A0A087XEG3_POEFO Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XEG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 351 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
1L51.4Low50.3Low181 Ų181114.5 Ų114.595%0.94860%0.596SS**  0-54.10-98.195.1000112.6T3 F4 V5L1-T3 PolarHBondContact O-N 2.88Å; L1-F4 PolarHBondContact O-N 3.03Å; L1-V5 WeakPolarHBondContact O-CG2 3.26Å; L1-V5 PolarHBondContact O-N 3.15Å
2V47.9Very low50.4Low113 Ų113111.8 Ų111.869%0.68559%0.588SS**Hα-helixtrans-58.2-41.9-176.7-177.80000113.4F4 V5 L6V2-F4 PolarHBondContact O-N 3.46Å; V2-V5 PolarHBondContact O-N 3.45Å; V2-L6 HydrophobicContact CG1-CD1 4.04Å; V2-L6 VanDerWaalsContact O-CG 3.31Å; V2-L6 WeakPolarHBondContact O-CG 3.49Å; V2-L6 PolarHBondContact O-N 3.48Å
3T47.9Very low50.2Low111 Ų111110.8 Ų110.868%0.68158%0.583SS**Hα-helixtrans-66.5-33.1175.215.70000113.5L1 V7L1-T3 PolarHBondContact O-N 2.88Å; T3-V7 VanDerWaalsContact O-CG2 3.23Å; T3-V7 WeakPolarHBondContact O-CG2 2.88Å; T3-V7 PolarHBondContact O-N 3.26Å; T3-V7 VanDerWaalsContact O-N 3.11Å
4F46.4Very low49.9Very low161 Ų161109.8 Ų109.871%0.70658%0.577SS**Hα-helixtrans-73.1-40.4178.8-152.9-95000110.9L1 V2 V7 T8L1-F4 PolarHBondContact O-N 3.03Å; V2-F4 PolarHBondContact O-N 3.46Å; F4-V7 PolarHBondContact O-N 2.83Å; F4-T8 HydrophobicContact CD1-CG2 4.35Å; F4-T8 HydrophobicContact CE1-CG2 4.36Å; F4-T8 WeakPolarHBondContact O-CG2 3.35Å; F4-T8 PolarHBondContact O-N 3.3Å; F4-T8 PolarHBondContact O-OG1 3.15Å
5V52.7Low49.5Very low77 Ų77109.7 Ų109.747%0.46758%0.577SS.*Hα-helixtrans-63.9-43.6175.1176.20000111.2L1 V2 T8 Q9L1-V5 WeakPolarHBondContact O-CG2 3.26Å; L1-V5 PolarHBondContact O-N 3.15Å; V2-V5 PolarHBondContact O-N 3.45Å; V5-T8 WeakPolarHBondContact CA-OG1 3.06Å; V5-T8 PolarHBondContact O-N 3.25Å; V5-T8 PolarHBondContact O-OG1 3.06Å; V5-Q9 VanDerWaalsContact O-CB 3.27Å; V5-Q9 WeakPolarHBondContact O-CB 3.31Å; V5-Q9 PolarHBondContact O-N 3.45Å
6L47.6Very low49.2Very low106 Ų106109.5 Ų109.556%0.55558%0.576SS**Hα-helixtrans-64.1-40.9177.4-74166.8000112.3V2 Q9 Y10V2-L6 HydrophobicContact CG1-CD1 4.04Å; V2-L6 VanDerWaalsContact O-CG 3.31Å; V2-L6 WeakPolarHBondContact O-CG 3.49Å; V2-L6 PolarHBondContact O-N 3.48Å; L6-Q9 PolarHBondContact O-N 3.48Å; L6-Y10 WeakPolarHBondContact O-CB 3.28Å; L6-Y10 PolarHBondContact O-N 3.07Å
7V54.7Low48.7Very low84 Ų84112.8 Ų112.851%0.50959%0.587SS.*Hα-helixtrans-67.8-42.3176.8171.80000111.3T3 F4 Q9 Y10 I11T3-V7 VanDerWaalsContact O-CG2 3.23Å; T3-V7 WeakPolarHBondContact O-CG2 2.88Å; T3-V7 PolarHBondContact O-N 3.26Å; T3-V7 VanDerWaalsContact O-N 3.11Å; F4-V7 PolarHBondContact O-N 2.83Å; V7-Q9 VanDerWaalsContact C-N 3.32Å; V7-Q9 PolarHBondContact O-N 3.34Å; V7-Y10 PolarHBondContact O-N 3.06Å; V7-I11 HydrophobicContact CG1-CD1 3.74Å; V7-I11 HydrophobicContact CG1-CG1 4.39Å; V7-I11 WeakPolarHBondContact O-CB 3.3Å; V7-I11 VanDerWaalsContact O-CG1 3.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.44Å; V7-I11 PolarHBondContact O-N 3.48Å
8T52.6Low48.3Very low65 Ų65115.7 Ų115.740%0.39960%0.595SS.*Hα-helixtrans-64.7-36.317547.60000112.3F4 V5 I11 V12F4-T8 HydrophobicContact CD1-CG2 4.35Å; F4-T8 HydrophobicContact CE1-CG2 4.36Å; F4-T8 WeakPolarHBondContact O-CG2 3.35Å; F4-T8 PolarHBondContact O-N 3.3Å; F4-T8 PolarHBondContact O-OG1 3.15Å; V5-T8 WeakPolarHBondContact CA-OG1 3.06Å; V5-T8 PolarHBondContact O-N 3.25Å; V5-T8 PolarHBondContact O-OG1 3.06Å; T8-I11 PolarHBondContact O-N 3.05Å; T8-V12 WeakPolarHBondContact O-CB 3.31Å; T8-V12 WeakPolarHBondContact O-CG2 3.27Å; T8-V12 PolarHBondContact O-N 2.98Å
9Q50.8Low48Very low116 Ų116118.2 Ų118.254%0.54260%0.602SS.*Hα-helixtrans-73-34.1178.6-160.7153.27.600111.8V5 L6 V7 L13V5-Q9 VanDerWaalsContact O-CB 3.27Å; V5-Q9 WeakPolarHBondContact O-CB 3.31Å; V5-Q9 PolarHBondContact O-N 3.45Å; L6-Q9 PolarHBondContact O-N 3.48Å; V7-Q9 VanDerWaalsContact C-N 3.32Å; V7-Q9 PolarHBondContact O-N 3.34Å; Q9-L13 HydrophobicContact CG-CD1 4.49Å; Q9-L13 WeakPolarHBondContact O-CB 3.42Å; Q9-L13 WeakPolarHBondContact O-CD1 3.3Å; Q9-L13 VanDerWaalsContact O-CG 3.26Å; Q9-L13 WeakPolarHBondContact O-CG 3.36Å; Q9-L13 PolarHBondContact O-N 3.11Å
10Y48.6Very low48Very low160 Ų160115.8 Ų115.863%0.62760%0.595SS**Hα-helixtrans-70.8-38.2172.6-144.9-97.1000112.2L6 V7 L13 L14L6-Y10 WeakPolarHBondContact O-CB 3.28Å; L6-Y10 PolarHBondContact O-N 3.07Å; V7-Y10 PolarHBondContact O-N 3.06Å; Y10-L13 PolarHBondContact O-N 3.35Å; Y10-L14 HydrophobicContact CD1-CD1 3.59Å; Y10-L14 HydrophobicContact CD1-CG 4.28Å; Y10-L14 HydrophobicContact CE1-CD1 3.96Å; Y10-L14 HydrophobicContact CE1-CG 4.48Å; Y10-L14 VanDerWaalsContact O-CB 3.3Å; Y10-L14 WeakPolarHBondContact O-CB 3.16Å; Y10-L14 WeakPolarHBondContact O-CD1 3.34Å; Y10-L14 WeakPolarHBondContact O-CG 3.36Å; Y10-L14 PolarHBondContact O-N 2.87Å
11I52.2Low48.3Very low86 Ų86118.5 Ų118.544%0.44161%0.61SS.*Hα-helixtrans-67.6-40.2173.2-69.9169.8000110.6V7 T8 L14 N15V7-I11 HydrophobicContact CG1-CD1 3.74Å; V7-I11 HydrophobicContact CG1-CG1 4.39Å; V7-I11 WeakPolarHBondContact O-CB 3.3Å; V7-I11 VanDerWaalsContact O-CG1 3.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.44Å; V7-I11 PolarHBondContact O-N 3.48Å; T8-I11 PolarHBondContact O-N 3.05Å; I11-L14 PolarHBondContact O-N 3.4Å; I11-N15 VanDerWaalsContact CG2-ND2 3.3Å; I11-N15 WeakPolarHBondContact CG2-ND2 3.25Å; I11-N15 WeakPolarHBondContact O-CB 3.23Å; I11-N15 PolarHBondContact O-N 2.91Å; I11-N15 PolarHBondContact O-ND2 2.85Å
12V51.6Low49Very low82 Ų82113.2 Ų113.250%0.49759%0.585SS.*Hα-helixtrans-66.1-39.9174.5170.20000110.8T8 N15 L16T8-V12 WeakPolarHBondContact O-CB 3.31Å; T8-V12 WeakPolarHBondContact O-CG2 3.27Å; T8-V12 PolarHBondContact O-N 2.98Å; V12-N15 PolarHBondContact O-N 3.43Å; V12-L16 HydrophobicContact CG1-CD1 3.58Å; V12-L16 WeakPolarHBondContact O-CB 3.29Å; V12-L16 WeakPolarHBondContact O-CD1 3.48Å; V12-L16 PolarHBondContact O-N 3Å
13L48.4Very low50.8Low99 Ų99113.1 Ų113.152%0.51858%0.577SS.*Hα-helixtrans-65.8-41.8173.5-78.1161000112.6Q9 Y10 N15 L16 E17Q9-L13 HydrophobicContact CG-CD1 4.49Å; Q9-L13 WeakPolarHBondContact O-CB 3.42Å; Q9-L13 WeakPolarHBondContact O-CD1 3.3Å; Q9-L13 VanDerWaalsContact O-CG 3.26Å; Q9-L13 WeakPolarHBondContact O-CG 3.36Å; Q9-L13 PolarHBondContact O-N 3.11Å; Y10-L13 PolarHBondContact O-N 3.35Å; L13-N15 VanDerWaalsContact C-N 3.32Å; L13-N15 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 2.92Å; L13-E17 PolarHBondContact O-N 3.4Å
14L45.2Very low52.8Low96 Ų96114.8 Ų114.850%0.50358%0.575SS.*Hα-helixtrans-65.1-32.4173.3-81.9160.3000112.7Y10 I11Y10-L14 HydrophobicContact CD1-CD1 3.59Å; Y10-L14 HydrophobicContact CD1-CG 4.28Å; Y10-L14 HydrophobicContact CE1-CD1 3.96Å; Y10-L14 HydrophobicContact CE1-CG 4.48Å; Y10-L14 VanDerWaalsContact O-CB 3.3Å; Y10-L14 WeakPolarHBondContact O-CB 3.16Å; Y10-L14 WeakPolarHBondContact O-CD1 3.34Å; Y10-L14 WeakPolarHBondContact O-CG 3.36Å; Y10-L14 PolarHBondContact O-N 2.87Å; I11-L14 PolarHBondContact O-N 3.4Å
15N44.9Very low55.1Low108 Ų108107.4 Ų107.458%0.57854%0.543SS*.Hα-helixtrans-79.6-21.6173.4-77.9-69.3000113I11 V12 L13I11-N15 VanDerWaalsContact CG2-ND2 3.3Å; I11-N15 WeakPolarHBondContact CG2-ND2 3.25Å; I11-N15 WeakPolarHBondContact O-CB 3.23Å; I11-N15 PolarHBondContact O-N 2.91Å; I11-N15 PolarHBondContact O-ND2 2.85Å; V12-N15 PolarHBondContact O-N 3.43Å; L13-N15 VanDerWaalsContact C-N 3.32Å; L13-N15 PolarHBondContact O-N 3.44Å
16L44.2Very low57.1Low107 Ų107104.6 Ų104.656%0.5653%0.526SS*.Hα-helixtrans-81-26172.5-98.7112.3000112.7V12 L13 F18V12-L16 HydrophobicContact CG1-CD1 3.58Å; V12-L16 WeakPolarHBondContact O-CB 3.29Å; V12-L16 WeakPolarHBondContact O-CD1 3.48Å; V12-L16 PolarHBondContact O-N 3Å; L13-L16 PolarHBondContact O-N 2.92Å; L16-F18 PolarHBondContact O-N 2.87Å
17E40.4Very low59.5Low165 Ų16599.5 Ų99.577%0.77150%0.5SS*.THydrogen-bonded Turntrans-75-9.8172.6-74-173.5175.600113.5L13L13-E17 PolarHBondContact O-N 3.4Å
18F42.4Very low61.6Low165 Ų16596 Ų9672%0.72448%0.479SS*.THydrogen-bonded Turntrans-104.826.3175.2-129-88.3000113.4L16 C20L16-F18 PolarHBondContact O-N 2.87Å; F18-C20 PolarHBondContact O-N 3.47Å
19F42.3Very low63.8Low164 Ų16493.7 Ų93.772%0.71946%0.463SS*.  trans-74.886.8150.7-82.4-84.8000107.1L21F19-L21 PolarHBondContact O-N 2.74Å
20C47Very low66Low70 Ų7089.7 Ų89.747%0.47345%0.445SS..  trans-50.3109.3156.9-87.80000106.1F18 T22F18-C20 PolarHBondContact O-N 3.47Å; C20-T22 VanDerWaalsContact C-N 3.31Å; C20-T22 PolarHBondContact O-N 2.87Å
21L54.2Low68.4Low172 Ų17282.7 Ų82.790%0.90142%0.417SS*.  trans-56.3104.2166.3-76164.2000105.8F19 E23F19-L21 PolarHBondContact O-N 2.74Å; L21-E23 PolarHBondContact O-N 3.44Å
22T67.8Low70.5Confident71 Ų7179.4 Ų79.444%0.43640%0.401SS..  trans-64.6107.7175.4-46.90000106.6C20 K24 E127 T128C20-T22 VanDerWaalsContact C-N 3.31Å; C20-T22 PolarHBondContact O-N 2.87Å; T22-K24 PolarHBondContact O-N 3.25Å; T22-E127 HydrophobicContact CG2-CB 3.62Å; T22-E127 HydrophobicContact CG2-CG 3.72Å; T22-T128 WeakPolarHBondContact CG2-O 3.3Å
23E84.1Confident72.7Confident111 Ų11175.7 Ų75.752%0.51938%0.379SS..  trans-72.5115.4-178.3-163177.6179.800108.4L21 H25 T128L21-E23 PolarHBondContact O-N 3.44Å; E23-H25 WeakPolarHBondContact CG-NE2 3.43Å; E23-H25 IonicContact OE1-CE1 3.56Å; E23-H25 PolarHBondContact OE1-CE1 3.45Å; E23-H25 IonicContact OE1-NE2 3.47Å; E23-H25 IonicContact OE2-CE1 3.09Å; E23-H25 IonicContact OE2-NE2 2.82Å; E23-T128 PolarHBondContact O-N 2.73Å
24K91.3Very high75Confident145 Ų14572.3 Ų72.363%0.6336%0.36SS*.EExtended strand (participates in β ladder)trans-87.7132.7176.2-74.4-176.5170.5-169.70109.4T22 G126 E127T22-K24 PolarHBondContact O-N 3.25Å; K24-G126 WeakPolarHBondContact CA-O 3.29Å; K24-E127 WeakPolarHBondContact CE-OE1 3.41Å; K24-E127 HydrophobicContact CG-CG 3.73Å; K24-E127 IonicContact NZ-OE1 3.86Å; K24-E127 PolarHBondContact NZ-OE1 2.89Å
25H93.3Very high77.4Confident7 Ų769 Ų693%0.03235%0.345CS..EExtended strand (participates in β ladder)trans-124.2153.5175.3-60.3-76.9000111.1E23 D53 E125 G126 T128 M134 M196E23-H25 WeakPolarHBondContact CG-NE2 3.43Å; E23-H25 IonicContact OE1-CE1 3.56Å; E23-H25 PolarHBondContact OE1-CE1 3.45Å; E23-H25 IonicContact OE1-NE2 3.47Å; E23-H25 IonicContact OE2-CE1 3.09Å; E23-H25 IonicContact OE2-NE2 2.82Å; H25-D53 WeakPolarHBondContact CA-OD1 3.5Å; H25-D53 WeakPolarHBondContact CB-OD1 3.26Å; H25-D53 IonicContact CE1-OD2 2.67Å; H25-D53 IonicContact CG-OD1 3.3Å; H25-D53 IonicContact CG-OD2 2.76Å; H25-D53 IonicContact ND1-OD1 3.67Å; H25-D53 IonicContact ND1-OD2 3.63Å; H25-D53 PolarHBondContact ND1-OD2 3.34Å; H25-E125 WeakPolarHBondContact O-CA 3.47Å; H25-G126 PolarHBondContact N-O 2.74Å; H25-G126 PolarHBondContact O-N 2.91Å; H25-T128 PolarHBondContact CD2-OG1 2.78Å; H25-T128 VanDerWaalsContact CD2-OG1 3.3Å; H25-T128 PolarHBondContact NE2-OG1 3.34Å; H25-M134 HydrophobicContact CB-CE 4.25Å; H25-M134 HydrophobicContact CB-SD 4.46Å; H25-M196 VanDerWaalsContact C-SD 3.54Å; H25-M196 HydrophobicContact CB-CE 4.46Å; H25-M196 HydrophobicContact CB-CG 4.21Å; H25-M196 HydrophobicContact CB-SD 3.66Å
26S96.5Very high79.7Confident17 Ų1766.9 Ų66.912%0.11933%0.331CS..EExtended strand (participates in β ladder)trans-137.6132.217562.20000110.5L52 D53 C124 M196S26-L52 CarbonylContact O-C 3.56Å; S26-L52 WeakPolarHBondContact O-CA 3.27Å; S26-D53 PolarHBondContact N-OD1 3.12Å; S26-D53 PolarHBondContact O-N 3.49Å; S26-C124 WeakPolarHBondContact CA-O 3.29Å; S26-M196 VanDerWaalsContact C-SD 3.55Å
27L98.1Very high81.9Confident0 Ų065.4 Ų65.40%033%0.328CS..EExtended strand (participates in β ladder)trans-114.8115.6167.1176.762.2000108.5Y29 L51 I57 G123 C124 W195 M196 F199L27-Y29 HydrophobicContact CD1-CE2 4.19Å; L27-Y29 HydrophobicContact CD2-CE2 4.22Å; L27-Y29 HydrophobicContact CG-CE2 4.08Å; L27-L51 WeakPolarHBondContact CA-O 3.41Å; L27-I57 HydrophobicContact CD1-CD1 3.88Å; L27-G123 CarbonylContact O-C 3.59Å; L27-G123 WeakPolarHBondContact O-CA 3.22Å; L27-C124 PolarHBondContact N-O 3.4Å; L27-C124 PolarHBondContact O-N 3.36Å; L27-W195 HydrophobicContact CD2-CB 3.83Å; L27-M196 HydrophobicContact CB-CB 3.79Å; L27-M196 HydrophobicContact CB-CG 3.97Å; L27-M196 HydrophobicContact CB-SD 4.03Å; L27-M196 HydrophobicContact CD2-CB 4.12Å; L27-M196 PolarHBondContact N-SD 2.91Å; L27-M196 VanDerWaalsContact N-SD 3.41Å; L27-F199 HydrophobicContact CD1-CD2 4.1Å; L27-F199 HydrophobicContact CD1-CE2 4.3Å; L27-F199 HydrophobicContact CD2-CD2 4.11Å; L27-F199 HydrophobicContact CD2-CE2 4.13Å
28T97.9Very high84.1Confident10 Ų1059.7 Ų59.76%0.06130%0.304CS..EExtended strand (participates in β ladder)trans-130.8133.6-175.4-52.20000110.4I30 G50 L51 M121 M140T28-I30 HydrophobicContact CG2-CG1 4.14Å; T28-G50 CarbonylContact O-C 3.5Å; T28-L51 PolarHBondContact N-O 3.3Å; T28-L51 PolarHBondContact O-N 3.32Å; T28-M121 HydrophobicContact CG2-CG 3.45Å; T28-M121 VanDerWaalsContact CG2-CG 3.45Å; T28-M121 HydrophobicContact CG2-SD 4.06Å; T28-M140 HydrophobicContact CG2-SD 3.72Å
29Y98.1Very high86.2Confident17 Ų1758.8 Ų58.87%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-107.8130.6168.9-66.2-80.8000109.8L27 M49 R90 M121 H122L27-Y29 HydrophobicContact CD1-CE2 4.19Å; L27-Y29 HydrophobicContact CD2-CE2 4.22Å; L27-Y29 HydrophobicContact CG-CE2 4.08Å; Y29-M49 CarbonylContact C-O 3.6Å; Y29-M49 VanDerWaalsContact CA-O 3.3Å; Y29-M49 WeakPolarHBondContact CA-O 3.33Å; Y29-R90 VanDerWaalsContact CD1-NH2 3.3Å; Y29-M121 WeakPolarHBondContact O-CA 3.43Å; Y29-H122 PolarHBondContact N-O 2.91Å; Y29-H122 PolarHBondContact O-N 2.87Å
30I97.8Very high88.3Confident32 Ų3255.7 Ų55.716%0.16430%0.297CS..EExtended strand (participates in β ladder)trans-117.5127.8179-55.6176000108.2T28 A48 M49 L51 W120 M121T28-I30 HydrophobicContact CG2-CG1 4.14Å; I30-A48 CarbonylContact O-C 3.5Å; I30-A48 VanDerWaalsContact O-CA 3.27Å; I30-A48 WeakPolarHBondContact O-CA 3.47Å; I30-M49 HydrophobicContact CB-CG 4.06Å; I30-M49 PolarHBondContact N-O 2.8Å; I30-M49 PolarHBondContact O-N 2.92Å; I30-L51 HydrophobicContact CD1-CD1 3.69Å; I30-L51 HydrophobicContact CG1-CD1 4.46Å; I30-W120 WeakPolarHBondContact CA-O 3.07Å; I30-M121 HydrophobicContact CD1-CE 3.98Å; I30-M121 HydrophobicContact CG1-CE 4.19Å; I30-M121 HydrophobicContact CG1-CG 4.31Å
31Y98.3Very high90.1Very high12 Ų1258.5 Ų58.55%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-116.4134.9173.3-61.6-103.3000108.2F46 T47 A48 R90 K93 F97 Q119 W120 H122Y31-F46 HydrophobicContact CD1-CE2 4.15Å; Y31-F46 AromaticContact CD1-CZ 3.71Å; Y31-F46 HydrophobicContact CD1-CZ 3.71Å; Y31-F46 HydrophobicContact CE1-CZ 4.39Å; Y31-T47 WeakPolarHBondContact CA-O 3.41Å; Y31-A48 HydrophobicContact CD1-CB 3.46Å; Y31-A48 VanDerWaalsContact CD1-CB 3.46Å; Y31-A48 HydrophobicContact CE1-CB 3.63Å; Y31-A48 HydrophobicContact CG-CB 4.17Å; Y31-R90 PolarHBondContact OH-NE 3.25Å; Y31-K93 HydrophobicContact CD1-CB 4.28Å; Y31-K93 HydrophobicContact CE1-CB 4Å; Y31-K93 HydrophobicContact CE1-CG 4.11Å; Y31-F97 HydrophobicContact CD1-CE2 4.33Å; Y31-F97 HydrophobicContact CG-CE2 4.18Å; Y31-F97 HydrophobicContact CG-CZ 4.47Å; Y31-Q119 CarbonylContact O-C 3.58Å; Y31-Q119 WeakPolarHBondContact O-CA 3.28Å; Y31-W120 HydrophobicContact CD2-CD2 4.25Å; Y31-W120 AromaticContact CD2-CE3 3.64Å; Y31-W120 HydrophobicContact CD2-CE3 3.64Å; Y31-W120 HydrophobicContact CD2-CZ3 4.19Å; Y31-W120 AromaticContact CE2-CE3 3.94Å; Y31-W120 HydrophobicContact CE2-CE3 3.94Å; Y31-W120 HydrophobicContact CE2-CZ3 4.01Å; Y31-W120 HydrophobicContact CG-CE3 4.03Å; Y31-W120 PolarHBondContact N-O 3.32Å; Y31-W120 PolarHBondContact O-N 3.03Å; Y31-H122 AromaticContact CE2-CD2 3.84Å; Y31-H122 AromaticContact CE2-NE2 3.68Å
32T97.7Very high91.4Very high18 Ų1853.3 Ų53.311%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-134.3131.3178.2-60.90000108.6F34 F46 T47 I117 Q119T32-F34 HydrophobicContact CG2-CE2 4.18Å; T32-F34 HydrophobicContact CG2-CZ 4.46Å; T32-F46 CarbonylContact O-C 3.6Å; T32-F46 VanDerWaalsContact O-CA 3.32Å; T32-F46 WeakPolarHBondContact O-CA 3.47Å; T32-T47 PolarHBondContact N-O 3.4Å; T32-T47 PolarHBondContact O-N 3.17Å; T32-I117 HydrophobicContact CG2-CG2 3.85Å; T32-Q119 HydrophobicContact CG2-CG 4.07Å; T32-Q119 PolarHBondContact OG1-NE2 3.47Å
