K696-E700 WeakPolarHBondContact CE-OE1 3.37Å; K696-E700 IonicContact NZ-OE1 2.83Å; K696-E700 WeakPolarHBondContact O-CG 3.49Å; K696-E700 PolarHBondContact O-N 3.16Å; K696-E700 VanDerWaalsContact O-N 3.15Å
697N94.3Very high84.7Confident84 Ų8472.9 Ų72.945%0.44938%0.378SS..Hα-helixtrans-62.9-42.2179-67.7-8.9000112.2N693 T694 I695 Y699 E700 E701N693-N697 PolarHBondContact O-N 2.89Å; N693-N697 PolarHBondContact O-OD1 3.49Å; T694-N697 PolarHBondContact O-N 3.48Å; I695-N697 VanDerWaalsContact C-N 3.32Å; I695-N697 PolarHBondContact O-N 2.93Å; N697-Y699 PolarHBondContact O-N 3.01Å; N697-E700 PolarHBondContact O-N 2.7Å; N697-E701 WeakPolarHBondContact O-CG 3.42Å; N697-E701 PolarHBondContact O-N 2.9Å
698L94.8Very high84.3Confident2 Ų277 Ų771%0.0140%0.399CS..Hα-helixtrans-57.5-36.3177-70175.3000112.5V580 N661 I662 T694 I695 K696V580-L698 HydrophobicContact CB-CB 4.13Å; V580-L698 HydrophobicContact CB-CD1 3.96Å; V580-L698 HydrophobicContact CG1-CB 3.96Å; V580-L698 HydrophobicContact CG2-CB 4.35Å; V580-L698 HydrophobicContact CG2-CD1 4.12Å; N661-L698 HydrophobicContact CB-CD2 4.42Å; N661-L698 PolarHBondContact ND2-O 2.94Å; I662-L698 VanDerWaalsContact C-CD2 3.46Å; I662-L698 WeakPolarHBondContact O-CD2 3.26Å; T694-L698 WeakPolarHBondContact O-CG 3.43Å; T694-L698 PolarHBondContact O-N 3.1Å; I695-L698 PolarHBondContact O-N 2.98Å; K696-L698 PolarHBondContact O-N 2.95Å
699Y91.5Very high83.9Confident5 Ų576.5 Ų76.52%0.0240%0.404CS..Hα-helixtrans-78.5-17.3176-81.4-59.1000114.8E571 G572 H573 K576 Y578 V580 I695 K696 N697E571-Y699 PolarHBondContact O-OH 3.07Å; E571-Y699 VanDerWaalsContact O-OH 3.04Å; G572-Y699 VanDerWaalsContact CA-OH 3.27Å; G572-Y699 WeakPolarHBondContact CA-OH 3.47Å; H573-Y699 AromaticContact CD2-CD2 3.81Å; H573-Y699 AromaticContact CD2-CE2 3.28Å; H573-Y699 WeakPolarHBondContact CD2-CE2 3.14Å; H573-Y699 AromaticContact CD2-CZ 3.89Å; H573-Y699 AromaticContact NE2-CE2 3.84Å; K576-Y699 HydrophobicContact CB-CD1 4.15Å; K576-Y699 HydrophobicContact CB-CE1 3.63Å; K576-Y699 HydrophobicContact CD-CD1 3.56Å; K576-Y699 HydrophobicContact CD-CE1 3.97Å; K576-Y699 HydrophobicContact CD-CG 4.16Å; K576-Y699 HydrophobicContact CG-CD1 3.62Å; K576-Y699 HydrophobicContact CG-CE1 3.49Å; K576-Y699 VanDerWaalsContact CG-CE1 3.49Å; K576-Y699 HydrophobicContact CG-CG 4.26Å; K576-Y699 PolarHBondContact NZ-O 3.09Å; Y578-Y699 HydrophobicContact CD2-CD1 4.31Å; Y578-Y699 AromaticContact CD2-CE1 3.91Å; Y578-Y699 HydrophobicContact CD2-CE1 3.91Å; Y578-Y699 AromaticContact CE2-CD1 3.52Å; Y578-Y699 HydrophobicContact CE2-CD1 3.52Å; Y578-Y699 AromaticContact CE2-CE1 3.58Å; Y578-Y699 HydrophobicContact CE2-CE1 3.58Å; Y578-Y699 WeakPolarHBondContact O-CE1 3.5Å; Y578-Y699 PolarHBondContact O-OH 2.94Å; V580-Y699 HydrophobicContact CG1-CD1 4.02Å; V580-Y699 HydrophobicContact CG1-CD2 4.48Å; V580-Y699 HydrophobicContact CG1-CE1 3.76Å; V580-Y699 HydrophobicContact CG1-CE2 4.24Å; V580-Y699 HydrophobicContact CG1-CG 4.36Å; V580-Y699 HydrophobicContact CG2-CD2 4.21Å; V580-Y699 HydrophobicContact CG2-CE2 3.59Å; I695-Y699 HydrophobicContact CG2-CD2 3.86Å; I695-Y699 HydrophobicContact CG2-CE2 3.67Å; I695-Y699 VanDerWaalsContact O-CD2 3.23Å; I695-Y699 WeakPolarHBondContact O-CD2 3.3Å; I695-Y699 PolarHBondContact O-N 3.39Å; K696-Y699 PolarHBondContact O-N 2.86Å; N697-Y699 PolarHBondContact O-N 3.01Å