33A97.6Very high92.4Very high4 Ų453.6 Ų53.63%0.03330%0.301CS..EExtended strand (participates in β ladder)trans-130.1139173.100000111.2E45 F46 F97 I117 L118A33-E45 CarbonylContact C-O 3.45Å; A33-E45 VanDerWaalsContact CA-O 3.29Å; A33-E45 WeakPolarHBondContact CA-O 3.39Å; A33-F46 HydrophobicContact CB-CD2 4.05Å; A33-F97 HydrophobicContact CB-CB 3.68Å; A33-F97 HydrophobicContact CB-CD1 3.4Å; A33-F97 VanDerWaalsContact CB-CD1 3.4Å; A33-F97 HydrophobicContact CB-CE1 4.25Å; A33-F97 HydrophobicContact CB-CG 3.84Å; A33-I117 WeakPolarHBondContact O-CA 3.38Å; A33-L118 PolarHBondContact N-O 3.04Å; A33-L118 PolarHBondContact O-N 3.45Å
34F96.8Very high92.9Very high27 Ų2749.6 Ų49.612%0.11828%0.282CS..EExtended strand (participates in β ladder)trans-98.4146.6171.3-62.8-91000110.1T32 K36 V38 L43 H44 E45 T115 H116 I117T32-F34 HydrophobicContact CG2-CE2 4.18Å; T32-F34 HydrophobicContact CG2-CZ 4.46Å; F34-K36 WeakPolarHBondContact CB-O 3.49Å; F34-K36 PolarHBondContact O-N 2.64Å; F34-V38 HydrophobicContact CB-CG2 4.12Å; F34-V38 HydrophobicContact CD1-CG2 3.43Å; F34-V38 VanDerWaalsContact CD1-CG2 3.43Å; F34-V38 HydrophobicContact CD2-CG2 4.39Å; F34-V38 HydrophobicContact CE1-CG2 3.86Å; F34-V38 HydrophobicContact CG-CG2 3.73Å; F34-L43 HydrophobicContact CZ-CD1 4.33Å; F34-H44 WeakPolarHBondContact CD2-O 3.38Å; F34-H44 WeakPolarHBondContact CE2-O 3.34Å; F34-E45 PolarHBondContact N-O 2.8Å; F34-T115 HydrophobicContact CB-CG2 4.19Å; F34-T115 HydrophobicContact CD1-CG2 3.86Å; F34-H116 CarbonylContact C-O 3.57Å; F34-H116 WeakPolarHBondContact CA-O 3.32Å; F34-I117 HydrophobicContact CD1-CD1 3.95Å; F34-I117 HydrophobicContact CD1-CG1 3.66Å; F34-I117 HydrophobicContact CE1-CD1 3.48Å; F34-I117 VanDerWaalsContact CE1-CD1 3.48Å; F34-I117 HydrophobicContact CE1-CG1 3.74Å; F34-I117 HydrophobicContact CE1-CG2 4.5Å; F34-I117 HydrophobicContact CZ-CD1 4.4Å
35S95.3Very high93.1Very high26 Ų2645.9 Ų45.918%0.18227%0.267CS..SBendtrans-68.9-20177.564.10000113.1M105 H116S35-M105 WeakPolarHBondContact CB-SD 3.26Å; S35-H116 PolarHBondContact N-O 2.92Å; S35-H116 PolarHBondContact OG-N 2.88Å
36K92.4Very high93.3Very high65 Ų6545.7 Ų45.728%0.28327%0.266SS..SBendtrans-154.5160.1175.562-175.6176.6-1720111F34 V38 N112 T113 D114 T115F34-K36 WeakPolarHBondContact CB-O 3.49Å; F34-K36 PolarHBondContact O-N 2.64Å; K36-V38 PolarHBondContact O-N 2.64Å; K36-N112 PolarHBondContact NZ-O 2.87Å; K36-T113 VanDerWaalsContact NZ-C 3.26Å; K36-T113 PolarHBondContact NZ-O 3.36Å; K36-D114 VanDerWaalsContact CE-O 3.31Å; K36-D114 WeakPolarHBondContact CE-O 3.27Å; K36-D114 PolarHBondContact NZ-O 3.44Å; K36-T115 WeakPolarHBondContact CE-OG1 3.28Å; K36-T115 HydrophobicContact CG-CG2 4.22Å
37P90.3Very high93.3Very high76 Ų7645.7 Ų45.749%0.49427%0.265SS..  trans-57.3130175.3-2534.9000112
38V87.4Confident93.3Very high45 Ų4545.7 Ų45.727%0.27327%0.265SS..  trans-90.9-14.1-179.2-168.60000112F34 K36 L40 L43 T115F34-V38 HydrophobicContact CB-CG2 4.12Å; F34-V38 HydrophobicContact CD1-CG2 3.43Å; F34-V38 VanDerWaalsContact CD1-CG2 3.43Å; F34-V38 HydrophobicContact CD2-CG2 4.39Å; F34-V38 HydrophobicContact CE1-CG2 3.86Å; F34-V38 HydrophobicContact CG-CG2 3.73Å; K36-V38 PolarHBondContact O-N 2.64Å; V38-L40 HydrophobicContact CG1-CD1 3.78Å; V38-L40 HydrophobicContact CG1-CG 4.03Å; V38-L40 PolarHBondContact O-N 2.81Å; V38-L40 VanDerWaalsContact O-N 3.16Å; V38-L43 HydrophobicContact CG1-CD1 4.33Å; V38-T115 HydrophobicContact CG2-CG2 3.83Å
39N85.3Confident93.3Very high146 Ų14647.2 Ų47.278%0.78127%0.272SS*.  trans51.534.6177.8-59.7-30.5000114.1
40L86.9Confident93.2Very high98 Ų9846.4 Ų46.451%0.51327%0.269SS..  trans-107.2138.2173.9-70176000110V38 G42 L43V38-L40 HydrophobicContact CG1-CD1 3.78Å; V38-L40 HydrophobicContact CG1-CG 4.03Å; V38-L40 PolarHBondContact O-N 2.81Å; V38-L40 VanDerWaalsContact O-N 3.16Å; L40-G42 PolarHBondContact O-N 2.94Å; L40-L43 HydrophobicContact CB-CB 4.44Å; L40-L43 HydrophobicContact CB-CD1 4.04Å; L40-L43 HydrophobicContact CB-CG 4.3Å; L40-L43 HydrophobicContact CD1-CD1 4.02Å; L40-L43 PolarHBondContact O-N 3.44Å; L40-L43 VanDerWaalsContact O-N 3.08Å
41P85.8Confident93.1Very high130 Ų13046 Ų4684%0.84427%0.267SS*.THydrogen-bonded Turntrans-54.4126.4178.8-26.134.3000112.2L43P41-L43 VanDerWaalsContact C-N 3.33Å
42G80.4Confident92.9Very high62 Ų6246.1 Ų46.164%0.63927%0.269SS*.THydrogen-bonded Turntrans82.70.617900000115.6L40L40-G42 PolarHBondContact O-N 2.94Å
43L89.8Confident92.5Very high77 Ų7747.6 Ų47.640%0.40328%0.275SS..  trans-103.8125.9169.5-63.6-172.6000110.4F34 V38 L40 P41F34-L43 HydrophobicContact CZ-CD1 4.33Å; V38-L43 HydrophobicContact CG1-CD1 4.33Å; L40-L43 HydrophobicContact CB-CB 4.44Å; L40-L43 HydrophobicContact CB-CD1 4.04Å; L40-L43 HydrophobicContact CB-CG 4.3Å; L40-L43 HydrophobicContact CD1-CD1 4.02Å; L40-L43 PolarHBondContact O-N 3.44Å; L40-L43 VanDerWaalsContact O-N 3.08Å; P41-L43 VanDerWaalsContact C-N 3.33Å
44H93.8Very high91.9Very high28 Ų2853.6 Ų53.613%0.1331%0.307CS..  trans-110.9153.7177.1-52.4-76000110.1F34 F46 T47 Y59 D61 E63F34-H44 WeakPolarHBondContact CD2-O 3.38Å; F34-H44 WeakPolarHBondContact CE2-O 3.34Å; H44-F46 PolarHBondContact O-N 3.42Å; H44-T47 HydrophobicContact CB-CG2 3.89Å; H44-Y59 PolarHBondContact CD2-OH 3.1Å; H44-Y59 VanDerWaalsContact CD2-OH 3.25Å; H44-D61 HydrophobicContact CB-CB 4.12Å; H44-E63 IonicContact CE1-OE1 3.72Å; H44-E63 IonicContact CE1-OE2 3.99Å; H44-E63 IonicContact CG-OE1 2.81Å; H44-E63 IonicContact ND1-OE1 3.21Å; H44-E63 PolarHBondContact ND1-OE1 2.85Å; H44-E63 IonicContact ND1-OE2 3.69Å
45E95.1Very high91.3Very high66 Ų6655 Ų5531%0.30832%0.316SS..SBendtrans-55.2-37.6178.7-174.3-176.8145.700111.8A33 F34 S62A33-E45 CarbonylContact C-O 3.45Å; A33-E45 VanDerWaalsContact CA-O 3.29Å; A33-E45 WeakPolarHBondContact CA-O 3.39Å; F34-E45 PolarHBondContact N-O 2.8Å; E45-S62 PolarHBondContact N-OG 3.23Å
46F97.4Very high91Very high4 Ų456.8 Ų56.82%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-138.1138.4172.3173.6-93.1000111Y31 T32 A33 H44 A48 Y60 D61 S62 K93 Q94 F97Y31-F46 HydrophobicContact CD1-CE2 4.15Å; Y31-F46 AromaticContact CD1-CZ 3.71Å; Y31-F46 HydrophobicContact CD1-CZ 3.71Å; Y31-F46 HydrophobicContact CE1-CZ 4.39Å; T32-F46 CarbonylContact O-C 3.6Å; T32-F46 VanDerWaalsContact O-CA 3.32Å; T32-F46 WeakPolarHBondContact O-CA 3.47Å; A33-F46 HydrophobicContact CB-CD2 4.05Å; H44-F46 PolarHBondContact O-N 3.42Å; F46-A48 HydrophobicContact CE1-CB 4.14Å; F46-A48 HydrophobicContact CZ-CB 4.21Å; F46-Y60 AromaticContact CD1-CD1 3.89Å; F46-Y60 HydrophobicContact CD1-CD1 3.89Å; F46-Y60 AromaticContact CD1-CE1 3.66Å; F46-Y60 HydrophobicContact CD1-CE1 3.66Å; F46-Y60 AromaticContact CE1-CD1 3.68Å; F46-Y60 HydrophobicContact CE1-CD1 3.68Å; F46-Y60 AromaticContact CE1-CE1 3.61Å; F46-Y60 HydrophobicContact CE1-CE1 3.61Å; F46-D61 CarbonylContact O-C 3.53Å; F46-D61 WeakPolarHBondContact O-CA 3.5Å; F46-S62 PolarHBondContact N-OG 3.1Å; F46-S62 PolarHBondContact O-N 3.46Å; F46-K93 HydrophobicContact CZ-CB 4.21Å; F46-Q94 HydrophobicContact CB-CG 3.85Å; F46-Q94 HydrophobicContact CD1-CB 3.59Å; F46-Q94 HydrophobicContact CD1-CG 3.76Å; F46-Q94 HydrophobicContact CD2-CB 4.32Å; F46-Q94 HydrophobicContact CD2-CG 4.42Å; F46-Q94 HydrophobicContact CE1-CB 3.64Å; F46-Q94 HydrophobicContact CE1-CG 4.33Å; F46-Q94 HydrophobicContact CE2-CB 4.37Å; F46-Q94 HydrophobicContact CG-CB 3.91Å; F46-Q94 HydrophobicContact CG-CG 3.77Å; F46-Q94 HydrophobicContact CZ-CB 4.01Å; F46-F97 HydrophobicContact CD2-CB 4.16Å; F46-F97 HydrophobicContact CD2-CD2 4.29Å; F46-F97 HydrophobicContact CD2-CG 4.22Å; F46-F97 HydrophobicContact CE2-CB 4.19Å; F46-F97 AromaticContact CE2-CD2 3.55Å; F46-F97 HydrophobicContact CE2-CD2 3.55Å; F46-F97 HydrophobicContact CE2-CE2 4.02Å; F46-F97 AromaticContact CE2-CG 3.93Å; F46-F97 HydrophobicContact CE2-CG 3.93Å; F46-F97 HydrophobicContact CZ-CD2 4.48Å
47T97.6Very high91.1Very high17 Ų1753.8 Ų53.810%0.10431%0.309CS..EExtended strand (participates in β ladder)trans-134.8151.2172.4590000110.5Y31 T32 H44 Y60 D61Y31-T47 WeakPolarHBondContact CA-O 3.41Å; T32-T47 PolarHBondContact N-O 3.4Å; T32-T47 PolarHBondContact O-N 3.17Å; H44-T47 HydrophobicContact CB-CG2 3.89Å; T47-Y60 WeakPolarHBondContact CA-O 3.39Å; T47-D61 HydrophobicContact CG2-CB 4.37Å
48A98.2Very high91.4Very high0 Ų050.1 Ų50.10%029%0.286CS..EExtended strand (participates in β ladder)trans-143.9131.6170.900000110.5I30 Y31 F46 Y59 Y60 R90I30-A48 CarbonylContact O-C 3.5Å; I30-A48 VanDerWaalsContact O-CA 3.27Å; I30-A48 WeakPolarHBondContact O-CA 3.47Å; Y31-A48 HydrophobicContact CD1-CB 3.46Å; Y31-A48 VanDerWaalsContact CD1-CB 3.46Å; Y31-A48 HydrophobicContact CE1-CB 3.63Å; Y31-A48 HydrophobicContact CG-CB 4.17Å; F46-A48 HydrophobicContact CE1-CB 4.14Å; F46-A48 HydrophobicContact CZ-CB 4.21Å; A48-Y59 CarbonylContact O-C 3.58Å; A48-Y59 WeakPolarHBondContact O-CA 3.32Å; A48-Y60 PolarHBondContact N-O 3.22Å; A48-Y60 PolarHBondContact O-N 3.34Å; A48-R90 HydrophobicContact CB-CG 4.48Å; A48-R90 PolarHBondContact O-NH1 2.97Å; A48-R90 VanDerWaalsContact O-NH1 3.11Å
49M97.1Very high91.9Very high41 Ų4149.8 Ų49.820%0.20228%0.279CS..EExtended strand (participates in β ladder)trans-137.8143.9-177.163.2-172.973.600111.3Y29 I30 L51 M56 D58 Y59Y29-M49 CarbonylContact C-O 3.6Å; Y29-M49 VanDerWaalsContact CA-O 3.3Å; Y29-M49 WeakPolarHBondContact CA-O 3.33Å; I30-M49 HydrophobicContact CB-CG 4.06Å; I30-M49 PolarHBondContact N-O 2.8Å; I30-M49 PolarHBondContact O-N 2.92Å; M49-L51 HydrophobicContact SD-CD2 4.47Å; M49-M56 HydrophobicContact CB-CE 4.24Å; M49-M56 HydrophobicContact CB-CG 4.44Å; M49-M56 HydrophobicContact CE-CE 4.22Å; M49-M56 HydrophobicContact SD-CE 3.72Å; M49-D58 WeakPolarHBondContact CA-O 3.46Å; M49-Y59 HydrophobicContact CB-CD2 4.2Å; M49-Y59 HydrophobicContact CE-CE2 4.29Å
50G97.3Very high92.5Very high0 Ų042.8 Ų42.80%024%0.242CC..EExtended strand (participates in β ladder)trans-100.2138.1168.300000110.7T28 M56 I57 D58T28-G50 CarbonylContact O-C 3.5Å; G50-M56 CarbonylContact O-C 3.53Å; G50-M56 WeakPolarHBondContact O-CA 3.38Å; G50-I57 WeakPolarHBondContact O-CG1 3.33Å; G50-I57 PolarHBondContact O-N 3.14Å; G50-D58 PolarHBondContact N-O 2.96Å; G50-D58 VanDerWaalsContact N-O 3.17Å; G50-D58 PolarHBondContact N-OD1 3.5Å
51L94.7Very high93Very high25 Ų2538.8 Ų38.813%0.13122%0.221CC..EExtended strand (participates in β ladder)trans-122.7125.5178.2-55.7179.5000109.4L27 T28 I30 M49 N55 M56L27-L51 WeakPolarHBondContact CA-O 3.41Å; T28-L51 PolarHBondContact N-O 3.3Å; T28-L51 PolarHBondContact O-N 3.32Å; I30-L51 HydrophobicContact CD1-CD1 3.69Å; I30-L51 HydrophobicContact CG1-CD1 4.46Å; M49-L51 HydrophobicContact SD-CD2 4.47Å; L51-N55 CarbonylContact C-O 3.6Å; L51-N55 VanDerWaalsContact CA-O 3.28Å; L51-N55 WeakPolarHBondContact CA-O 3.02Å; L51-M56 HydrophobicContact CD2-CB 3.98Å; L51-M56 HydrophobicContact CD2-CG 4.42Å
52L94.2Very high93.5Very high14 Ų1433.4 Ų33.47%0.07319%0.187CC..EExtended strand (participates in β ladder)trans-108.4118.7165.6178.468.5000107.9S26 N54 N55 I57 W73 M196 F199S26-L52 CarbonylContact O-C 3.56Å; S26-L52 WeakPolarHBondContact O-CA 3.27Å; L52-N54 PolarHBondContact O-N 3.45Å; L52-N55 PolarHBondContact N-O 3.14Å; L52-N55 WeakPolarHBondContact O-CA 3.47Å; L52-N55 VanDerWaalsContact O-CB 3.29Å; L52-N55 WeakPolarHBondContact O-CB 3.21Å; L52-N55 PolarHBondContact O-N 3.36Å; L52-I57 HydrophobicContact CB-CD1 4.35Å; L52-I57 HydrophobicContact CB-CG2 3.63Å; L52-W73 HydrophobicContact CD2-CH2 4.4Å; L52-W73 HydrophobicContact CD2-CZ2 4.27Å; L52-M196 HydrophobicContact CD1-CG 3.92Å; L52-F199 HydrophobicContact CD2-CB 3.95Å
53D89.9Confident94.2Very high48 Ų4836.4 Ų36.426%0.25718%0.184SC..THydrogen-bonded Turntrans5144.9-177.4-55.3-23.4000112.4H25 S26 N55H25-D53 WeakPolarHBondContact CA-OD1 3.5Å; H25-D53 WeakPolarHBondContact CB-OD1 3.26Å; H25-D53 IonicContact CE1-OD2 2.67Å; H25-D53 IonicContact CG-OD1 3.3Å; H25-D53 IonicContact CG-OD2 2.76Å; H25-D53 IonicContact ND1-OD1 3.67Å; H25-D53 IonicContact ND1-OD2 3.63Å; H25-D53 PolarHBondContact ND1-OD2 3.34Å; S26-D53 PolarHBondContact N-OD1 3.12Å; S26-D53 PolarHBondContact O-N 3.49Å; D53-N55 PolarHBondContact O-N 2.88Å; D53-N55 PolarHBondContact O-ND2 2.9Å
54N84.4Confident94.4Very high131 Ų13138.9 Ų38.970%0.70119%0.193SC*.THydrogen-bonded Turntrans64.65.7-173.7-58-34.8000116L52L52-N54 PolarHBondContact O-N 3.45Å
55N83.7Confident94.6Very high55 Ų5541.1 Ų41.129%0.29420%0.204SC..EExtended strand (participates in β ladder)trans-94.2127.9174-65.9-66.2000111.1L51 L52 D53 I57L51-N55 CarbonylContact C-O 3.6Å; L51-N55 VanDerWaalsContact CA-O 3.28Å; L51-N55 WeakPolarHBondContact CA-O 3.02Å; L52-N55 PolarHBondContact N-O 3.14Å; L52-N55 WeakPolarHBondContact O-CA 3.47Å; L52-N55 VanDerWaalsContact O-CB 3.29Å; L52-N55 WeakPolarHBondContact O-CB 3.21Å; L52-N55 PolarHBondContact O-N 3.36Å; D53-N55 PolarHBondContact O-N 2.88Å; D53-N55 PolarHBondContact O-ND2 2.9Å; N55-I57 PolarHBondContact O-N 2.85Å
56M90.1Very high94.7Very high64 Ų6441.6 Ų41.632%0.31521%0.211SC..EExtended strand (participates in β ladder)trans-65.3122.2177.8-169.9-176.2-67.700111.6M49 G50 L51 D58 Y59 K70 Q71M49-M56 HydrophobicContact CB-CE 4.24Å; M49-M56 HydrophobicContact CB-CG 4.44Å; M49-M56 HydrophobicContact CE-CE 4.22Å; M49-M56 HydrophobicContact SD-CE 3.72Å; G50-M56 CarbonylContact O-C 3.53Å; G50-M56 WeakPolarHBondContact O-CA 3.38Å; L51-M56 HydrophobicContact CD2-CB 3.98Å; L51-M56 HydrophobicContact CD2-CG 4.42Å; M56-D58 WeakPolarHBondContact CG-O 3.46Å; M56-Y59 HydrophobicContact CE-CD2 4.34Å; M56-Y59 HydrophobicContact SD-CD2 4.01Å; M56-Y59 HydrophobicContact SD-CG 4.39Å; M56-K70 HydrophobicContact CG-CB 4.18Å; M56-K70 HydrophobicContact CG-CG 3.98Å; M56-K70 WeakPolarHBondContact O-CB 3.26Å; M56-K70 HydrophobicContact SD-CD 4.37Å; M56-K70 HydrophobicContact SD-CG 3.87Å; M56-Q71 PolarHBondContact O-NE2 3.33Å
57I94.4Very high94.7Very high2 Ų242 Ų421%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-106.3-29-179.462.1168.9000113.3L27 G50 L52 N55 K70 Q71 W73 M74 F199L27-I57 HydrophobicContact CD1-CD1 3.88Å; G50-I57 WeakPolarHBondContact O-CG1 3.33Å; G50-I57 PolarHBondContact O-N 3.14Å; L52-I57 HydrophobicContact CB-CD1 4.35Å; L52-I57 HydrophobicContact CB-CG2 3.63Å; N55-I57 PolarHBondContact O-N 2.85Å; I57-K70 PolarHBondContact O-N 3.34Å; I57-Q71 HydrophobicContact CB-CG 4.43Å; I57-Q71 HydrophobicContact CG2-CG 4.09Å; I57-W73 HydrophobicContact CB-CH2 4.37Å; I57-W73 HydrophobicContact CB-CZ2 4.35Å; I57-W73 HydrophobicContact CG2-CH2 4.04Å; I57-W73 HydrophobicContact CG2-CZ2 3.7Å; I57-M74 HydrophobicContact CB-CE 4.5Å; I57-M74 HydrophobicContact CB-CG 4.24Å; I57-M74 HydrophobicContact CB-SD 4.25Å; I57-M74 HydrophobicContact CD1-CE 4.4Å; I57-M74 HydrophobicContact CD1-SD 4.28Å; I57-F199 HydrophobicContact CD1-CD2 3.66Å; I57-F199 HydrophobicContact CD1-CE2 3.76Å; I57-F199 HydrophobicContact CD1-CG 4.43Å
58D96.7Very high94.7Very high0 Ų043.7 Ų43.70%022%0.223CC..EExtended strand (participates in β ladder)trans-146.9162.2172.770.262.5000111.8M49 G50 M56 K67 V68 M74 W83 R90M49-D58 WeakPolarHBondContact CA-O 3.46Å; G50-D58 PolarHBondContact N-O 2.96Å; G50-D58 VanDerWaalsContact N-O 3.17Å; G50-D58 PolarHBondContact N-OD1 3.5Å; M56-D58 WeakPolarHBondContact CG-O 3.46Å; D58-K67 HydrophobicContact CB-CG 4.32Å; D58-K67 WeakPolarHBondContact OD2-CE 3.36Å; D58-K67 IonicContact OD2-NZ 3.15Å; D58-K67 PolarHBondContact OD2-NZ 2.87Å; D58-V68 VanDerWaalsContact CA-O 3.29Å; D58-V68 WeakPolarHBondContact CA-O 3.17Å; D58-M74 HydrophobicContact CB-CE 4.36Å; D58-W83 HydrophobicContact CB-CZ3 4.13Å; D58-R90 IonicContact OD1-CZ 3.19Å; D58-R90 IonicContact OD1-NH1 2.85Å; D58-R90 PolarHBondContact OD1-NH1 3.27Å; D58-R90 VanDerWaalsContact OD1-NH1 3.09Å; D58-R90 IonicContact OD1-NH2 3.05Å; D58-R90 PolarHBondContact OD1-NH2 3.1Å; D58-R90 IonicContact OD2-NH2 3.46Å
59Y97.6Very high94.5Very high37 Ų3746 Ų4615%0.14524%0.238CC..EExtended strand (participates in β ladder)trans-148153.1-179.9-174.8-104.3000111.6H44 A48 M49 M56 D61 K67 V68H44-Y59 PolarHBondContact CD2-OH 3.1Å; H44-Y59 VanDerWaalsContact CD2-OH 3.25Å; A48-Y59 CarbonylContact O-C 3.58Å; A48-Y59 WeakPolarHBondContact O-CA 3.32Å; M49-Y59 HydrophobicContact CB-CD2 4.2Å; M49-Y59 HydrophobicContact CE-CE2 4.29Å; M56-Y59 HydrophobicContact CE-CD2 4.34Å; M56-Y59 HydrophobicContact SD-CD2 4.01Å; M56-Y59 HydrophobicContact SD-CG 4.39Å; Y59-D61 HydrophobicContact CE1-CB 3.8Å; Y59-D61 VanDerWaalsContact CE1-OD2 3.29Å; Y59-D61 WeakPolarHBondContact CE1-OD2 2.88Å; Y59-K67 CarbonylContact O-C 3.46Å; Y59-K67 WeakPolarHBondContact O-CA 3.45Å; Y59-V68 PolarHBondContact N-O 3.41Å; Y59-V68 PolarHBondContact O-N 2.9Å
60Y98.2Very high94.2Very high0 Ų047.7 Ų47.70%024%0.244CC..EExtended strand (participates in β ladder)trans-149.8141174.4175.3-80.4000108.6F46 T47 A48 Q65 R90 K91 Q94F46-Y60 AromaticContact CD1-CD1 3.89Å; F46-Y60 HydrophobicContact CD1-CD1 3.89Å; F46-Y60 AromaticContact CD1-CE1 3.66Å; F46-Y60 HydrophobicContact CD1-CE1 3.66Å; F46-Y60 AromaticContact CE1-CD1 3.68Å; F46-Y60 HydrophobicContact CE1-CD1 3.68Å; F46-Y60 AromaticContact CE1-CE1 3.61Å; F46-Y60 HydrophobicContact CE1-CE1 3.61Å; T47-Y60 WeakPolarHBondContact CA-O 3.39Å; A48-Y60 PolarHBondContact N-O 3.22Å; A48-Y60 PolarHBondContact O-N 3.34Å; Y60-Q65 VanDerWaalsContact CE2-CA 3.5Å; Y60-Q65 HydrophobicContact CE2-CB 4.31Å; Y60-Q65 WeakPolarHBondContact CE2-O 3.34Å; Y60-R90 HydrophobicContact CD1-CB 3.97Å; Y60-R90 HydrophobicContact CD2-CB 3.52Å; Y60-R90 HydrophobicContact CD2-CG 4.1Å; Y60-R90 HydrophobicContact CE1-CB 4.19Å; Y60-R90 HydrophobicContact CE2-CB 3.73Å; Y60-R90 HydrophobicContact CG-CB 3.65Å; Y60-R90 HydrophobicContact CG-CG 4.04Å; Y60-K91 HydrophobicContact CE2-CG 4.26Å; Y60-K91 VanDerWaalsContact OH-CG 3.26Å; Y60-K91 WeakPolarHBondContact OH-CG 3.32Å; Y60-Q94 PolarHBondContact OH-OE1 3.02Å
61D96.9Very high93.7Very high13 Ų1348.9 Ų48.97%0.0725%0.25CC..EExtended strand (participates in β ladder)trans-136.1161171.86578.3000112.1H44 F46 T47 Y59 E63 H64 Q65H44-D61 HydrophobicContact CB-CB 4.12Å; F46-D61 CarbonylContact O-C 3.53Å; F46-D61 WeakPolarHBondContact O-CA 3.5Å; T47-D61 HydrophobicContact CG2-CB 4.37Å; Y59-D61 HydrophobicContact CE1-CB 3.8Å; Y59-D61 VanDerWaalsContact CE1-OD2 3.29Å; Y59-D61 WeakPolarHBondContact CE1-OD2 2.88Å; D61-E63 PolarHBondContact O-N 2.94Å; D61-E63 WeakPolarHBondContact OD1-CA 3.42Å; D61-E63 WeakPolarHBondContact OD1-CB 3.38Å; D61-E63 PolarHBondContact OD1-N 3.37Å; D61-H64 IonicContact OD1-CG 2.88Å; D61-H64 PolarHBondContact OD1-N 3.08Å; D61-H64 IonicContact OD1-ND1 3.99Å; D61-H64 PolarHBondContact OD1-ND1 3.4Å; D61-H64 IonicContact OD2-CG 2.84Å; D61-H64 IonicContact OD2-ND1 3.53Å; D61-H64 PolarHBondContact OD2-ND1 2.65Å; D61-Q65 WeakPolarHBondContact O-CA 3.49Å; D61-Q65 PolarHBondContact O-N 3.14Å
62S96.1Very high93.2Very high17 Ų1752.8 Ų52.812%0.11927%0.271CS..THydrogen-bonded Turntrans-67.8-15.9-176.252.70000115E45 F46 Q65E45-S62 PolarHBondContact N-OG 3.23Å; F46-S62 PolarHBondContact N-OG 3.1Å; F46-S62 PolarHBondContact O-N 3.46Å; S62-Q65 WeakPolarHBondContact O-CG 3.44Å; S62-Q65 PolarHBondContact O-NE2 3.29Å
63E94.8Very high92.8Very high125 Ų12552.9 Ų52.958%0.58427%0.27SS*.THydrogen-bonded Turntrans-89.1-48.9180-68.6168.9-153.500111.3H44 D61H44-E63 IonicContact CE1-OE1 3.72Å; H44-E63 IonicContact CE1-OE2 3.99Å; H44-E63 IonicContact CG-OE1 2.81Å; H44-E63 IonicContact ND1-OE1 3.21Å; H44-E63 PolarHBondContact ND1-OE1 2.85Å; H44-E63 IonicContact ND1-OE2 3.69Å; D61-E63 PolarHBondContact O-N 2.94Å; D61-E63 WeakPolarHBondContact OD1-CA 3.42Å; D61-E63 WeakPolarHBondContact OD1-CB 3.38Å; D61-E63 PolarHBondContact OD1-N 3.37Å
64H94.9Very high92.9Very high130 Ų13050.6 Ų50.660%0.60226%0.258SS*.THydrogen-bonded Turntrans-92.7-10.6-176.3-58.986.5000113.1D61 V66D61-H64 IonicContact OD1-CG 2.88Å; D61-H64 PolarHBondContact OD1-N 3.08Å; D61-H64 IonicContact OD1-ND1 3.99Å; D61-H64 PolarHBondContact OD1-ND1 3.4Å; D61-H64 IonicContact OD2-CG 2.84Å; D61-H64 IonicContact OD2-ND1 3.53Å; D61-H64 PolarHBondContact OD2-ND1 2.65Å; H64-V66 WeakPolarHBondContact O-CB 3.48Å; H64-V66 VanDerWaalsContact O-CG2 3.31Å; H64-V66 WeakPolarHBondContact O-CG2 3.45Å; H64-V66 PolarHBondContact O-N 2.91Å
65Q97.1Very high93.1Very high75 Ų7547.1 Ų47.135%0.3525%0.247SC..  trans3932.1168-58.6-166-4.400117.2Y60 D61 S62 T87 K91Y60-Q65 VanDerWaalsContact CE2-CA 3.5Å; Y60-Q65 HydrophobicContact CE2-CB 4.31Å; Y60-Q65 WeakPolarHBondContact CE2-O 3.34Å; D61-Q65 WeakPolarHBondContact O-CA 3.49Å; D61-Q65 PolarHBondContact O-N 3.14Å; S62-Q65 WeakPolarHBondContact O-CG 3.44Å; S62-Q65 PolarHBondContact O-NE2 3.29Å; Q65-T87 WeakPolarHBondContact O-CG2 3.37Å; Q65-K91 WeakPolarHBondContact O-CE 3.41Å
66V97.9Very high93.4Very high76 Ų7651.4 Ų51.446%0.46126%0.263SS..SBendtrans-133.7131.7-179.91740000107.5H64 V68H64-V66 WeakPolarHBondContact O-CB 3.48Å; H64-V66 VanDerWaalsContact O-CG2 3.31Å; H64-V66 WeakPolarHBondContact O-CG2 3.45Å; H64-V66 PolarHBondContact O-N 2.91Å; V66-V68 HydrophobicContact CB-CG1 4.45Å; V66-V68 HydrophobicContact CG1-CG1 3.95Å; V66-V68 PolarHBondContact O-N 3.42Å
67K97.8Very high93.5Very high13 Ų1351 Ų516%0.05726%0.261CS..  trans-76.8115.7173.4-177.7-170.1174.6-171.30107.9D58 Y59 Y82 W83 T87D58-K67 HydrophobicContact CB-CG 4.32Å; D58-K67 WeakPolarHBondContact OD2-CE 3.36Å; D58-K67 IonicContact OD2-NZ 3.15Å; D58-K67 PolarHBondContact OD2-NZ 2.87Å; Y59-K67 CarbonylContact O-C 3.46Å; Y59-K67 WeakPolarHBondContact O-CA 3.45Å; K67-Y82 PolarHBondContact NZ-OH 2.93Å; K67-W83 HydrophobicContact CD-CE3 4.19Å; K67-W83 HydrophobicContact CD-CZ3 4.33Å; K67-W83 HydrophobicContact CG-CE3 4.13Å; K67-W83 HydrophobicContact CG-CZ3 4.18Å; K67-T87 WeakPolarHBondContact CB-OG1 3.48Å; K67-T87 PolarHBondContact N-OG1 2.93Å
68V96.2Very high93.5Very high52 Ų5251.5 Ų51.532%0.31526%0.263SS..EExtended strand (participates in β ladder)trans-113.2144.7-176.4-630000112D58 Y59 V66D58-V68 VanDerWaalsContact CA-O 3.29Å; D58-V68 WeakPolarHBondContact CA-O 3.17Å; Y59-V68 PolarHBondContact N-O 3.41Å; Y59-V68 PolarHBondContact O-N 2.9Å; V66-V68 HydrophobicContact CB-CG1 4.45Å; V66-V68 HydrophobicContact CG1-CG1 3.95Å; V66-V68 PolarHBondContact O-N 3.42Å
69P95.1Very high93.5Very high49 Ų4958.3 Ų58.332%0.31830%0.295SS..EExtended strand (participates in β ladder)trans-65145.4171.325.1-31.7000111M74 A75 W83P69-M74 HydrophobicContact CB-CB 3.99Å; P69-A75 HydrophobicContact CB-CB 4.12Å; P69-A75 HydrophobicContact CG-CB 3.9Å; P69-W83 VanDerWaalsContact CA-CH2 3.49Å; P69-W83 HydrophobicContact CB-CH2 3.46Å; P69-W83 VanDerWaalsContact CB-CH2 3.46Å; P69-W83 HydrophobicContact CB-CZ2 3.74Å; P69-W83 HydrophobicContact CB-CZ3 4.19Å; P69-W83 HydrophobicContact CG-CH2 4.16Å; P69-W83 HydrophobicContact CG-CZ2 4.22Å
70K91.1Very high93.4Very high75 Ų7560.7 Ų60.733%0.32632%0.315SS..SBendtrans-115.3-4171.4-65.6-65.9-178.3-177.20113.4M56 I57 K240M56-K70 HydrophobicContact CG-CB 4.18Å; M56-K70 HydrophobicContact CG-CG 3.98Å; M56-K70 WeakPolarHBondContact O-CB 3.26Å; M56-K70 HydrophobicContact SD-CD 4.37Å; M56-K70 HydrophobicContact SD-CG 3.87Å; I57-K70 PolarHBondContact O-N 3.34Å; K70-K240 PolarHBondContact O-NZ 2.88Å
71Q85.4Confident93.3Very high25 Ų2566.1 Ų66.112%0.11734%0.34CS..SBendtrans-126.7143.1172.9-55.9-64.1-20.300109.9M56 I57 W73 M74M56-Q71 PolarHBondContact O-NE2 3.33Å; I57-Q71 HydrophobicContact CB-CG 4.43Å; I57-Q71 HydrophobicContact CG2-CG 4.09Å; Q71-W73 VanDerWaalsContact C-N 3.31Å; Q71-W73 HydrophobicContact CB-CD2 4.3Å; Q71-W73 HydrophobicContact CB-CG 4.31Å; Q71-W73 HydrophobicContact CB-CZ2 4.19Å; Q71-W73 VanDerWaalsContact CB-NE1 3.34Å; Q71-W73 HydrophobicContact CG-CZ2 4.21Å; Q71-W73 PolarHBondContact O-N 3.34Å; Q71-M74 HydrophobicContact CB-CG 4.22Å; Q71-M74 WeakPolarHBondContact O-CB 3.19Å; Q71-M74 PolarHBondContact O-N 3.2Å
72D84.2Confident93.3Very high108 Ų10867.3 Ų67.358%0.57834%0.344SS*.Hα-helixtrans-65.1-35.5-175.2-58-29.1000112.2M74 A75 K76D72-M74 VanDerWaalsContact C-N 3.29Å; D72-M74 PolarHBondContact O-N 2.82Å; D72-A75 PolarHBondContact O-N 3.03Å; D72-K76 WeakPolarHBondContact O-CB 3.36Å; D72-K76 PolarHBondContact O-N 3.17Å
73W87.1Confident93.3Very high16 Ų1667.9 Ų67.96%0.06134%0.344CS..Hα-helixtrans-66.1-30.2177.960.1-100.5000112.5L52 I57 Q71 K76 H77 F199 F202L52-W73 HydrophobicContact CD2-CH2 4.4Å; L52-W73 HydrophobicContact CD2-CZ2 4.27Å; I57-W73 HydrophobicContact CB-CH2 4.37Å; I57-W73 HydrophobicContact CB-CZ2 4.35Å; I57-W73 HydrophobicContact CG2-CH2 4.04Å; I57-W73 HydrophobicContact CG2-CZ2 3.7Å; Q71-W73 VanDerWaalsContact C-N 3.31Å; Q71-W73 HydrophobicContact CB-CD2 4.3Å; Q71-W73 HydrophobicContact CB-CG 4.31Å; Q71-W73 HydrophobicContact CB-CZ2 4.19Å; Q71-W73 VanDerWaalsContact CB-NE1 3.34Å; Q71-W73 HydrophobicContact CG-CZ2 4.21Å; Q71-W73 PolarHBondContact O-N 3.34Å; W73-K76 PolarHBondContact O-N 2.89Å; W73-H77 WeakPolarHBondContact O-CB 3.01Å; W73-H77 PolarHBondContact O-CD2 3.47Å; W73-H77 VanDerWaalsContact O-CD2 3.29Å; W73-H77 PolarHBondContact O-N 3.42Å; W73-F199 HydrophobicContact CH2-CB 3.61Å; W73-F199 HydrophobicContact CH2-CD1 4.09Å; W73-F199 AromaticContact CH2-CG 3.9Å; W73-F199 HydrophobicContact CH2-CG 3.9Å; W73-F199 HydrophobicContact CZ3-CB 3.87Å; W73-F199 AromaticContact CZ3-CD1 3.71Å; W73-F199 HydrophobicContact CZ3-CD1 3.71Å; W73-F199 AromaticContact CZ3-CG 3.99Å; W73-F199 HydrophobicContact CZ3-CG 3.99Å; W73-F202 HydrophobicContact CD2-CB 4.07Å; W73-F202 HydrophobicContact CE3-CB 3.38Å; W73-F202 HydrophobicContact CE3-CD2 4.06Å; W73-F202 HydrophobicContact CE3-CG 4.24Å; W73-F202 HydrophobicContact CZ3-CB 3.94Å; W73-F202 HydrophobicContact CZ3-CD2 4.14Å
74M90.9Very high93.5Very high0 Ų066.9 Ų66.90%034%0.342CS..Hα-helixtrans-62.6-47.6174.5-73.2-81-68.400109.9I57 D58 P69 Q71 D72 K76 L78 Y82 W83 F199I57-M74 HydrophobicContact CB-CE 4.5Å; I57-M74 HydrophobicContact CB-CG 4.24Å; I57-M74 HydrophobicContact CB-SD 4.25Å; I57-M74 HydrophobicContact CD1-CE 4.4Å; I57-M74 HydrophobicContact CD1-SD 4.28Å; D58-M74 HydrophobicContact CB-CE 4.36Å; P69-M74 HydrophobicContact CB-CB 3.99Å; Q71-M74 HydrophobicContact CB-CG 4.22Å; Q71-M74 WeakPolarHBondContact O-CB 3.19Å; Q71-M74 PolarHBondContact O-N 3.2Å; D72-M74 VanDerWaalsContact C-N 3.29Å; D72-M74 PolarHBondContact O-N 2.82Å; M74-K76 VanDerWaalsContact C-N 3.28Å; M74-K76 PolarHBondContact O-N 3.06Å; M74-L78 HydrophobicContact CB-CD1 4.29Å; M74-L78 HydrophobicContact CE-CD1 3.54Å; M74-L78 VanDerWaalsContact O-CB 3.27Å; M74-L78 WeakPolarHBondContact O-CB 3.24Å; M74-L78 WeakPolarHBondContact O-CG 3.32Å; M74-L78 PolarHBondContact O-N 2.88Å; M74-L78 HydrophobicContact SD-CD1 3.55Å; M74-L78 VanDerWaalsContact SD-CD1 3.55Å; M74-Y82 HydrophobicContact CE-CE1 4.04Å; M74-W83 HydrophobicContact CB-CH2 3.91Å; M74-W83 HydrophobicContact CB-CZ2 3.85Å; M74-W83 HydrophobicContact CE-CH2 3.43Å; M74-W83 VanDerWaalsContact CE-CH2 3.43Å; M74-W83 HydrophobicContact CE-CZ2 4.06Å; M74-W83 HydrophobicContact CE-CZ3 4.23Å; M74-F199 HydrophobicContact CE-CE1 4.43Å; M74-F199 HydrophobicContact CE-CZ 4.39Å; M74-F199 HydrophobicContact SD-CD1 4.01Å; M74-F199 HydrophobicContact SD-CE1 3.88Å; M74-F199 HydrophobicContact SD-CZ 4.29Å
75A88.9Confident93.6Very high57 Ų5767 Ų6747%0.47134%0.341SS..Hα-helixtrans-65.2-33.6179.500000112.3P69 D72P69-A75 HydrophobicContact CB-CB 4.12Å; P69-A75 HydrophobicContact CG-CB 3.9Å; D72-A75 PolarHBondContact O-N 3.03Å
76K90.1Very high93.6Very high146 Ų14664 Ų6464%0.63533%0.33SS*.Hα-helixtrans-78.5-37.8-177.7-173.2-172.8172-153.60113.8D72 W73 M74D72-K76 WeakPolarHBondContact O-CB 3.36Å; D72-K76 PolarHBondContact O-N 3.17Å; W73-K76 PolarHBondContact O-N 2.89Å; M74-K76 VanDerWaalsContact C-N 3.28Å; M74-K76 PolarHBondContact O-N 3.06Å
77H92.1Very high93.6Very high56 Ų5661 Ų6126%0.25931%0.312SS..Hα-helixtrans-101-10.7-171-72.8-98.2000114.4W73 F202 D205W73-H77 WeakPolarHBondContact O-CB 3.01Å; W73-H77 PolarHBondContact O-CD2 3.47Å; W73-H77 VanDerWaalsContact O-CD2 3.29Å; W73-H77 PolarHBondContact O-N 3.42Å; H77-F202 HydrophobicContact CB-CB 4.48Å; H77-F202 HydrophobicContact CB-CD1 4.02Å; H77-F202 HydrophobicContact CB-CD2 3.56Å; H77-F202 HydrophobicContact CB-CE1 4.02Å; H77-F202 HydrophobicContact CB-CE2 3.55Å; H77-F202 HydrophobicContact CB-CG 3.79Å; H77-F202 HydrophobicContact CB-CZ 3.76Å; H77-F202 AromaticContact CG-CD1 3.82Å; H77-F202 AromaticContact CG-CG 3.83Å; H77-F202 AromaticContact ND1-CD1 3.57Å; H77-F202 AromaticContact ND1-CE1 3.71Å; H77-D205 IonicContact CE1-OD2 3.82Å; H77-D205 IonicContact NE2-OD2 3.42Å
78L94.8Very high93.6Very high12 Ų1266 Ų666%0.06334%0.336CS..SBendtrans-110.7126.2-177.1-60.6169.8000111.1M74 Y82 W83 W195 F199 F202M74-L78 HydrophobicContact CB-CD1 4.29Å; M74-L78 HydrophobicContact CE-CD1 3.54Å; M74-L78 VanDerWaalsContact O-CB 3.27Å; M74-L78 WeakPolarHBondContact O-CB 3.24Å; M74-L78 WeakPolarHBondContact O-CG 3.32Å; M74-L78 PolarHBondContact O-N 2.88Å; M74-L78 HydrophobicContact SD-CD1 3.55Å; M74-L78 VanDerWaalsContact SD-CD1 3.55Å; L78-Y82 HydrophobicContact CB-CD1 3.9Å; L78-Y82 HydrophobicContact CB-CE1 4.5Å; L78-Y82 HydrophobicContact CB-CG 4.24Å; L78-Y82 HydrophobicContact CD1-CD1 3.71Å; L78-Y82 HydrophobicContact CD1-CE1 3.44Å; L78-Y82 VanDerWaalsContact CD1-CE1 3.44Å; L78-Y82 HydrophobicContact CD1-CG 4.35Å; L78-Y82 HydrophobicContact CD2-CG 4.41Å; L78-Y82 HydrophobicContact CG-CD1 4.26Å; L78-Y82 HydrophobicContact CG-CE1 4.44Å; L78-W83 HydrophobicContact CB-CZ2 4.31Å; L78-W83 HydrophobicContact CD1-CZ2 3.98Å; L78-W83 PolarHBondContact O-NE1 2.84Å; L78-W195 HydrophobicContact CD2-CZ3 4.04Å; L78-F199 HydrophobicContact CD1-CE1 3.91Å; L78-F199 HydrophobicContact CD2-CE1 4.28Å; L78-F202 HydrophobicContact CD2-CE2 3.91Å; L78-F202 HydrophobicContact CG-CE2 4.42Å
79E95.6Very high93.7Very high142 Ų14266.3 Ų66.366%0.66434%0.34SS*.  trans-61.9153.2179-63.3-59.2147.500112.5E81 Y82E79-E81 PolarHBondContact O-N 2.71Å; E79-E81 VanDerWaalsContact O-N 3.1Å; E79-Y82 WeakPolarHBondContact O-CB 3.19Å; E79-Y82 PolarHBondContact O-N 3.01Å
80P95.8Very high93.8Very high87 Ų8764.3 Ų64.357%0.56533%0.326SS*.Hα-helixtrans-49.8-38.3176.9-2935.9000113.9Y82 W83 D84P80-Y82 VanDerWaalsContact C-N 3.27Å; P80-Y82 PolarHBondContact O-N 3.36Å; P80-W83 WeakPolarHBondContact O-CB 3.24Å; P80-W83 PolarHBondContact O-N 3.48Å; P80-D84 PolarHBondContact O-N 2.85Å
81E96.9Very high94.2Very high114 Ų11464.4 Ų64.453%0.53333%0.327SS..Hα-helixtrans-60-33.3-179.6-168.1-174.417100113.3E79 W83 D84 K85E79-E81 PolarHBondContact O-N 2.71Å; E79-E81 VanDerWaalsContact O-N 3.1Å; E81-W83 VanDerWaalsContact C-N 3.31Å; E81-W83 PolarHBondContact O-N 3.07Å; E81-D84 PolarHBondContact O-N 3.39Å; E81-K85 HydrophobicContact CG-CD 4.09Å; E81-K85 HydrophobicContact CG-CG 4.41Å; E81-K85 WeakPolarHBondContact O-CB 3.49Å; E81-K85 WeakPolarHBondContact O-CG 3.41Å; E81-K85 PolarHBondContact O-N 2.83Å; E81-K85 WeakPolarHBondContact OE1-CE 3.02Å; E81-K85 IonicContact OE1-NZ 3.26Å; E81-K85 PolarHBondContact OE1-NZ 2.83Å
82Y96.4Very high94.7Very high39 Ų3967.2 Ų67.215%0.15335%0.349CS..Hα-helixtrans-62.5-40.5174.9168-92.2000111.3K67 M74 L78 E79 P80 G86 W195 F199K67-Y82 PolarHBondContact NZ-OH 2.93Å; M74-Y82 HydrophobicContact CE-CE1 4.04Å; L78-Y82 HydrophobicContact CB-CD1 3.9Å; L78-Y82 HydrophobicContact CB-CE1 4.5Å; L78-Y82 HydrophobicContact CB-CG 4.24Å; L78-Y82 HydrophobicContact CD1-CD1 3.71Å; L78-Y82 HydrophobicContact CD1-CE1 3.44Å; L78-Y82 VanDerWaalsContact CD1-CE1 3.44Å; L78-Y82 HydrophobicContact CD1-CG 4.35Å; L78-Y82 HydrophobicContact CD2-CG 4.41Å; L78-Y82 HydrophobicContact CG-CD1 4.26Å; L78-Y82 HydrophobicContact CG-CE1 4.44Å; E79-Y82 WeakPolarHBondContact O-CB 3.19Å; E79-Y82 PolarHBondContact O-N 3.01Å; P80-Y82 VanDerWaalsContact C-N 3.27Å; P80-Y82 PolarHBondContact O-N 3.36Å; Y82-G86 PolarHBondContact O-N 2.89Å; Y82-W195 AromaticContact CD2-CH2 3.59Å; Y82-W195 HydrophobicContact CD2-CH2 3.59Å; Y82-W195 HydrophobicContact CD2-CZ2 4.22Å; Y82-W195 HydrophobicContact CD2-CZ3 4.17Å; Y82-W195 AromaticContact CE2-CH2 3.58Å; Y82-W195 HydrophobicContact CE2-CH2 3.58Å; Y82-W195 HydrophobicContact CE2-CZ2 4.1Å; Y82-W195 AromaticContact CE2-CZ3 3.83Å; Y82-W195 HydrophobicContact CE2-CZ3 3.83Å; Y82-F199 HydrophobicContact CE2-CZ 4.45Å; Y82-F199 WeakPolarHBondContact OH-CZ 3.24Å