700E90.2Very high83.4Confident90 Ų9073.1 Ų73.142%0.42139%0.394SS..Hα-helixtrans-90.9-36.4176.7-74.1176.5178.700111.5K696 N697 E702 K703K696-E700 WeakPolarHBondContact CE-OE1 3.37Å; K696-E700 IonicContact NZ-OE1 2.83Å; K696-E700 WeakPolarHBondContact O-CG 3.49Å; K696-E700 PolarHBondContact O-N 3.16Å; K696-E700 VanDerWaalsContact O-N 3.15Å; N697-E700 PolarHBondContact O-N 2.7Å; E700-E702 VanDerWaalsContact C-N 3.26Å; E700-E702 PolarHBondContact O-N 3.08Å; E700-K703 WeakPolarHBondContact O-CB 3.44Å; E700-K703 PolarHBondContact O-N 3.09Å
701E86.8Confident82.7Confident77 Ų7771.5 Ų71.536%0.3639%0.39SS..Hα-helixtrans-54-41.8174.7-75.5-179.8-166.600112.2R637 N661 N697 K703 C704R637-E701 IonicContact CZ-OE2 3.56Å; R637-E701 VanDerWaalsContact CZ-OE2 3.22Å; R637-E701 IonicContact NH1-OE1 2.8Å; R637-E701 PolarHBondContact NH1-OE1 3.01Å; R637-E701 IonicContact NH1-OE2 2.74Å; R637-E701 PolarHBondContact NH1-OE2 3.42Å; R637-E701 IonicContact NH2-OE2 3.43Å; R637-E701 PolarHBondContact NH2-OE2 3.49Å; N661-E701 PolarHBondContact ND2-OE2 2.75Å; N697-E701 WeakPolarHBondContact O-CG 3.42Å; N697-E701 PolarHBondContact O-N 2.9Å; E701-K703 VanDerWaalsContact C-N 3.28Å; E701-K703 PolarHBondContact O-N 3.06Å; E701-C704 PolarHBondContact O-N 3.12Å
702E70.3Confident81.7Confident49 Ų4976.2 Ų76.223%0.22942%0.416CS..THydrogen-bonded Turntrans-75.7-9.4178.9-72.7-75135.200113.8Y578 R660 N661 E700 C704Y578-E702 HydrophobicContact CE2-CG 4.38Å; Y578-E702 WeakPolarHBondContact OH-CB 3.49Å; R660-E702 HydrophobicContact CG-CG 4.21Å; R660-E702 WeakPolarHBondContact CG-OE2 3.49Å; R660-E702 IonicContact CZ-OE2 2.78Å; R660-E702 IonicContact NE-OE2 3.87Å; R660-E702 PolarHBondContact NE-OE2 3.34Å; R660-E702 IonicContact NH2-OE2 3.63Å; N661-E702 HydrophobicContact CB-CG 4.15Å; E700-E702 VanDerWaalsContact C-N 3.26Å; E700-E702 PolarHBondContact O-N 3.08Å; E702-C704 VanDerWaalsContact C-N 3.33Å
703K57.7Low80.7Confident157 Ų15778.3 Ų78.368%0.68342%0.417SS*.THydrogen-bonded Turntrans-80-19.7170-75.9-173.7174.4-177.50112.2E700 E701E700-K703 WeakPolarHBondContact O-CB 3.44Å; E700-K703 PolarHBondContact O-N 3.09Å; E701-K703 VanDerWaalsContact C-N 3.28Å; E701-K703 PolarHBondContact O-N 3.06Å
704C44.1Very low79.4Confident121 Ų12174.3 Ų74.382%0.81840%0.396SS*.  trans-99.6-9.8-175.4-71.70000113.9E701 E702E701-C704 PolarHBondContact O-N 3.12Å; E702-C704 VanDerWaalsContact C-N 3.33Å
705C38.2Very low77.9Confident152 Ų15278.5 Ų78.5100%1.02742%0.415SS*.  trans-95.80169.1-68.60000109.7

Retrieved 705 of 705 residues in 596.4 ms (Link to these results)

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