83W97.4Very high95.4Very high29 Ų2964.9 Ų64.911%0.1133%0.334CS..Hα-helixtrans-72.7-39.3179.9-61.3106.3000111.9D58 K67 P69 M74 L78 P80 E81 G86 T87D58-W83 HydrophobicContact CB-CZ3 4.13Å; K67-W83 HydrophobicContact CD-CE3 4.19Å; K67-W83 HydrophobicContact CD-CZ3 4.33Å; K67-W83 HydrophobicContact CG-CE3 4.13Å; K67-W83 HydrophobicContact CG-CZ3 4.18Å; P69-W83 VanDerWaalsContact CA-CH2 3.49Å; P69-W83 HydrophobicContact CB-CH2 3.46Å; P69-W83 VanDerWaalsContact CB-CH2 3.46Å; P69-W83 HydrophobicContact CB-CZ2 3.74Å; P69-W83 HydrophobicContact CB-CZ3 4.19Å; P69-W83 HydrophobicContact CG-CH2 4.16Å; P69-W83 HydrophobicContact CG-CZ2 4.22Å; M74-W83 HydrophobicContact CB-CH2 3.91Å; M74-W83 HydrophobicContact CB-CZ2 3.85Å; M74-W83 HydrophobicContact CE-CH2 3.43Å; M74-W83 VanDerWaalsContact CE-CH2 3.43Å; M74-W83 HydrophobicContact CE-CZ2 4.06Å; M74-W83 HydrophobicContact CE-CZ3 4.23Å; L78-W83 HydrophobicContact CB-CZ2 4.31Å; L78-W83 HydrophobicContact CD1-CZ2 3.98Å; L78-W83 PolarHBondContact O-NE1 2.84Å; P80-W83 WeakPolarHBondContact O-CB 3.24Å; P80-W83 PolarHBondContact O-N 3.48Å; E81-W83 VanDerWaalsContact C-N 3.31Å; E81-W83 PolarHBondContact O-N 3.07Å; W83-G86 PolarHBondContact O-N 3.33Å; W83-T87 WeakPolarHBondContact O-CB 3.43Å; W83-T87 PolarHBondContact O-N 3.26Å; W83-T87 PolarHBondContact O-OG1 3.22Å
84D97.6Very high95.9Very high104 Ų10465.7 Ų65.756%0.55634%0.338SS*.Hα-helixtrans-65.6-51.7177.1-70.3-26.2000111.5P80 E81 G86 T87 Q88P80-D84 PolarHBondContact O-N 2.85Å; E81-D84 PolarHBondContact O-N 3.39Å; D84-G86 VanDerWaalsContact C-N 3.3Å; D84-G86 PolarHBondContact O-N 3.03Å; D84-T87 PolarHBondContact O-N 2.89Å; D84-T87 VanDerWaalsContact O-N 3.15Å; D84-Q88 WeakPolarHBondContact O-CG 3.43Å; D84-Q88 PolarHBondContact O-N 2.9Å
85K97.3Very high96.2Very high132 Ų13271 Ų7157%0.57436%0.363SS*.Hα-helixtrans-59.1-43175.5-76177.1168.4168.80111.3E81 T87 Q88 S89E81-K85 HydrophobicContact CG-CD 4.09Å; E81-K85 HydrophobicContact CG-CG 4.41Å; E81-K85 WeakPolarHBondContact O-CB 3.49Å; E81-K85 WeakPolarHBondContact O-CG 3.41Å; E81-K85 PolarHBondContact O-N 2.83Å; E81-K85 WeakPolarHBondContact OE1-CE 3.02Å; E81-K85 IonicContact OE1-NZ 3.26Å; E81-K85 PolarHBondContact OE1-NZ 2.83Å; K85-T87 PolarHBondContact O-N 2.84Å; K85-Q88 PolarHBondContact O-N 2.67Å; K85-S89 WeakPolarHBondContact O-CB 3.41Å; K85-S89 PolarHBondContact O-N 2.91Å
86G97.2Very high96.6Very high12 Ų1272 Ų7212%0.12436%0.355CS..Hα-helixtrans-59.6-44.3175.200000112.4Y82 W83 D84 S89 R90Y82-G86 PolarHBondContact O-N 2.89Å; W83-G86 PolarHBondContact O-N 3.33Å; D84-G86 VanDerWaalsContact C-N 3.3Å; D84-G86 PolarHBondContact O-N 3.03Å; G86-S89 WeakPolarHBondContact O-CB 3.46Å; G86-S89 PolarHBondContact O-N 2.96Å; G86-R90 WeakPolarHBondContact O-CG 3.43Å; G86-R90 PolarHBondContact O-N 3.11Å
87T98.4Very high96.9Very high12 Ų1265 Ų657%0.07433%0.325CS..Hα-helixtrans-63-44.9178.5-65.10000111.7Q65 K67 W83 D84 K85 S89 R90 K91Q65-T87 WeakPolarHBondContact O-CG2 3.37Å; K67-T87 WeakPolarHBondContact CB-OG1 3.48Å; K67-T87 PolarHBondContact N-OG1 2.93Å; W83-T87 WeakPolarHBondContact O-CB 3.43Å; W83-T87 PolarHBondContact O-N 3.26Å; W83-T87 PolarHBondContact O-OG1 3.22Å; D84-T87 PolarHBondContact O-N 2.89Å; D84-T87 VanDerWaalsContact O-N 3.15Å; K85-T87 PolarHBondContact O-N 2.84Å; T87-S89 VanDerWaalsContact C-N 3.35Å; T87-S89 PolarHBondContact O-N 3.42Å; T87-R90 PolarHBondContact O-N 3.32Å; T87-K91 HydrophobicContact CG2-CD 4.46Å; T87-K91 WeakPolarHBondContact O-CG 3.25Å; T87-K91 PolarHBondContact O-N 3.28Å
88Q98.3Very high97Very high119 Ų11967.7 Ų67.756%0.55634%0.335SS*.Hα-helixtrans-64.2-40.8177.1-62.8-55.7-28.500112D84 K85 R90 K91 S92D84-Q88 WeakPolarHBondContact O-CG 3.43Å; D84-Q88 PolarHBondContact O-N 2.9Å; K85-Q88 PolarHBondContact O-N 2.67Å; Q88-R90 PolarHBondContact O-N 2.81Å; Q88-K91 PolarHBondContact O-N 3.37Å; Q88-S92 PolarHBondContact O-N 2.94Å
89S97Very high97Very high59 Ų5970.6 Ų70.641%0.41335%0.353SS..Hα-helixtrans-58.9-46.4173.6176.90000111.9K85 G86 T87 K91 S92 K93K85-S89 WeakPolarHBondContact O-CB 3.41Å; K85-S89 PolarHBondContact O-N 2.91Å; G86-S89 WeakPolarHBondContact O-CB 3.46Å; G86-S89 PolarHBondContact O-N 2.96Å; T87-S89 VanDerWaalsContact C-N 3.35Å; T87-S89 PolarHBondContact O-N 3.42Å; S89-K91 PolarHBondContact O-N 3.48Å; S89-S92 PolarHBondContact O-N 3.2Å; S89-K93 WeakPolarHBondContact O-CG 2.93Å; S89-K93 PolarHBondContact O-N 2.76Å
90R97.9Very high97Very high6 Ų666 Ų662%0.02333%0.333CS..Hα-helixtrans-64.3-39177.8-64-56.3177.866.44.3112.5Y29 Y31 A48 D58 Y60 G86 T87 Q88 K93 Q94Y29-R90 VanDerWaalsContact CD1-NH2 3.3Å; Y31-R90 PolarHBondContact OH-NE 3.25Å; A48-R90 HydrophobicContact CB-CG 4.48Å; A48-R90 PolarHBondContact O-NH1 2.97Å; A48-R90 VanDerWaalsContact O-NH1 3.11Å; D58-R90 IonicContact OD1-CZ 3.19Å; D58-R90 IonicContact OD1-NH1 2.85Å; D58-R90 PolarHBondContact OD1-NH1 3.27Å; D58-R90 VanDerWaalsContact OD1-NH1 3.09Å; D58-R90 IonicContact OD1-NH2 3.05Å; D58-R90 PolarHBondContact OD1-NH2 3.1Å; D58-R90 IonicContact OD2-NH2 3.46Å; Y60-R90 HydrophobicContact CD1-CB 3.97Å; Y60-R90 HydrophobicContact CD2-CB 3.52Å; Y60-R90 HydrophobicContact CD2-CG 4.1Å; Y60-R90 HydrophobicContact CE1-CB 4.19Å; Y60-R90 HydrophobicContact CE2-CB 3.73Å; Y60-R90 HydrophobicContact CG-CB 3.65Å; Y60-R90 HydrophobicContact CG-CG 4.04Å; G86-R90 WeakPolarHBondContact O-CG 3.43Å; G86-R90 PolarHBondContact O-N 3.11Å; T87-R90 PolarHBondContact O-N 3.32Å; Q88-R90 PolarHBondContact O-N 2.81Å; R90-K93 PolarHBondContact O-N 2.65Å; R90-Q94 PolarHBondContact O-N 3.05Å
91K98.3Very high97Very high77 Ų7762 Ų6234%0.33531%0.307SS..Hα-helixtrans-61.4-44.1172.8-76.6178.9174.1-178.20112.5Y60 Q65 T87 Q88 S89 K93 Q94 Q95Y60-K91 HydrophobicContact CE2-CG 4.26Å; Y60-K91 VanDerWaalsContact OH-CG 3.26Å; Y60-K91 WeakPolarHBondContact OH-CG 3.32Å; Q65-K91 WeakPolarHBondContact O-CE 3.41Å; T87-K91 HydrophobicContact CG2-CD 4.46Å; T87-K91 WeakPolarHBondContact O-CG 3.25Å; T87-K91 PolarHBondContact O-N 3.28Å; Q88-K91 PolarHBondContact O-N 3.37Å; S89-K91 PolarHBondContact O-N 3.48Å; K91-K93 VanDerWaalsContact C-N 3.35Å; K91-K93 PolarHBondContact O-N 3.26Å; K91-Q94 PolarHBondContact O-N 2.85Å; K91-Q95 PolarHBondContact O-N 2.85Å; K91-Q95 VanDerWaalsContact O-N 3.17Å
92S97.9Very high96.8Very high84 Ų8460.1 Ų60.159%0.58730%0.301SS*.Hα-helixtrans-61.3-43.7176-179.20000111.5Q88 S89 Q95 W96Q88-S92 PolarHBondContact O-N 2.94Å; S89-S92 PolarHBondContact O-N 3.2Å; S92-Q95 PolarHBondContact O-N 3.17Å; S92-W96 PolarHBondContact O-N 3Å
93K97.6Very high96.6Very high60 Ų6062.1 Ų62.126%0.26131%0.313SS..Hα-helixtrans-66-40.8176.1-67.7-63.7-178.3175.40112.6Y31 F46 S89 R90 K91 Q95 W96 F97 W120Y31-K93 HydrophobicContact CD1-CB 4.28Å; Y31-K93 HydrophobicContact CE1-CB 4Å; Y31-K93 HydrophobicContact CE1-CG 4.11Å; F46-K93 HydrophobicContact CZ-CB 4.21Å; S89-K93 WeakPolarHBondContact O-CG 2.93Å; S89-K93 PolarHBondContact O-N 2.76Å; R90-K93 PolarHBondContact O-N 2.65Å; K91-K93 VanDerWaalsContact C-N 3.35Å; K91-K93 PolarHBondContact O-N 3.26Å; K93-Q95 VanDerWaalsContact C-N 3.28Å; K93-Q95 PolarHBondContact O-N 2.75Å; K93-W96 WeakPolarHBondContact O-CB 3.23Å; K93-W96 PolarHBondContact O-N 3.23Å; K93-W96 VanDerWaalsContact O-N 3.1Å; K93-F97 WeakPolarHBondContact O-CD2 2.85Å; K93-F97 PolarHBondContact O-N 2.81Å; K93-W120 HydrophobicContact CD-CZ3 3.78Å; K93-W120 HydrophobicContact CG-CZ3 4.43Å
94Q97.7Very high96.5Very high32 Ų3261.2 Ų61.215%0.1531%0.31CS..Hα-helixtrans-53.5-47.5173.8179.5174.8-29.900111.3F46 Y60 R90 K91 F97 K98F46-Q94 HydrophobicContact CB-CG 3.85Å; F46-Q94 HydrophobicContact CD1-CB 3.59Å; F46-Q94 HydrophobicContact CD1-CG 3.76Å; F46-Q94 HydrophobicContact CD2-CB 4.32Å; F46-Q94 HydrophobicContact CD2-CG 4.42Å; F46-Q94 HydrophobicContact CE1-CB 3.64Å; F46-Q94 HydrophobicContact CE1-CG 4.33Å; F46-Q94 HydrophobicContact CE2-CB 4.37Å; F46-Q94 HydrophobicContact CG-CB 3.91Å; F46-Q94 HydrophobicContact CG-CG 3.77Å; F46-Q94 HydrophobicContact CZ-CB 4.01Å; Y60-Q94 PolarHBondContact OH-OE1 3.02Å; R90-Q94 PolarHBondContact O-N 3.05Å; K91-Q94 PolarHBondContact O-N 2.85Å; Q94-F97 PolarHBondContact O-N 2.72Å; Q94-K98 PolarHBondContact O-N 3.27Å
95Q97.1Very high96.4Very high113 Ų11356.4 Ų56.453%0.52829%0.285SS..Hα-helixtrans-67-37.9178.3-174.961.74.300112.5K91 S92 K93 K98 V99K91-Q95 PolarHBondContact O-N 2.85Å; K91-Q95 VanDerWaalsContact O-N 3.17Å; S92-Q95 PolarHBondContact O-N 3.17Å; K93-Q95 VanDerWaalsContact C-N 3.28Å; K93-Q95 PolarHBondContact O-N 2.75Å; Q95-K98 PolarHBondContact O-N 3.3Å; Q95-V99 WeakPolarHBondContact O-CG2 3.47Å; Q95-V99 PolarHBondContact O-N 3.21Å
96W96.9Very high96.2Very high77 Ų7758 Ų5829%0.29229%0.292SS..Hα-helixtrans-59.7-46.4173.9-178.494.1000111.5S92 K93 K98 V99 N100 L118 Y143 W174S92-W96 PolarHBondContact O-N 3Å; K93-W96 WeakPolarHBondContact O-CB 3.23Å; K93-W96 PolarHBondContact O-N 3.23Å; K93-W96 VanDerWaalsContact O-N 3.1Å; W96-K98 PolarHBondContact O-N 3.25Å; W96-V99 PolarHBondContact O-N 2.84Å; W96-N100 VanDerWaalsContact CD2-ND2 3.31Å; W96-N100 HydrophobicContact CE3-CB 4.41Å; W96-N100 HydrophobicContact CH2-CB 4.21Å; W96-N100 HydrophobicContact CZ2-CB 4.33Å; W96-N100 HydrophobicContact CZ3-CB 4.25Å; W96-N100 PolarHBondContact NE1-ND2 2.86Å; W96-N100 WeakPolarHBondContact O-CB 3.5Å; W96-N100 PolarHBondContact O-N 2.91Å; W96-N100 PolarHBondContact O-ND2 3.41Å; W96-L118 HydrophobicContact CZ3-CD2 4.3Å; W96-Y143 HydrophobicContact CH2-CD1 4.47Å; W96-Y143 AromaticContact CH2-CE1 3.72Å; W96-Y143 HydrophobicContact CH2-CE1 3.72Å; W96-Y143 HydrophobicContact CZ3-CE1 4.12Å; W96-W174 HydrophobicContact CZ2-CH2 4.46Å; W96-W174 HydrophobicContact CZ2-CZ2 4.35Å
97F97.4Very high96Very high0 Ų060.4 Ų60.40%030%0.297CS..Hα-helixtrans-61.9-44.7178.2-93.5-92.2000111.9Y31 A33 F46 K93 Q94 V99 N100 I101 L118 W120Y31-F97 HydrophobicContact CD1-CE2 4.33Å; Y31-F97 HydrophobicContact CG-CE2 4.18Å; Y31-F97 HydrophobicContact CG-CZ 4.47Å; A33-F97 HydrophobicContact CB-CB 3.68Å; A33-F97 HydrophobicContact CB-CD1 3.4Å; A33-F97 VanDerWaalsContact CB-CD1 3.4Å; A33-F97 HydrophobicContact CB-CE1 4.25Å; A33-F97 HydrophobicContact CB-CG 3.84Å; F46-F97 HydrophobicContact CD2-CB 4.16Å; F46-F97 HydrophobicContact CD2-CD2 4.29Å; F46-F97 HydrophobicContact CD2-CG 4.22Å; F46-F97 HydrophobicContact CE2-CB 4.19Å; F46-F97 AromaticContact CE2-CD2 3.55Å; F46-F97 HydrophobicContact CE2-CD2 3.55Å; F46-F97 HydrophobicContact CE2-CE2 4.02Å; F46-F97 AromaticContact CE2-CG 3.93Å; F46-F97 HydrophobicContact CE2-CG 3.93Å; F46-F97 HydrophobicContact CZ-CD2 4.48Å; K93-F97 WeakPolarHBondContact O-CD2 2.85Å; K93-F97 PolarHBondContact O-N 2.81Å; Q94-F97 PolarHBondContact O-N 2.72Å; F97-V99 VanDerWaalsContact C-N 3.27Å; F97-V99 PolarHBondContact O-N 3.12Å; F97-N100 PolarHBondContact O-N 2.81Å; F97-I101 WeakPolarHBondContact O-CB 3.34Å; F97-I101 PolarHBondContact O-N 2.98Å; F97-L118 HydrophobicContact CD1-CB 4.14Å; F97-L118 HydrophobicContact CD1-CD2 3.74Å; F97-L118 HydrophobicContact CD1-CG 3.91Å; F97-L118 HydrophobicContact CE1-CB 4.16Å; F97-L118 HydrophobicContact CE1-CD2 3.92Å; F97-L118 HydrophobicContact CE1-CG 3.69Å; F97-L118 WeakPolarHBondContact CE1-O 3.23Å; F97-W120 HydrophobicContact CE1-CB 4.48Å; F97-W120 HydrophobicContact CE2-CB 4.33Å; F97-W120 HydrophobicContact CE2-CE3 4.24Å; F97-W120 HydrophobicContact CZ-CB 3.57Å
98K94.3Very high95.8Very high112 Ų11262.9 Ų62.949%0.48731%0.308SS..Hα-helixtrans-55.2-42.2177.3-176173-177166.80112.5Q94 Q95 W96Q94-K98 PolarHBondContact O-N 3.27Å; Q95-K98 PolarHBondContact O-N 3.3Å; W96-K98 PolarHBondContact O-N 3.25Å
99V95.1Very high95.6Very high72 Ų7268.5 Ų68.544%0.43633%0.325SS..Hα-helixtrans-74.2-41.9177.7174.80000111.8Q95 W96 F97 I103Q95-V99 WeakPolarHBondContact O-CG2 3.47Å; Q95-V99 PolarHBondContact O-N 3.21Å; W96-V99 PolarHBondContact O-N 2.84Å; F97-V99 VanDerWaalsContact C-N 3.27Å; F97-V99 PolarHBondContact O-N 3.12Å; V99-I103 HydrophobicContact CG1-CD1 4.01Å; V99-I103 WeakPolarHBondContact O-CG1 3.1Å; V99-I103 PolarHBondContact O-N 2.84Å
100N94.8Very high95.5Very high45 Ų4568.5 Ų68.524%0.24132%0.318CS..Hα-helixtrans-76.3-28.9-172-78.9-86.3000113.2W96 F97 D102 I103 L104 L118W96-N100 VanDerWaalsContact CD2-ND2 3.31Å; W96-N100 HydrophobicContact CE3-CB 4.41Å; W96-N100 HydrophobicContact CH2-CB 4.21Å; W96-N100 HydrophobicContact CZ2-CB 4.33Å; W96-N100 HydrophobicContact CZ3-CB 4.25Å; W96-N100 PolarHBondContact NE1-ND2 2.86Å; W96-N100 WeakPolarHBondContact O-CB 3.5Å; W96-N100 PolarHBondContact O-N 2.91Å; W96-N100 PolarHBondContact O-ND2 3.41Å; F97-N100 PolarHBondContact O-N 2.81Å; N100-D102 VanDerWaalsContact C-N 3.35Å; N100-I103 PolarHBondContact O-N 2.04Å; N100-L104 VanDerWaalsContact O-CB 3.29Å; N100-L104 WeakPolarHBondContact O-CB 3.19Å; N100-L104 PolarHBondContact O-N 3.49Å; N100-L118 HydrophobicContact CB-CD2 4.47Å
101I95.1Very high95.1Very high4 Ų472.5 Ų72.52%0.02134%0.34CS..Hα-helixtrans-65-40.6176.1-158.3158.8000111.2F97 I103 L104 M105 L118 Y145F97-I101 WeakPolarHBondContact O-CB 3.34Å; F97-I101 PolarHBondContact O-N 2.98Å; I101-I103 PolarHBondContact O-N 3.17Å; I101-L104 PolarHBondContact O-N 2.94Å; I101-M105 WeakPolarHBondContact O-CB 3.45Å; I101-M105 VanDerWaalsContact O-CG 3.29Å; I101-M105 WeakPolarHBondContact O-CG 3.41Å; I101-M105 PolarHBondContact O-N 2.8Å; I101-L118 HydrophobicContact CD1-CB 3.99Å; I101-L118 HydrophobicContact CG1-CB 4.31Å; I101-Y145 HydrophobicContact CG1-CE2 4.38Å
102D93Very high94.7Very high75 Ų7574.6 Ų74.640%0.40136%0.355SS..Hα-helixtrans-63.8-39.7176.1-74.8-18.1000112.5N100 K106N100-D102 VanDerWaalsContact C-N 3.35Å; D102-K106 WeakPolarHBondContact O-CG 3.31Å; D102-K106 PolarHBondContact O-N 3.4Å
103I93.3Very high94.3Very high81 Ų8175.5 Ų75.542%0.41536%0.357SS..Hα-helixtrans-65.2-44.5175.8-66.7169.8000109.8V99 N100 I101 K106 R107V99-I103 HydrophobicContact CG1-CD1 4.01Å; V99-I103 WeakPolarHBondContact O-CG1 3.1Å; V99-I103 PolarHBondContact O-N 2.84Å; N100-I103 PolarHBondContact O-N 2.04Å; I101-I103 PolarHBondContact O-N 3.17Å; I103-K106 PolarHBondContact O-N 3.25Å; I103-R107 PolarHBondContact O-N 2.79Å
104L94.1Very high94.1Very high9 Ų977.6 Ų77.65%0.04737%0.371CS..Hα-helixtrans-66.9-44.2-177.4-175.552.3000111.6N100 I101 K106 R107 M108 L118 Y145 F150N100-L104 VanDerWaalsContact O-CB 3.29Å; N100-L104 WeakPolarHBondContact O-CB 3.19Å; N100-L104 PolarHBondContact O-N 3.49Å; I101-L104 PolarHBondContact O-N 2.94Å; L104-K106 VanDerWaalsContact C-N 3.3Å; L104-K106 PolarHBondContact O-N 3.47Å; L104-R107 CarbonylContact O-C 3.57Å; L104-R107 WeakPolarHBondContact O-CB 3.08Å; L104-R107 PolarHBondContact O-N 3.46Å; L104-M108 HydrophobicContact CD1-CG 3.94Å; L104-M108 HydrophobicContact CG-CG 4.27Å; L104-M108 WeakPolarHBondContact O-CB 3.38Å; L104-M108 VanDerWaalsContact O-CG 3.25Å; L104-M108 WeakPolarHBondContact O-CG 3.09Å; L104-M108 PolarHBondContact O-N 2.88Å; L104-L118 HydrophobicContact CD2-CD1 3.91Å; L104-Y145 HydrophobicContact CB-CE2 4.4Å; L104-Y145 HydrophobicContact CD2-CD1 4.25Å; L104-Y145 HydrophobicContact CD2-CD2 3.18Å; L104-Y145 HydrophobicContact CD2-CE2 3.57Å; L104-Y145 HydrophobicContact CD2-CG 3.54Å; L104-Y145 HydrophobicContact CG-CD1 4.38Å; L104-Y145 HydrophobicContact CG-CD2 3.88Å; L104-Y145 HydrophobicContact CG-CE1 4.32Å; L104-Y145 HydrophobicContact CG-CE2 3.78Å; L104-Y145 HydrophobicContact CG-CG 4.14Å; L104-F150 HydrophobicContact CD1-CD2 4.18Å; L104-F150 HydrophobicContact CD1-CE1 4.19Å; L104-F150 HydrophobicContact CD1-CE2 3.36Å; L104-F150 HydrophobicContact CD1-CZ 3.36Å; L104-F150 HydrophobicContact CD2-CE1 4.43Å; L104-F150 HydrophobicContact CD2-CE2 4.39Å; L104-F150 HydrophobicContact CD2-CZ 4.33Å
105M95.5Very high93.9Very high4 Ų478.6 Ų78.62%0.0238%0.38CS..Hα-helixtrans-54.3-45.6173.9-74.8174.660.700112S35 I101 R107 M108 R109 Q110 N111 N112 H116 Y145S35-M105 WeakPolarHBondContact CB-SD 3.26Å; I101-M105 WeakPolarHBondContact O-CB 3.45Å; I101-M105 VanDerWaalsContact O-CG 3.29Å; I101-M105 WeakPolarHBondContact O-CG 3.41Å; I101-M105 PolarHBondContact O-N 2.8Å; M105-R107 PolarHBondContact O-N 3.01Å; M105-M108 CarbonylContact O-C 3.43Å; M105-M108 PolarHBondContact O-N 2.83Å; M105-R109 PolarHBondContact O-N 3.29Å; M105-Q110 HydrophobicContact CB-CB 4.48Å; M105-Q110 PolarHBondContact O-N 3.28Å; M105-N111 WeakPolarHBondContact CE-O 3.4Å; M105-N112 WeakPolarHBondContact CE-OD1 3.39Å; M105-H116 HydrophobicContact CG-CB 4.26Å; M105-H116 HydrophobicContact SD-CB 4.37Å; M105-Y145 WeakPolarHBondContact CG-OH 3.42Å
106K93.8Very high93.8Very high164 Ų16473.7 Ų73.771%0.71336%0.357SS*.Hα-helixtrans-61.5-43.6175.5-70.7172.2-174.9173.20111.9D102 I103 L104 M108 R109D102-K106 WeakPolarHBondContact O-CG 3.31Å; D102-K106 PolarHBondContact O-N 3.4Å; I103-K106 PolarHBondContact O-N 3.25Å; L104-K106 VanDerWaalsContact C-N 3.3Å; L104-K106 PolarHBondContact O-N 3.47Å; K106-M108 VanDerWaalsContact C-N 3.29Å; K106-M108 PolarHBondContact O-N 2.86Å; K106-R109 PolarHBondContact O-N 3.37Å
107R93.1Very high93.8Very high64 Ų6472.5 Ų72.524%0.24236%0.355CS..Hα-helixtrans-65.4-34.4178.8-164.3-176.2-72.1162.2-1112.1I103 L104 M105 R109 A166 E169 T170I103-R107 PolarHBondContact O-N 2.79Å; L104-R107 CarbonylContact O-C 3.57Å; L104-R107 WeakPolarHBondContact O-CB 3.08Å; L104-R107 PolarHBondContact O-N 3.46Å; M105-R107 PolarHBondContact O-N 3.01Å; R107-R109 PolarHBondContact O-N 3.38Å; R107-A166 WeakPolarHBondContact CD-O 3.28Å; R107-A166 HydrophobicContact CG-CB 4.29Å; R107-A166 PolarHBondContact NH1-O 3.21Å; R107-E169 IonicContact CZ-OE2 3.46Å; R107-E169 IonicContact NE-OE2 3.67Å; R107-E169 PolarHBondContact NE-OE2 3.05Å; R107-E169 VanDerWaalsContact NH2-CD 3.27Å; R107-E169 IonicContact NH2-OE1 2.79Å; R107-E169 IonicContact NH2-OE2 3.43Å; R107-E169 PolarHBondContact NH2-OE2 2.78Å; R107-T170 PolarHBondContact NH1-OG1 3.44Å
108M94.4Very high93.8Very high63 Ų6372.7 Ų72.731%0.3136%0.356SS..THydrogen-bonded Turntrans-80.1-0.8174.6-63.5-61.9-74.600113.1L104 M105 K106 Q110 Y145 I164 A166L104-M108 HydrophobicContact CD1-CG 3.94Å; L104-M108 HydrophobicContact CG-CG 4.27Å; L104-M108 WeakPolarHBondContact O-CB 3.38Å; L104-M108 VanDerWaalsContact O-CG 3.25Å; L104-M108 WeakPolarHBondContact O-CG 3.09Å; L104-M108 PolarHBondContact O-N 2.88Å; M105-M108 CarbonylContact O-C 3.43Å; M105-M108 PolarHBondContact O-N 2.83Å; K106-M108 VanDerWaalsContact C-N 3.29Å; K106-M108 PolarHBondContact O-N 2.86Å; M108-Q110 HydrophobicContact CB-CG 3.99Å; M108-Q110 PolarHBondContact O-N 3.43Å; M108-Y145 HydrophobicContact CB-CE1 4.35Å; M108-Y145 HydrophobicContact CE-CD1 4.24Å; M108-Y145 HydrophobicContact CE-CE1 4.36Å; M108-Y145 HydrophobicContact CG-CD1 4.2Å; M108-Y145 HydrophobicContact CG-CE1 3.75Å; M108-I164 HydrophobicContact CE-CD1 4.1Å; M108-I164 HydrophobicContact SD-CD1 4.09Å; M108-A166 HydrophobicContact SD-CB 3.32Å; M108-A166 WeakPolarHBondContact SD-CB 3.43Å
109R94.1Very high94Very high237 Ų23770.4 Ų70.489%0.89435%0.347SS*.THydrogen-bonded Turntrans57.633.9-177.1-52.6178.4-178.2173.90.1113M105 K106 R107M105-R109 PolarHBondContact O-N 3.29Å; K106-R109 PolarHBondContact O-N 3.37Å; R107-R109 PolarHBondContact O-N 3.38Å
110Q94.7Very high94.2Very high59 Ų5967.7 Ų67.728%0.27633%0.329SS..  trans-94.5159.2177.8-69.1165.5-36.100110.9M105 M108 H116 Y145 D146M105-Q110 HydrophobicContact CB-CB 4.48Å; M105-Q110 PolarHBondContact O-N 3.28Å; M108-Q110 HydrophobicContact CB-CG 3.99Å; M108-Q110 PolarHBondContact O-N 3.43Å; Q110-H116 PolarHBondContact NE2-CE1 2.61Å; Q110-H116 PolarHBondContact NE2-ND1 2.97Å; Q110-Y145 VanDerWaalsContact OE1-CZ 3.29Å; Q110-Y145 PolarHBondContact OE1-OH 3.33Å; Q110-D146 PolarHBondContact NE2-OD2 2.91Å
111N89.8Confident94.3Very high91 Ų9168.2 Ų68.249%0.48733%0.331SS..  trans-111.5-179.4175.866.826.7000110.2M105 T113 H116M105-N111 WeakPolarHBondContact CE-O 3.4Å; N111-T113 VanDerWaalsContact C-N 3.28Å; N111-T113 PolarHBondContact O-N 2.79Å; N111-T113 WeakPolarHBondContact OD1-CB 3.27Å; N111-T113 PolarHBondContact OD1-N 3.5Å; N111-T113 PolarHBondContact OD1-OG1 3.41Å; N111-H116 PolarHBondContact O-NE2 2.83Å
112N88.6Confident94.3Very high120 Ų12068.8 Ų68.864%0.64233%0.333SS*.SBendtrans-88.98.9-178.5-62.40.2000113.3K36 M105K36-N112 PolarHBondContact NZ-O 2.87Å; M105-N112 WeakPolarHBondContact CE-OD1 3.39Å
113T90.6Very high94.6Very high103 Ų10365.2 Ų65.263%0.63231%0.314SS*.SBendtrans-69.9-41.1-178.3-560000110.9K36 N111K36-T113 VanDerWaalsContact NZ-C 3.26Å; K36-T113 PolarHBondContact NZ-O 3.36Å; N111-T113 VanDerWaalsContact C-N 3.28Å; N111-T113 PolarHBondContact O-N 2.79Å; N111-T113 WeakPolarHBondContact OD1-CB 3.27Å; N111-T113 PolarHBondContact OD1-N 3.5Å; N111-T113 PolarHBondContact OD1-OG1 3.41Å
114D91.9Very high94.8Very high104 Ų10461.3 Ų61.356%0.55629%0.294SS*.SBendtrans-95.1162.9174.7-63.4-40.6000111.5K36K36-D114 VanDerWaalsContact CE-O 3.31Å; K36-D114 WeakPolarHBondContact CE-O 3.27Å; K36-D114 PolarHBondContact NZ-O 3.44Å
115T94.3Very high95Very high54 Ų5463.5 Ų63.533%0.33130%0.304SS..  trans-93.2129171.5-59.30000108.3F34 K36 V38F34-T115 HydrophobicContact CB-CG2 4.19Å; F34-T115 HydrophobicContact CD1-CG2 3.86Å; K36-T115 WeakPolarHBondContact CE-OG1 3.28Å; K36-T115 HydrophobicContact CG-CG2 4.22Å; V38-T115 HydrophobicContact CG2-CG2 3.83Å
116H95.8Very high95Very high10 Ų1063.3 Ų63.35%0.04630%0.304CS..  trans-109.1155.1176.2-61.7-71.1000110.5F34 S35 M105 Q110 N111 Y145 D146F34-H116 CarbonylContact C-O 3.57Å; F34-H116 WeakPolarHBondContact CA-O 3.32Å; S35-H116 PolarHBondContact N-O 2.92Å; S35-H116 PolarHBondContact OG-N 2.88Å; M105-H116 HydrophobicContact CG-CB 4.26Å; M105-H116 HydrophobicContact SD-CB 4.37Å; Q110-H116 PolarHBondContact NE2-CE1 2.61Å; Q110-H116 PolarHBondContact NE2-ND1 2.97Å; N111-H116 PolarHBondContact O-NE2 2.83Å; H116-Y145 HydrophobicContact CB-CE2 4.08Å; H116-Y145 WeakPolarHBondContact CB-OH 3.5Å; H116-D146 WeakPolarHBondContact CA-OD1 3.42Å; H116-D146 WeakPolarHBondContact CB-OD1 3.33Å; H116-D146 IonicContact CE1-OD2 2.96Å; H116-D146 IonicContact CG-OD1 3.04Å; H116-D146 IonicContact CG-OD2 3.52Å; H116-D146 IonicContact ND1-OD1 3.97Å; H116-D146 PolarHBondContact ND1-OD1 3.34Å; H116-D146 IonicContact ND1-OD2 2.7Å; H116-D146 PolarHBondContact ND1-OD2 2.95Å
117I96.3Very high95.1Very high51 Ų5157.5 Ų57.526%0.26228%0.279SS..EExtended strand (participates in β ladder)trans-130.1126.1-175.2-48.6178.9000109.1T32 A33 F34 Q119 Y145 D146T32-I117 HydrophobicContact CG2-CG2 3.85Å; A33-I117 WeakPolarHBondContact O-CA 3.38Å; F34-I117 HydrophobicContact CD1-CD1 3.95Å; F34-I117 HydrophobicContact CD1-CG1 3.66Å; F34-I117 HydrophobicContact CE1-CD1 3.48Å; F34-I117 VanDerWaalsContact CE1-CD1 3.48Å; F34-I117 HydrophobicContact CE1-CG1 3.74Å; F34-I117 HydrophobicContact CE1-CG2 4.5Å; F34-I117 HydrophobicContact CZ-CD1 4.4Å; I117-Q119 HydrophobicContact CG2-CG 3.89Å; I117-Y145 WeakPolarHBondContact O-CA 3.49Å; I117-Y145 WeakPolarHBondContact O-CD2 3.41Å; I117-D146 PolarHBondContact N-OD1 3.28Å; I117-D146 PolarHBondContact O-N 2.87Å
118L97.8Very high95Very high5 Ų555.6 Ų55.63%0.02628%0.275CS..EExtended strand (participates in β ladder)trans-109.8129.7168.2-178.862.3000108.6A33 W96 F97 N100 I101 L104 Y145A33-L118 PolarHBondContact N-O 3.04Å; A33-L118 PolarHBondContact O-N 3.45Å; W96-L118 HydrophobicContact CZ3-CD2 4.3Å; F97-L118 HydrophobicContact CD1-CB 4.14Å; F97-L118 HydrophobicContact CD1-CD2 3.74Å; F97-L118 HydrophobicContact CD1-CG 3.91Å; F97-L118 HydrophobicContact CE1-CB 4.16Å; F97-L118 HydrophobicContact CE1-CD2 3.92Å; F97-L118 HydrophobicContact CE1-CG 3.69Å; F97-L118 WeakPolarHBondContact CE1-O 3.23Å; N100-L118 HydrophobicContact CB-CD2 4.47Å; I101-L118 HydrophobicContact CD1-CB 3.99Å; I101-L118 HydrophobicContact CG1-CB 4.31Å; L104-L118 HydrophobicContact CD2-CD1 3.91Å; L118-Y145 HydrophobicContact CB-CD2 4.33Å; L118-Y145 HydrophobicContact CD1-CD2 4.29Å
119Q98.2Very high94.8Very high63 Ų6355.1 Ų55.129%0.29427%0.272SS..EExtended strand (participates in β ladder)trans-123.7146.5176.7-55.3-176.8-87.800110.4Y31 T32 I117 Y143 N144Y31-Q119 CarbonylContact O-C 3.58Å; Y31-Q119 WeakPolarHBondContact O-CA 3.28Å; T32-Q119 HydrophobicContact CG2-CG 4.07Å; T32-Q119 PolarHBondContact OG1-NE2 3.47Å; I117-Q119 HydrophobicContact CG2-CG 3.89Å; Q119-Y143 CarbonylContact O-C 3.53Å; Q119-Y143 VanDerWaalsContact O-CA 3.26Å; Q119-Y143 WeakPolarHBondContact O-CA 3.43Å; Q119-N144 HydrophobicContact CB-CB 4.29Å; Q119-N144 PolarHBondContact N-O 2.87Å; Q119-N144 PolarHBondContact O-N 3.26Å
120W98.2Very high94.4Very high16 Ų1649.4 Ų49.46%0.06127%0.265CS..EExtended strand (participates in β ladder)trans-131.2119.9172.6179.434.6000108.8I30 Y31 K93 F97 H122 D141 M142 Y143I30-W120 WeakPolarHBondContact CA-O 3.07Å; Y31-W120 HydrophobicContact CD2-CD2 4.25Å; Y31-W120 AromaticContact CD2-CE3 3.64Å; Y31-W120 HydrophobicContact CD2-CE3 3.64Å; Y31-W120 HydrophobicContact CD2-CZ3 4.19Å; Y31-W120 AromaticContact CE2-CE3 3.94Å; Y31-W120 HydrophobicContact CE2-CE3 3.94Å; Y31-W120 HydrophobicContact CE2-CZ3 4.01Å; Y31-W120 HydrophobicContact CG-CE3 4.03Å; Y31-W120 PolarHBondContact N-O 3.32Å; Y31-W120 PolarHBondContact O-N 3.03Å; K93-W120 HydrophobicContact CD-CZ3 3.78Å; K93-W120 HydrophobicContact CG-CZ3 4.43Å; F97-W120 HydrophobicContact CE1-CB 4.48Å; F97-W120 HydrophobicContact CE2-CB 4.33Å; F97-W120 HydrophobicContact CE2-CE3 4.24Å; F97-W120 HydrophobicContact CZ-CB 3.57Å; W120-H122 AromaticContact CE2-CG 3.96Å; W120-H122 HydrophobicContact CZ2-CB 4.17Å; W120-H122 AromaticContact CZ2-CG 3.8Å; W120-H122 AromaticContact CZ2-ND1 3.94Å; W120-D141 PolarHBondContact NE1-OD1 3.47Å; W120-M142 CarbonylContact C-O 3.44Å; W120-M142 WeakPolarHBondContact CA-O 3.49Å; W120-Y143 HydrophobicContact CB-CD1 3.89Å; W120-Y143 HydrophobicContact CB-CE1 3.74Å; W120-Y143 AromaticContact CD1-CD1 3.92Å; W120-Y143 AromaticContact CD1-CE1 3.53Å; W120-Y143 AromaticContact CD1-CE2 3.68Å; W120-Y143 AromaticContact CD1-CZ 3.4Å; W120-Y143 HydrophobicContact CD2-CE1 4.01Å; W120-Y143 AromaticContact CE2-CZ 3.86Å; W120-Y143 HydrophobicContact CG-CD1 4Å; W120-Y143 AromaticContact CG-CE1 3.49Å; W120-Y143 HydrophobicContact CG-CE1 3.49Å; W120-Y143 VanDerWaalsContact CG-CE1 3.49Å; W120-Y143 HydrophobicContact CG-CE2 4.44Å; W120-Y143 AromaticContact CG-CZ 3.75Å; W120-Y143 AromaticContact NE1-CE2 3.7Å; W120-Y143 AromaticContact NE1-CZ 3.45Å; W120-Y143 PolarHBondContact NE1-OH 2.83Å
121M97.5Very high94.1Very high56 Ų5652.1 Ų52.128%0.27628%0.282SS..EExtended strand (participates in β ladder)trans-111.6120.2173.8-177.2-179.5-64.700107.9T28 Y29 I30 M140 D141 M142T28-M121 HydrophobicContact CG2-CG 3.45Å; T28-M121 VanDerWaalsContact CG2-CG 3.45Å; T28-M121 HydrophobicContact CG2-SD 4.06Å; Y29-M121 WeakPolarHBondContact O-CA 3.43Å; I30-M121 HydrophobicContact CD1-CE 3.98Å; I30-M121 HydrophobicContact CG1-CE 4.19Å; I30-M121 HydrophobicContact CG1-CG 4.31Å; M121-M140 HydrophobicContact CG-SD 3.9Å; M121-M140 HydrophobicContact SD-CE 4.38Å; M121-M140 HydrophobicContact SD-SD 3.86Å; M121-D141 WeakPolarHBondContact O-CA 3.19Å; M121-M142 PolarHBondContact N-O 3.05Å; M121-M142 PolarHBondContact O-N 2.83Å
122H96.2Very high93.8Very high15 Ų1549.5 Ų49.57%0.06928%0.276CS..EExtended strand (participates in β ladder)trans-139.5147.2173.683125.2000112.4Y29 Y31 W120 M140 D141 Y187Y29-H122 PolarHBondContact N-O 2.91Å; Y29-H122 PolarHBondContact O-N 2.87Å; Y31-H122 AromaticContact CE2-CD2 3.84Å; Y31-H122 AromaticContact CE2-NE2 3.68Å; W120-H122 AromaticContact CE2-CG 3.96Å; W120-H122 HydrophobicContact CZ2-CB 4.17Å; W120-H122 AromaticContact CZ2-CG 3.8Å; W120-H122 AromaticContact CZ2-ND1 3.94Å; H122-M140 CarbonylContact C-O 3.5Å; H122-M140 WeakPolarHBondContact CA-O 3.46Å; H122-D141 HydrophobicContact CB-CB 4.28Å; H122-Y187 AromaticContact CE1-CE1 3.4Å; H122-Y187 VanDerWaalsContact CE1-CE1 3.4Å; H122-Y187 WeakPolarHBondContact CE1-CE1 3.25Å; H122-Y187 AromaticContact CE1-CZ 3.56Å; H122-Y187 PolarHBondContact CE1-OH 3.22Å; H122-Y187 AromaticContact ND1-CD1 3.87Å; H122-Y187 AromaticContact ND1-CE1 3.27Å; H122-Y187 VanDerWaalsContact ND1-CE1 3.27Å; H122-Y187 WeakPolarHBondContact ND1-CE1 3.48Å; H122-Y187 AromaticContact ND1-CZ 3.93Å
123G97.8Very high93.8Very high0 Ų047.3 Ų47.30%027%0.267CS..EExtended strand (participates in β ladder)trans161.8-169-170.700000113.8L27 M140 L188L27-G123 CarbonylContact O-C 3.59Å; L27-G123 WeakPolarHBondContact O-CA 3.22Å; G123-M140 PolarHBondContact N-O 3.32Å; G123-M140 VanDerWaalsContact O-CG 3.31Å; G123-M140 WeakPolarHBondContact O-CG 3.41Å; G123-M140 PolarHBondContact O-N 3.35Å; G123-L188 WeakPolarHBondContact O-CD2 3.37Å
124C98.1Very high93.9Very high0 Ų044 Ų440%025%0.245CC..EExtended strand (participates in β ladder)trans-143.1156.1-174.659.80000111.4S26 L27 F136 R138 L188 C192 M193S26-C124 WeakPolarHBondContact CA-O 3.29Å; L27-C124 PolarHBondContact N-O 3.4Å; L27-C124 PolarHBondContact O-N 3.36Å; C124-F136 HydrophobicContact CB-CE2 4.38Å; C124-R138 CarbonylContact C-O 3.49Å; C124-R138 WeakPolarHBondContact CA-O 3.34Å; C124-L188 WeakPolarHBondContact CB-O 3.34Å; C124-C192 HydrophobicContact CB-CB 3.75Å; C124-C192 WeakPolarHBondContact CB-SG 3.35Å; C124-C192 PolarHBondContact N-SG 3.42Å; C124-C192 WeakPolarHBondContact SG-CB 3.14Å; C124-C192 CovalentContact SG-SG 2.04Å; C124-C192 PolarHBondContact SG-SG 3.34Å; C124-M193 HydrophobicContact CB-CG 4.45Å; C124-M193 HydrophobicContact CB-SD 4.14Å; C124-M193 PolarHBondContact SG-N 3.44Å
125E97.8Very high94Very high54 Ų5444.7 Ų44.725%0.25224%0.243SC..EExtended strand (participates in β ladder)trans-118.5143169-65-177.3177.700110.2H25 V137 R138H25-E125 WeakPolarHBondContact O-CA 3.47Å; E125-V137 HydrophobicContact CB-CB 4.32Å; E125-V137 WeakPolarHBondContact O-CB 3.3Å; E125-V137 PolarHBondContact O-N 3.49Å; E125-R138 HydrophobicContact CB-CG 4Å; E125-R138 HydrophobicContact CG-CG 4.2Å; E125-R138 PolarHBondContact N-O 3Å; E125-R138 PolarHBondContact O-N 2.97Å; E125-R138 IonicContact OE1-CZ 3.66Å; E125-R138 VanDerWaalsContact OE1-CZ 3.3Å; E125-R138 IonicContact OE1-NE 3.8Å; E125-R138 PolarHBondContact OE1-NE 3.4Å; E125-R138 IonicContact OE1-NH2 2.78Å; E125-R138 PolarHBondContact OE1-NH2 2.86Å; E125-R138 IonicContact OE2-CZ 2.61Å; E125-R138 IonicContact OE2-NE 3.51Å; E125-R138 PolarHBondContact OE2-NE 2.87Å; E125-R138 IonicContact OE2-NH2 3.69Å
126G96.2Very high94.1Very high1 Ų144.7 Ų44.71%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-143.8157.6-176.900000112.8K24 H25 M134 K135K24-G126 WeakPolarHBondContact CA-O 3.29Å; H25-G126 PolarHBondContact N-O 2.74Å; H25-G126 PolarHBondContact O-N 2.91Å; G126-M134 WeakPolarHBondContact O-CE 3.48Å; G126-K135 CarbonylContact C-O 3.54Å; G126-K135 WeakPolarHBondContact CA-O 3.41Å
127E95.2Very high94.1Very high41 Ų4147 Ų4719%0.19225%0.253CS..EExtended strand (participates in β ladder)trans-117.9125.5177-86.2172.8-166.700110.7T22 K24 Q129 K135 V137T22-E127 HydrophobicContact CG2-CB 3.62Å; T22-E127 HydrophobicContact CG2-CG 3.72Å; K24-E127 WeakPolarHBondContact CE-OE1 3.41Å; K24-E127 HydrophobicContact CG-CG 3.73Å; K24-E127 IonicContact NZ-OE1 3.86Å; K24-E127 PolarHBondContact NZ-OE1 2.89Å; E127-Q129 PolarHBondContact O-N 3.49Å; E127-Q129 PolarHBondContact O-NE2 2.96Å; E127-Q129 VanDerWaalsContact O-NE2 3.1Å; E127-K135 PolarHBondContact N-O 2.97Å; E127-K135 PolarHBondContact O-N 3.32Å; E127-V137 HydrophobicContact CB-CG2 4.05Å; E127-V137 HydrophobicContact CG-CG2 3.67Å
128T91.1Very high94.1Very high25 Ų2549.8 Ų49.815%0.15326%0.261CS..EExtended strand (participates in β ladder)trans-71.1120.4174.2-61.50000109.1T22 E23 H25 M134 R200T22-T128 WeakPolarHBondContact CG2-O 3.3Å; E23-T128 PolarHBondContact O-N 2.73Å; H25-T128 PolarHBondContact CD2-OG1 2.78Å; H25-T128 VanDerWaalsContact CD2-OG1 3.3Å; H25-T128 PolarHBondContact NE2-OG1 3.34Å; T128-M134 VanDerWaalsContact N-CE 3.35Å; T128-R200 PolarHBondContact OG1-NH1 2.87Å; T128-R200 VanDerWaalsContact OG1-NH1 3.12Å
129Q90.3Very high94.1Very high52 Ų5250.2 Ų50.224%0.24327%0.266CS..  trans-82.4163.4177.9-59-53.7-69.100111.1E127 D131 G132 T133 K135E127-Q129 PolarHBondContact O-N 3.49Å; E127-Q129 PolarHBondContact O-NE2 2.96Å; E127-Q129 VanDerWaalsContact O-NE2 3.1Å; Q129-D131 WeakPolarHBondContact CB-OD1 3.26Å; Q129-D131 PolarHBondContact O-N 3.18Å; Q129-D131 VanDerWaalsContact O-N 3.14Å; Q129-G132 WeakPolarHBondContact O-CA 3.36Å; Q129-G132 PolarHBondContact O-N 3.32Å; Q129-T133 PolarHBondContact N-O 3.22Å; Q129-K135 HydrophobicContact CG-CB 3.84Å; Q129-K135 VanDerWaalsContact NE2-CB 3.33Å
130P86.8Confident93.9Very high117 Ų11748 Ų4876%0.7626%0.256SS*.THydrogen-bonded Turntrans-58.3-25.9179.8-26.936.1000114.9G132P130-G132 VanDerWaalsContact C-N 3.25Å; P130-G132 PolarHBondContact O-N 3.18Å
131D86.9Confident93.9Very high116 Ų11647.6 Ų47.662%0.6226%0.255SS*.THydrogen-bonded Turntrans-82.81.6175.466.80.3000113.5Q129 T133Q129-D131 WeakPolarHBondContact CB-OD1 3.26Å; Q129-D131 PolarHBondContact O-N 3.18Å; Q129-D131 VanDerWaalsContact O-N 3.14Å; D131-T133 VanDerWaalsContact C-N 3.31Å; D131-T133 VanDerWaalsContact OD1-CB 3.32Å; D131-T133 WeakPolarHBondContact OD1-CB 3.45Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.46Å; D131-T133 PolarHBondContact OD1-N 2.98Å; D131-T133 PolarHBondContact OD1-OG1 3.32Å; D131-T133 PolarHBondContact OD2-OG1 3.1Å
132G83.9Confident93.9Very high36 Ų3647.7 Ų47.737%0.37126%0.256SS..SBendtrans85.7-7.6-179.200000114.9Q129 P130Q129-G132 WeakPolarHBondContact O-CA 3.36Å; Q129-G132 PolarHBondContact O-N 3.32Å; P130-G132 VanDerWaalsContact C-N 3.25Å; P130-G132 PolarHBondContact O-N 3.18Å
133T89.3Confident94Very high74 Ų7447.8 Ų47.845%0.45426%0.255SS..PPolyproline II helixtrans-69.6156.1176.567.10000111.1Q129 D131Q129-T133 PolarHBondContact N-O 3.22Å; D131-T133 VanDerWaalsContact C-N 3.31Å; D131-T133 VanDerWaalsContact OD1-CB 3.32Å; D131-T133 WeakPolarHBondContact OD1-CB 3.45Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.46Å; D131-T133 PolarHBondContact OD1-N 2.98Å; D131-T133 PolarHBondContact OD1-OG1 3.32Å; D131-T133 PolarHBondContact OD2-OG1 3.1Å
134M91.8Very high94Very high35 Ų3548.9 Ų48.917%0.17226%0.261CS..EExtended strand (participates in β ladder)trans-99.2123.9173.9-74.7-121.973.700110.1H25 G126 T128 M193 M196 A197H25-M134 HydrophobicContact CB-CE 4.25Å; H25-M134 HydrophobicContact CB-SD 4.46Å; G126-M134 WeakPolarHBondContact O-CE 3.48Å; T128-M134 VanDerWaalsContact N-CE 3.35Å; M134-M193 HydrophobicContact CB-CE 3.65Å; M134-M193 HydrophobicContact SD-CE 4.5Å; M134-M196 HydrophobicContact CE-CE 4.38Å; M134-M196 HydrophobicContact SD-CE 3.79Å; M134-M196 HydrophobicContact SD-CG 4.42Å; M134-A197 HydrophobicContact CG-CB 4.09Å
135K95.1Very high94Very high117 Ų11749.2 Ų49.251%0.50926%0.263SS..EExtended strand (participates in β ladder)trans-94128.6171.3-175.8-175.2175.2-171.10109.2G126 E127 Q129G126-K135 CarbonylContact C-O 3.54Å; G126-K135 WeakPolarHBondContact CA-O 3.41Å; E127-K135 PolarHBondContact N-O 2.97Å; E127-K135 PolarHBondContact O-N 3.32Å; Q129-K135 HydrophobicContact CG-CB 3.84Å; Q129-K135 VanDerWaalsContact NE2-CB 3.33Å
136F96.4Very high93.9Very high54 Ų5449.7 Ų49.724%0.23727%0.267CS..EExtended strand (participates in β ladder)trans-62.7136.2173.4176.9-103.8000111.1C124 R138 D155 E189 M193C124-F136 HydrophobicContact CB-CE2 4.38Å; F136-R138 WeakPolarHBondContact CE2-O 3.44Å; F136-D155 WeakPolarHBondContact CZ-OD2 3.39Å; F136-E189 HydrophobicContact CD1-CG 4.23Å; F136-E189 HydrophobicContact CD2-CG 4.46Å; F136-E189 HydrophobicContact CE1-CG 3.76Å; F136-E189 HydrophobicContact CE2-CB 4.38Å; F136-E189 HydrophobicContact CE2-CG 4.01Å; F136-E189 HydrophobicContact CZ-CB 4.45Å; F136-E189 HydrophobicContact CZ-CG 3.61Å; F136-M193 HydrophobicContact CB-CE 4.29Å; F136-M193 HydrophobicContact CB-CG 4.39Å; F136-M193 HydrophobicContact CB-SD 4.36Å; F136-M193 HydrophobicContact CD2-CG 3.87Å; F136-M193 HydrophobicContact CD2-SD 3.9Å
137V96.4Very high93.8Very high59 Ų5952.6 Ų52.636%0.35830%0.297SS..EExtended strand (participates in β ladder)trans-110.9-53.7176.7175.90000110.5E125 E127E125-V137 HydrophobicContact CB-CB 4.32Å; E125-V137 WeakPolarHBondContact O-CB 3.3Å; E125-V137 PolarHBondContact O-N 3.49Å; E127-V137 HydrophobicContact CB-CG2 4.05Å; E127-V137 HydrophobicContact CG-CG2 3.67Å
138R95.9Very high93.9Very high110 Ų11054.4 Ų54.442%0.41531%0.314SS..EExtended strand (participates in β ladder)trans-161.3152.617765.7179-170.2111.9-0.3112.3C124 E125 F136C124-R138 CarbonylContact C-O 3.49Å; C124-R138 WeakPolarHBondContact CA-O 3.34Å; E125-R138 HydrophobicContact CB-CG 4Å; E125-R138 HydrophobicContact CG-CG 4.2Å; E125-R138 PolarHBondContact N-O 3Å; E125-R138 PolarHBondContact O-N 2.97Å; E125-R138 IonicContact OE1-CZ 3.66Å; E125-R138 VanDerWaalsContact OE1-CZ 3.3Å; E125-R138 IonicContact OE1-NE 3.8Å; E125-R138 PolarHBondContact OE1-NE 3.4Å; E125-R138 IonicContact OE1-NH2 2.78Å; E125-R138 PolarHBondContact OE1-NH2 2.86Å; E125-R138 IonicContact OE2-CZ 2.61Å; E125-R138 IonicContact OE2-NE 3.51Å; E125-R138 PolarHBondContact OE2-NE 2.87Å; E125-R138 IonicContact OE2-NH2 3.69Å; F136-R138 WeakPolarHBondContact CE2-O 3.44Å
139G96.3Very high94.2Very high14 Ų1458.2 Ų58.214%0.14433%0.333CS..EExtended strand (participates in β ladder)trans-96.4156.4166.700000111
140M95.8Very high94.5Very high16 Ų1656.3 Ų56.38%0.07932%0.324CS..EExtended strand (participates in β ladder)trans-133.5131.1168.545.1166.564.900108.6T28 M121 H122 G123 L188T28-M140 HydrophobicContact CG2-SD 3.72Å; M121-M140 HydrophobicContact CG-SD 3.9Å; M121-M140 HydrophobicContact SD-CE 4.38Å; M121-M140 HydrophobicContact SD-SD 3.86Å; H122-M140 CarbonylContact C-O 3.5Å; H122-M140 WeakPolarHBondContact CA-O 3.46Å; G123-M140 PolarHBondContact N-O 3.32Å; G123-M140 VanDerWaalsContact O-CG 3.31Å; G123-M140 WeakPolarHBondContact O-CG 3.41Å; G123-M140 PolarHBondContact O-N 3.35Å; M140-L188 WeakPolarHBondContact O-CD2 3.47Å
141D97.8Very high95.1Very high8 Ų850.9 Ų50.94%0.04329%0.289CS..EExtended strand (participates in β ladder)trans-145.699.4167.7-169.8-29000106.6W120 M121 H122 S152 F153 T184 L188W120-D141 PolarHBondContact NE1-OD1 3.47Å; M121-D141 WeakPolarHBondContact O-CA 3.19Å; H122-D141 HydrophobicContact CB-CB 4.28Å; D141-S152 CarbonylContact O-C 3.56Å; D141-S152 VanDerWaalsContact O-CA 3.23Å; D141-S152 WeakPolarHBondContact O-CA 3.45Å; D141-F153 HydrophobicContact CB-CB 3.96Å; D141-F153 PolarHBondContact O-N 3.47Å; D141-T184 HydrophobicContact CB-CG2 4.24Å; D141-T184 WeakPolarHBondContact OD2-CG2 3.38Å; D141-L188 HydrophobicContact CB-CD1 4.2Å
142M97.9Very high95.6Very high58 Ų5847.1 Ų47.129%0.28627%0.272SS..EExtended strand (participates in β ladder)trans-135.1133-165.2-64.3172.929.400110.7W120 M121W120-M142 CarbonylContact C-O 3.44Å; W120-M142 WeakPolarHBondContact CA-O 3.49Å; M121-M142 PolarHBondContact N-O 3.05Å; M121-M142 PolarHBondContact O-N 2.83Å
143Y98.1Very high96.3Very high17 Ų1746.1 Ų46.17%0.06726%0.257CS..EExtended strand (participates in β ladder)trans-108.9131.8172.7-65-92.9000109.6W96 Q119 W120 F150 L151 W160 W174W96-Y143 HydrophobicContact CH2-CD1 4.47Å; W96-Y143 AromaticContact CH2-CE1 3.72Å; W96-Y143 HydrophobicContact CH2-CE1 3.72Å; W96-Y143 HydrophobicContact CZ3-CE1 4.12Å; Q119-Y143 CarbonylContact O-C 3.53Å; Q119-Y143 VanDerWaalsContact O-CA 3.26Å; Q119-Y143 WeakPolarHBondContact O-CA 3.43Å; W120-Y143 HydrophobicContact CB-CD1 3.89Å; W120-Y143 HydrophobicContact CB-CE1 3.74Å; W120-Y143 AromaticContact CD1-CD1 3.92Å; W120-Y143 AromaticContact CD1-CE1 3.53Å; W120-Y143 AromaticContact CD1-CE2 3.68Å; W120-Y143 AromaticContact CD1-CZ 3.4Å; W120-Y143 HydrophobicContact CD2-CE1 4.01Å; W120-Y143 AromaticContact CE2-CZ 3.86Å; W120-Y143 HydrophobicContact CG-CD1 4Å; W120-Y143 AromaticContact CG-CE1 3.49Å; W120-Y143 HydrophobicContact CG-CE1 3.49Å; W120-Y143 VanDerWaalsContact CG-CE1 3.49Å; W120-Y143 HydrophobicContact CG-CE2 4.44Å; W120-Y143 AromaticContact CG-CZ 3.75Å; W120-Y143 AromaticContact NE1-CE2 3.7Å; W120-Y143 AromaticContact NE1-CZ 3.45Å; W120-Y143 PolarHBondContact NE1-OH 2.83Å; Y143-F150 WeakPolarHBondContact O-CA 3.27Å; Y143-F150 WeakPolarHBondContact O-CB 3.41Å; Y143-F150 PolarHBondContact O-N 3.34Å; Y143-L151 HydrophobicContact CD2-CB 4.35Å; Y143-L151 PolarHBondContact N-O 3.2Å; Y143-L151 PolarHBondContact O-N 3.29Å; Y143-W160 HydrophobicContact CD2-CZ3 4.45Å; Y143-W160 HydrophobicContact CE2-CH2 4.34Å; Y143-W160 HydrophobicContact CE2-CZ3 4.07Å; Y143-W174 AromaticContact CE2-CH2 3.94Å; Y143-W174 HydrophobicContact CE2-CH2 3.94Å; Y143-W174 AromaticContact CE2-CZ3 3.72Å; Y143-W174 HydrophobicContact CE2-CZ3 3.72Å; Y143-W174 AromaticContact CZ-CH2 3.84Å
144N97.8Very high96.6Very high22 Ų2244.8 Ų44.812%0.11825%0.247CC..EExtended strand (participates in β ladder)trans-119.5141174.4-65.393.6000109.7Q119 S148 D149Q119-N144 HydrophobicContact CB-CB 4.29Å; Q119-N144 PolarHBondContact N-O 2.87Å; Q119-N144 PolarHBondContact O-N 3.26Å; N144-S148 CarbonylContact C-O 3.59Å; N144-S148 WeakPolarHBondContact CA-O 3.46Å; N144-S148 WeakPolarHBondContact CB-O 3.39Å; N144-S148 PolarHBondContact ND2-O 3.49Å; N144-D149 WeakPolarHBondContact ND2-CA 3.38Å; N144-D149 PolarHBondContact ND2-N 2.96Å; N144-D149 PolarHBondContact ND2-OD1 3.47Å
145Y97.3Very high96.6Very high8 Ų843.7 Ų43.73%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-129.5127.4177.8-173.3-107.1000110.2I101 L104 M105 M108 Q110 H116 I117 L118 G147 S148I101-Y145 HydrophobicContact CG1-CE2 4.38Å; L104-Y145 HydrophobicContact CB-CE2 4.4Å; L104-Y145 HydrophobicContact CD2-CD1 4.25Å; L104-Y145 HydrophobicContact CD2-CD2 3.18Å; L104-Y145 HydrophobicContact CD2-CE2 3.57Å; L104-Y145 HydrophobicContact CD2-CG 3.54Å; L104-Y145 HydrophobicContact CG-CD1 4.38Å; L104-Y145 HydrophobicContact CG-CD2 3.88Å; L104-Y145 HydrophobicContact CG-CE1 4.32Å; L104-Y145 HydrophobicContact CG-CE2 3.78Å; L104-Y145 HydrophobicContact CG-CG 4.14Å; M105-Y145 WeakPolarHBondContact CG-OH 3.42Å; M108-Y145 HydrophobicContact CB-CE1 4.35Å; M108-Y145 HydrophobicContact CE-CD1 4.24Å; M108-Y145 HydrophobicContact CE-CE1 4.36Å; M108-Y145 HydrophobicContact CG-CD1 4.2Å; M108-Y145 HydrophobicContact CG-CE1 3.75Å; Q110-Y145 VanDerWaalsContact OE1-CZ 3.29Å; Q110-Y145 PolarHBondContact OE1-OH 3.33Å; H116-Y145 HydrophobicContact CB-CE2 4.08Å; H116-Y145 WeakPolarHBondContact CB-OH 3.5Å; I117-Y145 WeakPolarHBondContact O-CA 3.49Å; I117-Y145 WeakPolarHBondContact O-CD2 3.41Å; L118-Y145 HydrophobicContact CB-CD2 4.33Å; L118-Y145 HydrophobicContact CD1-CD2 4.29Å; Y145-G147 PolarHBondContact O-N 3.29Å; Y145-G147 VanDerWaalsContact O-N 3.15Å; Y145-S148 PolarHBondContact N-O 2.97Å; Y145-S148 PolarHBondContact O-N 3.49Å
146D95.9Very high96.5Very high63 Ų6344.4 Ų44.434%0.33725%0.252SS..THydrogen-bonded Turntrans48.938.6-175-64.8-18.7000112.9Q110 H116 I117 S148Q110-D146 PolarHBondContact NE2-OD2 2.91Å; H116-D146 WeakPolarHBondContact CA-OD1 3.42Å; H116-D146 WeakPolarHBondContact CB-OD1 3.33Å; H116-D146 IonicContact CE1-OD2 2.96Å; H116-D146 IonicContact CG-OD1 3.04Å; H116-D146 IonicContact CG-OD2 3.52Å; H116-D146 IonicContact ND1-OD1 3.97Å; H116-D146 PolarHBondContact ND1-OD1 3.34Å; H116-D146 IonicContact ND1-OD2 2.7Å; H116-D146 PolarHBondContact ND1-OD2 2.95Å; I117-D146 PolarHBondContact N-OD1 3.28Å; I117-D146 PolarHBondContact O-N 2.87Å; D146-S148 VanDerWaalsContact C-N 3.3Å; D146-S148 PolarHBondContact O-N 3.34Å
147G94.6Very high96.4Very high63 Ų6348.3 Ų48.365%0.64927%0.27SS*.THydrogen-bonded Turntrans791.8179.300000115.7Y145Y145-G147 PolarHBondContact O-N 3.29Å; Y145-G147 VanDerWaalsContact O-N 3.15Å
148S96.6Very high96.3Very high79 Ų7948.9 Ų48.955%0.55227%0.269SS*.EExtended strand (participates in β ladder)trans-108.6153.1178.1-59.80000111.9N144 Y145 D146 F150N144-S148 CarbonylContact C-O 3.59Å; N144-S148 WeakPolarHBondContact CA-O 3.46Å; N144-S148 WeakPolarHBondContact CB-O 3.39Å; N144-S148 PolarHBondContact ND2-O 3.49Å; Y145-S148 PolarHBondContact N-O 2.97Å; Y145-S148 PolarHBondContact O-N 3.49Å; D146-S148 VanDerWaalsContact C-N 3.3Å; D146-S148 PolarHBondContact O-N 3.34Å; S148-F150 PolarHBondContact O-N 3.26Å
149D97.4Very high96.4Very high104 Ų10446 Ų4656%0.55626%0.264SS*.EExtended strand (participates in β ladder)trans-61.6129.5174.3-67.2-20.3000110.9N144 P163N144-D149 WeakPolarHBondContact ND2-CA 3.38Å; N144-D149 PolarHBondContact ND2-N 2.96Å; N144-D149 PolarHBondContact ND2-OD1 3.47Å; D149-P163 HydrophobicContact CB-CG 4.05Å; D149-P163 WeakPolarHBondContact O-CG 3.21Å
150F97.1Very high96.4Very high12 Ų1245.5 Ų45.55%0.05326%0.257CS..EExtended strand (participates in β ladder)trans-113.1-54.2-178.1179.7-102.8000112.6L104 Y143 S148 P163 I164 A166 A167L104-F150 HydrophobicContact CD1-CD2 4.18Å; L104-F150 HydrophobicContact CD1-CE1 4.19Å; L104-F150 HydrophobicContact CD1-CE2 3.36Å; L104-F150 HydrophobicContact CD1-CZ 3.36Å; L104-F150 HydrophobicContact CD2-CE1 4.43Å; L104-F150 HydrophobicContact CD2-CE2 4.39Å; L104-F150 HydrophobicContact CD2-CZ 4.33Å; Y143-F150 WeakPolarHBondContact O-CA 3.27Å; Y143-F150 WeakPolarHBondContact O-CB 3.41Å; Y143-F150 PolarHBondContact O-N 3.34Å; S148-F150 PolarHBondContact O-N 3.26Å; F150-P163 VanDerWaalsContact O-CD 3.25Å; F150-P163 WeakPolarHBondContact O-CD 3.45Å; F150-I164 HydrophobicContact CD2-CD1 3.69Å; F150-I164 HydrophobicContact CD2-CG1 4.13Å; F150-I164 HydrophobicContact CE2-CD1 3.99Å; F150-I164 HydrophobicContact CE2-CG1 4.34Å; F150-A166 HydrophobicContact CE2-CB 4.27Å; F150-A167 HydrophobicContact CD1-CB 4.35Å; F150-A167 HydrophobicContact CD2-CB 4.1Å; F150-A167 HydrophobicContact CE1-CB 4.04Å; F150-A167 HydrophobicContact CE2-CB 3.75Å; F150-A167 HydrophobicContact CG-CB 4.37Å; F150-A167 HydrophobicContact CZ-CB 3.72Å; F150-A167 WeakPolarHBondContact O-CB 3.35Å
151L98Very high96.5Very high4 Ų447.6 Ų47.62%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-152.2142-178.6-169.478.2000109Y143 W160 V161 A162 A167 T170 K171 W174Y143-L151 HydrophobicContact CD2-CB 4.35Å; Y143-L151 PolarHBondContact N-O 3.2Å; Y143-L151 PolarHBondContact O-N 3.29Å; L151-W160 HydrophobicContact CD1-CB 4.38Å; L151-W160 HydrophobicContact CD2-CD2 4.38Å; L151-W160 HydrophobicContact CD2-CE3 3.77Å; L151-W160 HydrophobicContact CD2-CZ3 4.24Å; L151-W160 HydrophobicContact CG-CE3 3.91Å; L151-V161 WeakPolarHBondContact CA-O 3.29Å; L151-V161 WeakPolarHBondContact CD1-O 3.5Å; L151-A162 HydrophobicContact CD1-CB 4.18Å; L151-A167 HydrophobicContact CD1-CB 4.11Å; L151-T170 HydrophobicContact CD2-CG2 3.68Å; L151-K171 HydrophobicContact CD1-CB 3.98Å; L151-W174 HydrophobicContact CD2-CE3 3.73Å; L151-W174 HydrophobicContact CD2-CZ3 3.75Å
152S98.2Very high96.6Very high37 Ų3748.4 Ų48.426%0.25928%0.279SS..EExtended strand (participates in β ladder)trans-142.9159.3174.655.50000112.2D141 W160 V161D141-S152 CarbonylContact O-C 3.56Å; D141-S152 VanDerWaalsContact O-CA 3.23Å; D141-S152 WeakPolarHBondContact O-CA 3.45Å; S152-W160 CarbonylContact O-C 3.46Å; S152-W160 WeakPolarHBondContact O-CA 3.49Å; S152-V161 PolarHBondContact N-O 3.34Å; S152-V161 PolarHBondContact O-N 2.96Å
153F98.3Very high96.5Very high14 Ų1449.1 Ų49.16%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-96.9121.8173.6-169.8-113.4000110.6D141 D155 Q158 W160 K181 T184 K185 L188D141-F153 HydrophobicContact CB-CB 3.96Å; D141-F153 PolarHBondContact O-N 3.47Å; F153-D155 HydrophobicContact CD1-CB 4.33Å; F153-D155 HydrophobicContact CE1-CB 4.46Å; F153-D155 PolarHBondContact O-N 3Å; F153-Q158 HydrophobicContact CZ-CB 4.29Å; F153-W160 HydrophobicContact CB-CD2 4.37Å; F153-W160 HydrophobicContact CB-CE3 3.98Å; F153-W160 HydrophobicContact CB-CH2 4.02Å; F153-W160 HydrophobicContact CB-CZ2 4.39Å; F153-W160 HydrophobicContact CB-CZ3 3.8Å; F153-W160 AromaticContact CD2-CD2 3.85Å; F153-W160 HydrophobicContact CD2-CD2 3.85Å; F153-W160 AromaticContact CD2-CE2 3.62Å; F153-W160 HydrophobicContact CD2-CE3 4.32Å; F153-W160 HydrophobicContact CD2-CG 4.23Å; F153-W160 HydrophobicContact CD2-CH2 4.42Å; F153-W160 AromaticContact CD2-CZ2 3.95Å; F153-W160 HydrophobicContact CD2-CZ2 3.95Å; F153-W160 AromaticContact CD2-NE1 3.85Å; F153-W160 HydrophobicContact CG-CZ2 4.44Å; F153-K181 HydrophobicContact CE2-CB 4.12Å; F153-K181 HydrophobicContact CE2-CG 4.12Å; F153-K181 HydrophobicContact CZ-CB 4.22Å; F153-T184 HydrophobicContact CB-CG2 4.28Å; F153-T184 HydrophobicContact CD1-CG2 3.56Å; F153-T184 HydrophobicContact CD2-CG2 4.34Å; F153-T184 HydrophobicContact CE1-CG2 3.86Å; F153-T184 HydrophobicContact CG-CG2 3.81Å; F153-T184 HydrophobicContact CZ-CG2 4.37Å; F153-K185 HydrophobicContact CE1-CB 4.21Å; F153-L188 HydrophobicContact CD1-CD1 4.05Å
154D96.8Very high96.4Very high46 Ų4651.3 Ų51.325%0.24630%0.3CS..EExtended strand (participates in β ladder)trans-82.499.3167.3-175.1-24.1000108.7N156 H157 Q158 V159 V161D154-N156 VanDerWaalsContact C-N 3.3Å; D154-N156 PolarHBondContact O-N 3.47Å; D154-N156 PolarHBondContact OD1-N 3.23Å; D154-N156 VanDerWaalsContact OD1-N 3.12Å; D154-H157 VanDerWaalsContact CG-ND1 3.28Å; D154-H157 PolarHBondContact O-N 3.01Å; D154-H157 IonicContact OD1-CG 3.9Å; D154-H157 PolarHBondContact OD1-N 3.4Å; D154-H157 VanDerWaalsContact OD1-N 3.15Å; D154-H157 IonicContact OD1-ND1 3.25Å; D154-H157 PolarHBondContact OD1-ND1 2.96Å; D154-H157 IonicContact OD2-CE1 3.72Å; D154-H157 IonicContact OD2-CG 3.65Å; D154-H157 IonicContact OD2-ND1 2.73Å; D154-H157 PolarHBondContact OD2-ND1 3Å; D154-Q158 VanDerWaalsContact O-CA 3.26Å; D154-Q158 WeakPolarHBondContact O-CA 3.29Å; D154-Q158 PolarHBondContact O-N 3.39Å; D154-V159 HydrophobicContact CB-CG2 4.09Å; D154-V159 WeakPolarHBondContact CB-O 3.38Å; D154-V159 PolarHBondContact N-O 3.1Å; D154-V159 PolarHBondContact O-N 3.15Å; D154-V161 HydrophobicContact CB-CG2 3.89Å
155D91.9Very high96.3Very high12 Ų1257.4 Ų57.46%0.06433%0.328CS..THydrogen-bonded Turntrans-64.4-32.1-176.2-174.252.6000113.5F136 F153 K185F136-D155 WeakPolarHBondContact CZ-OD2 3.39Å; F153-D155 HydrophobicContact CD1-CB 4.33Å; F153-D155 HydrophobicContact CE1-CB 4.46Å; F153-D155 PolarHBondContact O-N 3Å; D155-K185 PolarHBondContact O-NZ 2.86Å; D155-K185 WeakPolarHBondContact OD1-CG 3.44Å
156N92.1Very high96.2Very high133 Ų13357.8 Ų57.871%0.71133%0.332SS*.THydrogen-bonded Turntrans-70.4-44.6180-70.7-40.9000111.3D154D154-N156 VanDerWaalsContact C-N 3.3Å; D154-N156 PolarHBondContact O-N 3.47Å; D154-N156 PolarHBondContact OD1-N 3.23Å; D154-N156 VanDerWaalsContact OD1-N 3.12Å
157H94.4Very high96.3Very high136 Ų13654.8 Ų54.863%0.6332%0.316SS*.THydrogen-bonded Turntrans-94.8-5.6-177.4-57.9106.7000113.4D154 V159D154-H157 VanDerWaalsContact CG-ND1 3.28Å; D154-H157 PolarHBondContact O-N 3.01Å; D154-H157 IonicContact OD1-CG 3.9Å; D154-H157 PolarHBondContact OD1-N 3.4Å; D154-H157 VanDerWaalsContact OD1-N 3.15Å; D154-H157 IonicContact OD1-ND1 3.25Å; D154-H157 PolarHBondContact OD1-ND1 2.96Å; D154-H157 IonicContact OD2-CE1 3.72Å; D154-H157 IonicContact OD2-CG 3.65Å; D154-H157 IonicContact OD2-ND1 2.73Å; D154-H157 PolarHBondContact OD2-ND1 3Å; H157-V159 HydrophobicContact CB-CG2 3.93Å; H157-V159 PolarHBondContact O-N 3.49Å
158Q94.5Very high96.4Very high70 Ų7055 Ų5533%0.32730%0.301SS..THydrogen-bonded Turntrans52.251.4-175.9-58-173.5-74.500112.5F153 D154 K181 K185F153-Q158 HydrophobicContact CZ-CB 4.29Å; D154-Q158 VanDerWaalsContact O-CA 3.26Å; D154-Q158 WeakPolarHBondContact O-CA 3.29Å; D154-Q158 PolarHBondContact O-N 3.39Å; Q158-K181 VanDerWaalsContact O-CD 3.31Å; Q158-K181 WeakPolarHBondContact O-CD 3.35Å; Q158-K185 HydrophobicContact CG-CD 3.76Å
159V96.5Very high96.3Very high51 Ų5154.7 Ų54.731%0.30929%0.29SS..EExtended strand (participates in β ladder)trans-139.1150178.1-66.40000110.7D154 H157 D175D154-V159 HydrophobicContact CB-CG2 4.09Å; D154-V159 WeakPolarHBondContact CB-O 3.38Å; D154-V159 PolarHBondContact N-O 3.1Å; D154-V159 PolarHBondContact O-N 3.15Å; H157-V159 HydrophobicContact CB-CG2 3.93Å; H157-V159 PolarHBondContact O-N 3.49Å; V159-D175 WeakPolarHBondContact CA-OD1 3.34Å
160W98.1Very high96.2Very high2 Ų250.7 Ų50.71%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-77.7144.4170.9-67.693.1000110.4Y143 L151 S152 F153 K171 W174 D175Y143-W160 HydrophobicContact CD2-CZ3 4.45Å; Y143-W160 HydrophobicContact CE2-CH2 4.34Å; Y143-W160 HydrophobicContact CE2-CZ3 4.07Å; L151-W160 HydrophobicContact CD1-CB 4.38Å; L151-W160 HydrophobicContact CD2-CD2 4.38Å; L151-W160 HydrophobicContact CD2-CE3 3.77Å; L151-W160 HydrophobicContact CD2-CZ3 4.24Å; L151-W160 HydrophobicContact CG-CE3 3.91Å; S152-W160 CarbonylContact O-C 3.46Å; S152-W160 WeakPolarHBondContact O-CA 3.49Å; F153-W160 HydrophobicContact CB-CD2 4.37Å; F153-W160 HydrophobicContact CB-CE3 3.98Å; F153-W160 HydrophobicContact CB-CH2 4.02Å; F153-W160 HydrophobicContact CB-CZ2 4.39Å; F153-W160 HydrophobicContact CB-CZ3 3.8Å; F153-W160 AromaticContact CD2-CD2 3.85Å; F153-W160 HydrophobicContact CD2-CD2 3.85Å; F153-W160 AromaticContact CD2-CE2 3.62Å; F153-W160 HydrophobicContact CD2-CE3 4.32Å; F153-W160 HydrophobicContact CD2-CG 4.23Å; F153-W160 HydrophobicContact CD2-CH2 4.42Å; F153-W160 AromaticContact CD2-CZ2 3.95Å; F153-W160 HydrophobicContact CD2-CZ2 3.95Å; F153-W160 AromaticContact CD2-NE1 3.85Å; F153-W160 HydrophobicContact CG-CZ2 4.44Å; W160-K171 HydrophobicContact CB-CB 4.32Å; W160-K171 HydrophobicContact CB-CG 4.09Å; W160-K171 VanDerWaalsContact O-CD 3.22Å; W160-K171 WeakPolarHBondContact O-CD 3.14Å; W160-K171 VanDerWaalsContact O-CE 3.29Å; W160-K171 WeakPolarHBondContact O-CE 3.27Å; W160-K171 PolarHBondContact O-NZ 2.83Å; W160-W174 HydrophobicContact CD2-CB 4.46Å; W160-W174 AromaticContact CD2-CE3 3.68Å; W160-W174 HydrophobicContact CD2-CE3 3.68Å; W160-W174 HydrophobicContact CD2-CZ3 4.39Å; W160-W174 AromaticContact CE2-CE3 3.46Å; W160-W174 VanDerWaalsContact CE2-CE3 3.46Å; W160-W174 AromaticContact CE3-CE3 3.86Å; W160-W174 HydrophobicContact CE3-CE3 3.86Å; W160-W174 HydrophobicContact CE3-CZ3 4.14Å; W160-W174 HydrophobicContact CG-CB 4.11Å; W160-W174 HydrophobicContact CG-CE3 4.4Å; W160-W174 AromaticContact CH2-CE3 3.66Å; W160-W174 HydrophobicContact CH2-CE3 3.66Å; W160-W174 AromaticContact CH2-CZ3 3.52Å; W160-W174 HydrophobicContact CH2-CZ3 3.52Å; W160-W174 AromaticContact CZ2-CE3 3.46Å; W160-W174 HydrophobicContact CZ2-CE3 3.46Å; W160-W174 VanDerWaalsContact CZ2-CE3 3.46Å; W160-W174 AromaticContact CZ2-CZ3 3.8Å; W160-W174 HydrophobicContact CZ2-CZ3 3.8Å; W160-W174 AromaticContact CZ3-CE3 3.85Å; W160-W174 HydrophobicContact CZ3-CE3 3.85Å; W160-W174 AromaticContact CZ3-CZ3 3.71Å; W160-W174 HydrophobicContact CZ3-CZ3 3.71Å; W160-D175 VanDerWaalsContact CD1-OD1 3.3Å; W160-D175 PolarHBondContact N-OD1 3.37Å
161V98.1Very high96.2Very high60 Ų6053 Ų5336%0.36428%0.28SS..EExtended strand (participates in β ladder)trans-116.5124.2179.5-179.10000108.2L151 S152 D154 P163L151-V161 WeakPolarHBondContact CA-O 3.29Å; L151-V161 WeakPolarHBondContact CD1-O 3.5Å; S152-V161 PolarHBondContact N-O 3.34Å; S152-V161 PolarHBondContact O-N 2.96Å; D154-V161 HydrophobicContact CB-CG2 3.89Å; V161-P163 WeakPolarHBondContact O-CD 3.49Å
162A97.9Very high96.2Very high25 Ų2559 Ų5921%0.20730%0.302CS..  trans-110.897.1-179.300000109.6L151 I164 A167 E168 K171L151-A162 HydrophobicContact CD1-CB 4.18Å; A162-I164 PolarHBondContact O-N 3.42Å; A162-A167 HydrophobicContact CB-CB 3.77Å; A162-E168 HydrophobicContact CB-CG 4.31Å; A162-K171 HydrophobicContact CB-CB 3.95Å; A162-K171 HydrophobicContact CB-CD 3.79Å; A162-K171 HydrophobicContact CB-CG 4.49Å
163P97.1Very high96.1Very high74 Ų7462.7 Ų62.748%0.48131%0.314SS..SBendtrans-66-20.9177.124.8-36.8000114D149 F150 V161D149-P163 HydrophobicContact CB-CG 4.05Å; D149-P163 WeakPolarHBondContact O-CG 3.21Å; F150-P163 VanDerWaalsContact O-CD 3.25Å; F150-P163 WeakPolarHBondContact O-CD 3.45Å; V161-P163 WeakPolarHBondContact O-CD 3.49Å
164I96Very high96Very high63 Ų6364.8 Ų64.832%0.32332%0.321SS..SBendtrans-128.6152.5-179.469.5170.4000111.9M108 F150 A162 A166 A167M108-I164 HydrophobicContact CE-CD1 4.1Å; M108-I164 HydrophobicContact SD-CD1 4.09Å; F150-I164 HydrophobicContact CD2-CD1 3.69Å; F150-I164 HydrophobicContact CD2-CG1 4.13Å; F150-I164 HydrophobicContact CE2-CD1 3.99Å; F150-I164 HydrophobicContact CE2-CG1 4.34Å; A162-I164 PolarHBondContact O-N 3.42Å; I164-A166 HydrophobicContact CD1-CB 4.03Å; I164-A166 HydrophobicContact CG1-CB 4.32Å; I164-A166 PolarHBondContact O-N 3.33Å; I164-A167 HydrophobicContact CG1-CB 4.09Å; I164-A167 WeakPolarHBondContact O-CB 3.38Å; I164-A167 PolarHBondContact O-N 3.44Å
165H95.9Very high96Very high149 Ų14964.2 Ų64.269%0.6932%0.318SS*.Hα-helixtrans-56.5-35.5-179.4-179.3-91.7000113.2A167 E168H165-A167 PolarHBondContact O-N 3.09Å; H165-E168 IonicContact CD2-OE1 3.66Å; H165-E168 IonicContact CD2-OE2 2.64Å; H165-E168 WeakPolarHBondContact O-CB 3.29Å; H165-E168 PolarHBondContact O-N 2.97Å
166A95.5Very high96.3Very high16 Ų1671.1 Ų71.113%0.13235%0.35CS..Hα-helixtrans-65.9-17.6177.800000113.9R107 M108 F150 I164R107-A166 WeakPolarHBondContact CD-O 3.28Å; R107-A166 HydrophobicContact CG-CB 4.29Å; R107-A166 PolarHBondContact NH1-O 3.21Å; M108-A166 HydrophobicContact SD-CB 3.32Å; M108-A166 WeakPolarHBondContact SD-CB 3.43Å; F150-A166 HydrophobicContact CE2-CB 4.27Å; I164-A166 HydrophobicContact CD1-CB 4.03Å; I164-A166 HydrophobicContact CG1-CB 4.32Å; I164-A166 PolarHBondContact O-N 3.33Å
167A96.7Very high96.5Very high0 Ų068.1 Ų68.10%034%0.337CS..Hα-helixtrans-91.5-16.717700000113.2F150 L151 A162 I164 H165 E169 T170 K171F150-A167 HydrophobicContact CD1-CB 4.35Å; F150-A167 HydrophobicContact CD2-CB 4.1Å; F150-A167 HydrophobicContact CE1-CB 4.04Å; F150-A167 HydrophobicContact CE2-CB 3.75Å; F150-A167 HydrophobicContact CG-CB 4.37Å; F150-A167 HydrophobicContact CZ-CB 3.72Å; F150-A167 WeakPolarHBondContact O-CB 3.35Å; L151-A167 HydrophobicContact CD1-CB 4.11Å; A162-A167 HydrophobicContact CB-CB 3.77Å; I164-A167 HydrophobicContact CG1-CB 4.09Å; I164-A167 WeakPolarHBondContact O-CB 3.38Å; I164-A167 PolarHBondContact O-N 3.44Å; H165-A167 PolarHBondContact O-N 3.09Å; A167-E169 VanDerWaalsContact C-N 3.3Å; A167-E169 PolarHBondContact O-N 3.4Å; A167-T170 PolarHBondContact O-N 3.21Å; A167-K171 PolarHBondContact O-N 3.35Å
168E96.6Very high96.6Very high68 Ų6865.8 Ų65.832%0.31833%0.326SS..Hα-helixtrans-60.1-37-174.6-68.8180-169.100113.6A162 H165 T170 K171 R172A162-E168 HydrophobicContact CB-CG 4.31Å; H165-E168 IonicContact CD2-OE1 3.66Å; H165-E168 IonicContact CD2-OE2 2.64Å; H165-E168 WeakPolarHBondContact O-CB 3.29Å; H165-E168 PolarHBondContact O-N 2.97Å; E168-T170 VanDerWaalsContact C-N 3.32Å; E168-T170 PolarHBondContact O-N 3.35Å; E168-K171 PolarHBondContact O-N 2.9Å; E168-R172 WeakPolarHBondContact O-CG 3.39Å; E168-R172 PolarHBondContact O-N 2.58Å; E168-R172 IonicContact OE2-NH1 3.34Å; E168-R172 PolarHBondContact OE2-NH1 3.37Å
169E94.8Very high96.7Very high72 Ų7267.6 Ų67.634%0.33634%0.341SS..Hα-helixtrans-62.8-41.8177.4-165.5-156.6146.900111.2R107 A167 K173R107-E169 IonicContact CZ-OE2 3.46Å; R107-E169 IonicContact NE-OE2 3.67Å; R107-E169 PolarHBondContact NE-OE2 3.05Å; R107-E169 VanDerWaalsContact NH2-CD 3.27Å; R107-E169 IonicContact NH2-OE1 2.79Å; R107-E169 IonicContact NH2-OE2 3.43Å; R107-E169 PolarHBondContact NH2-OE2 2.78Å; A167-E169 VanDerWaalsContact C-N 3.3Å; A167-E169 PolarHBondContact O-N 3.4Å; E169-K173 WeakPolarHBondContact O-CG 3.46Å; E169-K173 PolarHBondContact O-N 3.15Å; E169-K173 WeakPolarHBondContact OE1-CE 3.04Å; E169-K173 IonicContact OE1-NZ 3.55Å; E169-K173 PolarHBondContact OE1-NZ 3.27Å
170T95.7Very high96.7Very high21 Ų2167.6 Ų67.613%0.12934%0.339CS..Hα-helixtrans-68.3-44.4176.1-57.20000110.6R107 L151 A167 E168 R172 K173 W174R107-T170 PolarHBondContact NH1-OG1 3.44Å; L151-T170 HydrophobicContact CD2-CG2 3.68Å; A167-T170 PolarHBondContact O-N 3.21Å; E168-T170 VanDerWaalsContact C-N 3.32Å; E168-T170 PolarHBondContact O-N 3.35Å; T170-R172 PolarHBondContact O-N 3.3Å; T170-K173 PolarHBondContact O-N 2.87Å; T170-W174 HydrophobicContact CG2-CD2 3.75Å; T170-W174 HydrophobicContact CG2-CE3 4.2Å; T170-W174 HydrophobicContact CG2-CG 4.13Å; T170-W174 HydrophobicContact CG2-CH2 4.44Å; T170-W174 HydrophobicContact CG2-CZ2 3.98Å; T170-W174 WeakPolarHBondContact O-CB 3.45Å; T170-W174 PolarHBondContact O-N 3.19Å
171K97.3Very high96.6Very high61 Ų6168.9 Ų68.927%0.26535%0.345SS..Hα-helixtrans-52.3-54.4175.1167.7175.2165.751.10111.5L151 W160 A162 A167 E168 K173 W174 D175L151-K171 HydrophobicContact CD1-CB 3.98Å; W160-K171 HydrophobicContact CB-CB 4.32Å; W160-K171 HydrophobicContact CB-CG 4.09Å; W160-K171 VanDerWaalsContact O-CD 3.22Å; W160-K171 WeakPolarHBondContact O-CD 3.14Å; W160-K171 VanDerWaalsContact O-CE 3.29Å; W160-K171 WeakPolarHBondContact O-CE 3.27Å; W160-K171 PolarHBondContact O-NZ 2.83Å; A162-K171 HydrophobicContact CB-CB 3.95Å; A162-K171 HydrophobicContact CB-CD 3.79Å; A162-K171 HydrophobicContact CB-CG 4.49Å; A167-K171 PolarHBondContact O-N 3.35Å; E168-K171 PolarHBondContact O-N 2.9Å; K171-K173 PolarHBondContact O-N 3.07Å; K171-W174 PolarHBondContact O-N 3.06Å; K171-D175 VanDerWaalsContact CG-OD2 3.29Å; K171-D175 WeakPolarHBondContact CG-OD2 3.42Å; K171-D175 IonicContact NZ-OD2 3.85Å; K171-D175 PolarHBondContact NZ-OD2 2.92Å; K171-D175 WeakPolarHBondContact O-CB 3.38Å; K171-D175 PolarHBondContact O-N 2.91Å
172R97.4Very high96.5Very high128 Ų12870.9 Ų70.948%0.48335%0.35SS..Hα-helixtrans-56.8-49.7-179.8-72.9-173-66.4-95.10.8111.6E168 T170 W174 D175 E176E168-R172 WeakPolarHBondContact O-CG 3.39Å; E168-R172 PolarHBondContact O-N 2.58Å; E168-R172 IonicContact OE2-NH1 3.34Å; E168-R172 PolarHBondContact OE2-NH1 3.37Å; T170-R172 PolarHBondContact O-N 3.3Å; R172-W174 VanDerWaalsContact C-N 3.31Å; R172-W174 PolarHBondContact O-N 3.34Å; R172-D175 PolarHBondContact O-N 2.88Å; R172-E176 VanDerWaalsContact O-CG 3.28Å; R172-E176 WeakPolarHBondContact O-CG 3.29Å; R172-E176 PolarHBondContact O-N 2.94Å; R172-E176 VanDerWaalsContact O-N 3.17Å
173K96.1Very high96.4Very high116 Ų11676.5 Ų76.550%0.50437%0.367SS..Hα-helixtrans-58.1-41.8178.8-77.1174.5171.1173.20112.7E169 T170 K171 V177E169-K173 WeakPolarHBondContact O-CG 3.46Å; E169-K173 PolarHBondContact O-N 3.15Å; E169-K173 WeakPolarHBondContact OE1-CE 3.04Å; E169-K173 IonicContact OE1-NZ 3.55Å; E169-K173 PolarHBondContact OE1-NZ 3.27Å; T170-K173 PolarHBondContact O-N 2.87Å; K171-K173 PolarHBondContact O-N 3.07Å; K173-V177 WeakPolarHBondContact O-CG2 3.11Å
174W97Very high96.3Very high57 Ų5773.4 Ų73.422%0.21635%0.347CS..Hα-helixtrans-81.7-32.2-175.9-70.69.3000112.5W96 Y143 L151 W160 T170 K171 R172 E176 V177 L180W96-W174 HydrophobicContact CZ2-CH2 4.46Å; W96-W174 HydrophobicContact CZ2-CZ2 4.35Å; Y143-W174 AromaticContact CE2-CH2 3.94Å; Y143-W174 HydrophobicContact CE2-CH2 3.94Å; Y143-W174 AromaticContact CE2-CZ3 3.72Å; Y143-W174 HydrophobicContact CE2-CZ3 3.72Å; Y143-W174 AromaticContact CZ-CH2 3.84Å; L151-W174 HydrophobicContact CD2-CE3 3.73Å; L151-W174 HydrophobicContact CD2-CZ3 3.75Å; W160-W174 HydrophobicContact CD2-CB 4.46Å; W160-W174 AromaticContact CD2-CE3 3.68Å; W160-W174 HydrophobicContact CD2-CE3 3.68Å; W160-W174 HydrophobicContact CD2-CZ3 4.39Å; W160-W174 AromaticContact CE2-CE3 3.46Å; W160-W174 VanDerWaalsContact CE2-CE3 3.46Å; W160-W174 AromaticContact CE3-CE3 3.86Å; W160-W174 HydrophobicContact CE3-CE3 3.86Å; W160-W174 HydrophobicContact CE3-CZ3 4.14Å; W160-W174 HydrophobicContact CG-CB 4.11Å; W160-W174 HydrophobicContact CG-CE3 4.4Å; W160-W174 AromaticContact CH2-CE3 3.66Å; W160-W174 HydrophobicContact CH2-CE3 3.66Å; W160-W174 AromaticContact CH2-CZ3 3.52Å; W160-W174 HydrophobicContact CH2-CZ3 3.52Å; W160-W174 AromaticContact CZ2-CE3 3.46Å; W160-W174 HydrophobicContact CZ2-CE3 3.46Å; W160-W174 VanDerWaalsContact CZ2-CE3 3.46Å; W160-W174 AromaticContact CZ2-CZ3 3.8Å; W160-W174 HydrophobicContact CZ2-CZ3 3.8Å; W160-W174 AromaticContact CZ3-CE3 3.85Å; W160-W174 HydrophobicContact CZ3-CE3 3.85Å; W160-W174 AromaticContact CZ3-CZ3 3.71Å; W160-W174 HydrophobicContact CZ3-CZ3 3.71Å; T170-W174 HydrophobicContact CG2-CD2 3.75Å; T170-W174 HydrophobicContact CG2-CE3 4.2Å; T170-W174 HydrophobicContact CG2-CG 4.13Å; T170-W174 HydrophobicContact CG2-CH2 4.44Å; T170-W174 HydrophobicContact CG2-CZ2 3.98Å; T170-W174 WeakPolarHBondContact O-CB 3.45Å; T170-W174 PolarHBondContact O-N 3.19Å; K171-W174 PolarHBondContact O-N 3.06Å; R172-W174 VanDerWaalsContact C-N 3.31Å; R172-W174 PolarHBondContact O-N 3.34Å; W174-E176 VanDerWaalsContact C-N 3.3Å; W174-E176 PolarHBondContact O-N 3.43Å; W174-V177 PolarHBondContact O-N 3.26Å; W174-L180 HydrophobicContact CB-CD2 3.71Å; W174-L180 HydrophobicContact CD2-CD2 3.92Å; W174-L180 HydrophobicContact CE3-CD2 4.38Å; W174-L180 HydrophobicContact CG-CD2 3.63Å
175D96.9Very high96.4Very high34 Ų3472.1 Ų72.118%0.18234%0.339CS..Hα-helixtrans-66.8-31.2175-79.6-24.4000113.1V159 W160 K171 R172 V177 K181V159-D175 WeakPolarHBondContact CA-OD1 3.34Å; W160-D175 VanDerWaalsContact CD1-OD1 3.3Å; W160-D175 PolarHBondContact N-OD1 3.37Å; K171-D175 VanDerWaalsContact CG-OD2 3.29Å; K171-D175 WeakPolarHBondContact CG-OD2 3.42Å; K171-D175 IonicContact NZ-OD2 3.85Å; K171-D175 PolarHBondContact NZ-OD2 2.92Å; K171-D175 WeakPolarHBondContact O-CB 3.38Å; K171-D175 PolarHBondContact O-N 2.91Å; R172-D175 PolarHBondContact O-N 2.88Å; D175-V177 VanDerWaalsContact C-N 3.25Å; D175-V177 PolarHBondContact O-N 2.95Å; D175-K181 VanDerWaalsContact O-CE 3.26Å; D175-K181 WeakPolarHBondContact O-CE 3.34Å; D175-K181 PolarHBondContact O-NZ 3.24Å
176E97.1Very high96.4Very high157 Ų15766.5 Ų66.573%0.73432%0.321SS*.THydrogen-bonded Turntrans-71.8-17.4175.6-73.9170.4-166.600112.9R172 W174 Q178R172-E176 VanDerWaalsContact O-CG 3.28Å; R172-E176 WeakPolarHBondContact O-CG 3.29Å; R172-E176 PolarHBondContact O-N 2.94Å; R172-E176 VanDerWaalsContact O-N 3.17Å; W174-E176 VanDerWaalsContact C-N 3.3Å; W174-E176 PolarHBondContact O-N 3.43Å; E176-Q178 PolarHBondContact O-N 3.26Å
177V97.4Very high96.5Very high71 Ų7167.2 Ų67.243%0.4332%0.321SS..  trans-97.891.4-179.3-175.80000109.6K173 W174 D175 V179 L180 K181K173-V177 WeakPolarHBondContact O-CG2 3.11Å; W174-V177 PolarHBondContact O-N 3.26Å; D175-V177 VanDerWaalsContact C-N 3.25Å; D175-V177 PolarHBondContact O-N 2.95Å; V177-V179 VanDerWaalsContact C-N 3.33Å; V177-V179 PolarHBondContact O-N 3.41Å; V177-L180 HydrophobicContact CB-CB 3.98Å; V177-L180 HydrophobicContact CG1-CB 3.69Å; V177-L180 WeakPolarHBondContact O-CB 3.41Å; V177-L180 PolarHBondContact O-N 3.03Å; V177-L180 VanDerWaalsContact O-N 3.08Å; V177-K181 PolarHBondContact O-N 2.98Å
178Q95.7Very high96.5Very high87 Ų8767.3 Ų67.341%0.40732%0.321SS..Hα-helixtrans-56-44.6-177.1-174.759.126.300113.3E176 L180 K181 E182E176-Q178 PolarHBondContact O-N 3.26Å; Q178-L180 PolarHBondContact O-N 2.85Å; Q178-K181 PolarHBondContact O-N 2.89Å; Q178-K181 VanDerWaalsContact O-N 3.15Å; Q178-E182 VanDerWaalsContact CG-OE1 3.3Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.48Å; Q178-E182 PolarHBondContact NE2-OE1 3.46Å; Q178-E182 PolarHBondContact O-N 2.94Å
179V96.9Very high96.6Very high107 Ų10767.6 Ų67.665%0.64832%0.322SS*.Hα-helixtrans-59.4-34.3179.2177.50000112.1V177 Y183V177-V179 VanDerWaalsContact C-N 3.33Å; V177-V179 PolarHBondContact O-N 3.41Å; V179-Y183 WeakPolarHBondContact O-CB 3.4Å; V179-Y183 PolarHBondContact O-N 3.17Å
180L95.9Very high96.7Very high52 Ų5270.3 Ų70.327%0.27233%0.333SS..Hα-helixtrans-66.2-45.9178.3175.962.9000110.6W174 V177 Q178 Y183 T184W174-L180 HydrophobicContact CB-CD2 3.71Å; W174-L180 HydrophobicContact CD2-CD2 3.92Å; W174-L180 HydrophobicContact CE3-CD2 4.38Å; W174-L180 HydrophobicContact CG-CD2 3.63Å; V177-L180 HydrophobicContact CB-CB 3.98Å; V177-L180 HydrophobicContact CG1-CB 3.69Å; V177-L180 WeakPolarHBondContact O-CB 3.41Å; V177-L180 PolarHBondContact O-N 3.03Å; V177-L180 VanDerWaalsContact O-N 3.08Å; Q178-L180 PolarHBondContact O-N 2.85Å; L180-Y183 PolarHBondContact O-N 3.3Å; L180-T184 WeakPolarHBondContact O-CB 3.47Å; L180-T184 PolarHBondContact O-N 2.82Å; L180-T184 PolarHBondContact O-OG1 3.18Å; L180-T184 VanDerWaalsContact O-OG1 3.1Å
181K96.4Very high96.7Very high28 Ų2873.1 Ų73.112%0.12235%0.345CS..Hα-helixtrans-65.1-41.5179.8-61.2-177.8-69.6-179.70112.1F153 Q158 D175 V177 Q178 T184 K185F153-K181 HydrophobicContact CE2-CB 4.12Å; F153-K181 HydrophobicContact CE2-CG 4.12Å; F153-K181 HydrophobicContact CZ-CB 4.22Å; Q158-K181 VanDerWaalsContact O-CD 3.31Å; Q158-K181 WeakPolarHBondContact O-CD 3.35Å; D175-K181 VanDerWaalsContact O-CE 3.26Å; D175-K181 WeakPolarHBondContact O-CE 3.34Å; D175-K181 PolarHBondContact O-NZ 3.24Å; V177-K181 PolarHBondContact O-N 2.98Å; Q178-K181 PolarHBondContact O-N 2.89Å; Q178-K181 VanDerWaalsContact O-N 3.15Å; K181-T184 PolarHBondContact O-N 3.09Å; K181-K185 WeakPolarHBondContact O-CB 3.49Å; K181-K185 PolarHBondContact O-N 3.19Å
182E95.9Very high96.7Very high103 Ų10370.2 Ų70.248%0.48133%0.332SS..Hα-helixtrans-65-42.8176.3-72.5170.6-175.800111.6Q178 G186Q178-E182 VanDerWaalsContact CG-OE1 3.3Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.48Å; Q178-E182 PolarHBondContact NE2-OE1 3.46Å; Q178-E182 PolarHBondContact O-N 2.94Å; E182-G186 PolarHBondContact O-N 3.17Å
183Y95.4Very high96.8Very high143 Ų14364.9 Ų64.956%0.56131%0.313SS*.Hα-helixtrans-62.7-48.2175.1177.7-96.4000111.9V179 L180 G186 Y187V179-Y183 WeakPolarHBondContact O-CB 3.4Å; V179-Y183 PolarHBondContact O-N 3.17Å; L180-Y183 PolarHBondContact O-N 3.3Å; Y183-G186 PolarHBondContact O-N 3.17Å; Y183-Y187 WeakPolarHBondContact O-CB 3.45Å; Y183-Y187 PolarHBondContact O-N 2.83Å
184T96.4Very high96.8Very high8 Ų864.6 Ų64.65%0.04931%0.313CS..Hα-helixtrans-58.6-51.7177.8-65.20000110.5D141 F153 L180 K181 G186 Y187 L188D141-T184 HydrophobicContact CB-CG2 4.24Å; D141-T184 WeakPolarHBondContact OD2-CG2 3.38Å; F153-T184 HydrophobicContact CB-CG2 4.28Å; F153-T184 HydrophobicContact CD1-CG2 3.56Å; F153-T184 HydrophobicContact CD2-CG2 4.34Å; F153-T184 HydrophobicContact CE1-CG2 3.86Å; F153-T184 HydrophobicContact CG-CG2 3.81Å; F153-T184 HydrophobicContact CZ-CG2 4.37Å; L180-T184 WeakPolarHBondContact O-CB 3.47Å; L180-T184 PolarHBondContact O-N 2.82Å; L180-T184 PolarHBondContact O-OG1 3.18Å; L180-T184 VanDerWaalsContact O-OG1 3.1Å; K181-T184 PolarHBondContact O-N 3.09Å; T184-G186 PolarHBondContact O-N 3.07Å; T184-Y187 PolarHBondContact O-N 3.11Å; T184-L188 HydrophobicContact CG2-CD1 3.86Å; T184-L188 HydrophobicContact CG2-CG 4.42Å; T184-L188 VanDerWaalsContact O-CG 3.24Å; T184-L188 WeakPolarHBondContact O-CG 3.44Å; T184-L188 PolarHBondContact O-N 2.99Å
185K96.9Very high96.8Very high37 Ų3765.5 Ų65.516%0.16132%0.317CS..Hα-helixtrans-59.1-47.7177.5-179.7162.4-165144.30112.5F153 D155 Q158 K181 Y187 L188 E189F153-K185 HydrophobicContact CE1-CB 4.21Å; D155-K185 PolarHBondContact O-NZ 2.86Å; D155-K185 WeakPolarHBondContact OD1-CG 3.44Å; Q158-K185 HydrophobicContact CG-CD 3.76Å; K181-K185 WeakPolarHBondContact O-CB 3.49Å; K181-K185 PolarHBondContact O-N 3.19Å; K185-Y187 VanDerWaalsContact C-N 3.28Å; K185-Y187 PolarHBondContact O-N 2.84Å; K185-L188 PolarHBondContact O-N 2.91Å; K185-L188 VanDerWaalsContact O-N 3.14Å; K185-E189 WeakPolarHBondContact CE-OE1 3.26Å; K185-E189 WeakPolarHBondContact CE-OE2 3.49Å; K185-E189 HydrophobicContact CG-CG 4.17Å; K185-E189 IonicContact NZ-OE1 3.26Å; K185-E189 PolarHBondContact NZ-OE1 3.35Å; K185-E189 PolarHBondContact O-N 3.37Å
186G97.3Very high96.7Very high30 Ų3063.9 Ų63.931%0.30931%0.308SS..Hα-helixtrans-59.5-39179.500000112.6E182 Y183 T184 K190 E191E182-G186 PolarHBondContact O-N 3.17Å; Y183-G186 PolarHBondContact O-N 3.17Å; T184-G186 PolarHBondContact O-N 3.07Å; G186-K190 VanDerWaalsContact O-CB 3.27Å; G186-K190 WeakPolarHBondContact O-CB 3.34Å; G186-K190 PolarHBondContact O-N 3.18Å; G186-K190 VanDerWaalsContact O-N 3.14Å; G186-E191 PolarHBondContact O-N 3.29Å
187Y97Very high96.6Very high32 Ų3257.5 Ų57.513%0.12528%0.282CS..Iπ-helixtrans-64-49.2173176.5-94000111.8H122 Y183 T184 K185 E191 C192H122-Y187 AromaticContact CE1-CE1 3.4Å; H122-Y187 VanDerWaalsContact CE1-CE1 3.4Å; H122-Y187 WeakPolarHBondContact CE1-CE1 3.25Å; H122-Y187 AromaticContact CE1-CZ 3.56Å; H122-Y187 PolarHBondContact CE1-OH 3.22Å; H122-Y187 AromaticContact ND1-CD1 3.87Å; H122-Y187 AromaticContact ND1-CE1 3.27Å; H122-Y187 VanDerWaalsContact ND1-CE1 3.27Å; H122-Y187 WeakPolarHBondContact ND1-CE1 3.48Å; H122-Y187 AromaticContact ND1-CZ 3.93Å; Y183-Y187 WeakPolarHBondContact O-CB 3.45Å; Y183-Y187 PolarHBondContact O-N 2.83Å; T184-Y187 PolarHBondContact O-N 3.11Å; K185-Y187 VanDerWaalsContact C-N 3.28Å; K185-Y187 PolarHBondContact O-N 2.84Å; Y187-E191 HydrophobicContact CD2-CB 3.92Å; Y187-E191 HydrophobicContact CE2-CB 4.42Å; Y187-E191 PolarHBondContact O-N 3.38Å; Y187-C192 HydrophobicContact CE1-CB 4.18Å; Y187-C192 VanDerWaalsContact O-CB 3.24Å; Y187-C192 WeakPolarHBondContact O-CB 3.39Å; Y187-C192 PolarHBondContact O-N 2.98Å
188L97.4Very high96.4Very high1 Ų158.4 Ų58.41%0.00528%0.28CS..Iπ-helixtrans-66.8-47.5-174.4-63.5173.2000112.6G123 C124 M140 D141 F153 T184 K185G123-L188 WeakPolarHBondContact O-CD2 3.37Å; C124-L188 WeakPolarHBondContact CB-O 3.34Å; M140-L188 WeakPolarHBondContact O-CD2 3.47Å; D141-L188 HydrophobicContact CB-CD1 4.2Å; F153-L188 HydrophobicContact CD1-CD1 4.05Å; T184-L188 HydrophobicContact CG2-CD1 3.86Å; T184-L188 HydrophobicContact CG2-CG 4.42Å; T184-L188 VanDerWaalsContact O-CG 3.24Å; T184-L188 WeakPolarHBondContact O-CG 3.44Å; T184-L188 PolarHBondContact O-N 2.99Å; K185-L188 PolarHBondContact O-N 2.91Å; K185-L188 VanDerWaalsContact O-N 3.14Å
189E97.3Very high96.3Very high74 Ų7454.3 Ų54.335%0.34626%0.261SS..Iπ-helixtrans-80.2-28.4-175.6-69.3-169.9158.600113.3F136 K185 M193F136-E189 HydrophobicContact CD1-CG 4.23Å; F136-E189 HydrophobicContact CD2-CG 4.46Å; F136-E189 HydrophobicContact CE1-CG 3.76Å; F136-E189 HydrophobicContact CE2-CB 4.38Å; F136-E189 HydrophobicContact CE2-CG 4.01Å; F136-E189 HydrophobicContact CZ-CB 4.45Å; F136-E189 HydrophobicContact CZ-CG 3.61Å; K185-E189 WeakPolarHBondContact CE-OE1 3.26Å; K185-E189 WeakPolarHBondContact CE-OE2 3.49Å; K185-E189 HydrophobicContact CG-CG 4.17Å; K185-E189 IonicContact NZ-OE1 3.26Å; K185-E189 PolarHBondContact NZ-OE1 3.35Å; K185-E189 PolarHBondContact O-N 3.37Å; E189-M193 VanDerWaalsContact O-CG 3.26Å; E189-M193 WeakPolarHBondContact O-CG 3.39Å
190K96.6Very high96Very high129 Ų12950.2 Ų50.256%0.56123%0.234SC*.Iπ-helixtrans-117.9-69.3-172-171.7-176.7176.3-175.20113.2G186 C192 M193 E194G186-K190 VanDerWaalsContact O-CB 3.27Å; G186-K190 WeakPolarHBondContact O-CB 3.34Å; G186-K190 PolarHBondContact O-N 3.18Å; G186-K190 VanDerWaalsContact O-N 3.14Å; K190-C192 VanDerWaalsContact C-N 3.32Å; K190-C192 PolarHBondContact O-N 2.95Å; K190-M193 WeakPolarHBondContact O-CB 3.39Å; K190-M193 PolarHBondContact O-N 3.05Å; K190-M193 VanDerWaalsContact O-N 3.11Å; K190-E194 WeakPolarHBondContact CE-OE1 3.03Å; K190-E194 WeakPolarHBondContact CG-OE1 3.46Å; K190-E194 WeakPolarHBondContact O-CG 3.49Å; K190-E194 PolarHBondContact O-N 3.47Å
191E96.9Very high95.7Very high81 Ų8150.9 Ų50.938%0.37924%0.238SC..Iπ-helixtrans-60.9-43-170.9-63.4-174.4-163.900111.9G186 Y187 M193 E194 W195G186-E191 PolarHBondContact O-N 3.29Å; Y187-E191 HydrophobicContact CD2-CB 3.92Å; Y187-E191 HydrophobicContact CE2-CB 4.42Å; Y187-E191 PolarHBondContact O-N 3.38Å; E191-M193 PolarHBondContact O-N 3.25Å; E191-E194 PolarHBondContact O-N 2.84Å; E191-W195 PolarHBondContact O-N 2.86Å
192C97.9Very high95.4Very high0 Ų051.2 Ų51.20%024%0.239CC..Hα-helixtrans-61.5-43.9177178.70000111.5C124 Y187 K190 W195 M196C124-C192 HydrophobicContact CB-CB 3.75Å; C124-C192 WeakPolarHBondContact CB-SG 3.35Å; C124-C192 PolarHBondContact N-SG 3.42Å; C124-C192 WeakPolarHBondContact SG-CB 3.14Å; C124-C192 CovalentContact SG-SG 2.04Å; C124-C192 PolarHBondContact SG-SG 3.34Å; Y187-C192 HydrophobicContact CE1-CB 4.18Å; Y187-C192 VanDerWaalsContact O-CB 3.24Å; Y187-C192 WeakPolarHBondContact O-CB 3.39Å; Y187-C192 PolarHBondContact O-N 2.98Å; K190-C192 VanDerWaalsContact C-N 3.32Å; K190-C192 PolarHBondContact O-N 2.95Å; C192-W195 PolarHBondContact O-N 3Å; C192-M196 VanDerWaalsContact O-CB 3.28Å; C192-M196 WeakPolarHBondContact O-CB 3.39Å; C192-M196 PolarHBondContact O-N 3.37Å
193M97.6Very high94.6Very high15 Ų1546.9 Ų46.97%0.07422%0.222CC..Hα-helixtrans-64-41.8178.2-69.7-65.7-60.300112C124 M134 F136 E189 K190 E191 M196 A197C124-M193 HydrophobicContact CB-CG 4.45Å; C124-M193 HydrophobicContact CB-SD 4.14Å; C124-M193 PolarHBondContact SG-N 3.44Å; M134-M193 HydrophobicContact CB-CE 3.65Å; M134-M193 HydrophobicContact SD-CE 4.5Å; F136-M193 HydrophobicContact CB-CE 4.29Å; F136-M193 HydrophobicContact CB-CG 4.39Å; F136-M193 HydrophobicContact CB-SD 4.36Å; F136-M193 HydrophobicContact CD2-CG 3.87Å; F136-M193 HydrophobicContact CD2-SD 3.9Å; E189-M193 VanDerWaalsContact O-CG 3.26Å; E189-M193 WeakPolarHBondContact O-CG 3.39Å; K190-M193 WeakPolarHBondContact O-CB 3.39Å; K190-M193 PolarHBondContact O-N 3.05Å; K190-M193 VanDerWaalsContact O-N 3.11Å; E191-M193 PolarHBondContact O-N 3.25Å; M193-M196 HydrophobicContact CE-CE 3.86Å; M193-M196 PolarHBondContact O-N 3.43Å; M193-M196 HydrophobicContact SD-CE 3.36Å; M193-M196 WeakPolarHBondContact SD-CE 3.19Å; M193-A197 WeakPolarHBondContact O-CB 3.38Å; M193-A197 PolarHBondContact O-N 3.02Å
194E96.7Very high93.9Very high111 Ų11144 Ų4452%0.51921%0.212SC..Hα-helixtrans-61.9-46175.5-72.1174.8179.800111.5K190 E191 K198K190-E194 WeakPolarHBondContact CE-OE1 3.03Å; K190-E194 WeakPolarHBondContact CG-OE1 3.46Å; K190-E194 WeakPolarHBondContact O-CG 3.49Å; K190-E194 PolarHBondContact O-N 3.47Å; E191-E194 PolarHBondContact O-N 2.84Å; E194-K198 WeakPolarHBondContact O-CB 3.16Å; E194-K198 PolarHBondContact O-N 2.83Å; E194-K198 VanDerWaalsContact O-N 3.1Å
195W96.8Very high92.5Very high76 Ų7647.1 Ų47.129%0.28823%0.229SC..Hα-helixtrans-65.6-42.2176-82.9111.6000112.6L27 L78 Y82 E191 C192 K198 F199L27-W195 HydrophobicContact CD2-CB 3.83Å; L78-W195 HydrophobicContact CD2-CZ3 4.04Å; Y82-W195 AromaticContact CD2-CH2 3.59Å; Y82-W195 HydrophobicContact CD2-CH2 3.59Å; Y82-W195 HydrophobicContact CD2-CZ2 4.22Å; Y82-W195 HydrophobicContact CD2-CZ3 4.17Å; Y82-W195 AromaticContact CE2-CH2 3.58Å; Y82-W195 HydrophobicContact CE2-CH2 3.58Å; Y82-W195 HydrophobicContact CE2-CZ2 4.1Å; Y82-W195 AromaticContact CE2-CZ3 3.83Å; Y82-W195 HydrophobicContact CE2-CZ3 3.83Å; E191-W195 PolarHBondContact O-N 2.86Å; C192-W195 PolarHBondContact O-N 3Å; W195-K198 HydrophobicContact CE3-CD 4.18Å; W195-K198 HydrophobicContact CZ3-CD 4.06Å; W195-K198 PolarHBondContact O-N 3.47Å; W195-F199 HydrophobicContact CB-CE2 4.17Å; W195-F199 HydrophobicContact CD2-CZ 4.09Å; W195-F199 HydrophobicContact CE3-CD1 4.22Å; W195-F199 AromaticContact CE3-CE1 3.4Å; W195-F199 HydrophobicContact CE3-CE1 3.4Å; W195-F199 HydrophobicContact CE3-CE2 4.08Å; W195-F199 AromaticContact CE3-CZ 3.3Å; W195-F199 HydrophobicContact CE3-CZ 3.3Å; W195-F199 AromaticContact CZ3-CE1 3.64Å; W195-F199 HydrophobicContact CZ3-CE1 3.64Å; W195-F199 AromaticContact CZ3-CZ 3.8Å; W195-F199 HydrophobicContact CZ3-CZ 3.8Å; W195-F199 WeakPolarHBondContact O-CB 3.35Å; W195-F199 WeakPolarHBondContact O-CD2 3.2Å; W195-F199 VanDerWaalsContact O-CG 3.23Å; W195-F199 WeakPolarHBondContact O-CG 3.37Å; W195-F199 PolarHBondContact O-N 3.09Å
196M96.1Very high91Very high0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-60.6-46.9177.9-177.516957.300111.2H25 S26 L27 L52 M134 C192 M193 K198 F199 R200H25-M196 VanDerWaalsContact C-SD 3.54Å; H25-M196 HydrophobicContact CB-CE 4.46Å; H25-M196 HydrophobicContact CB-CG 4.21Å; H25-M196 HydrophobicContact CB-SD 3.66Å; S26-M196 VanDerWaalsContact C-SD 3.55Å; L27-M196 HydrophobicContact CB-CB 3.79Å; L27-M196 HydrophobicContact CB-CG 3.97Å; L27-M196 HydrophobicContact CB-SD 4.03Å; L27-M196 HydrophobicContact CD2-CB 4.12Å; L27-M196 PolarHBondContact N-SD 2.91Å; L27-M196 VanDerWaalsContact N-SD 3.41Å; L52-M196 HydrophobicContact CD1-CG 3.92Å; M134-M196 HydrophobicContact CE-CE 4.38Å; M134-M196 HydrophobicContact SD-CE 3.79Å; M134-M196 HydrophobicContact SD-CG 4.42Å; C192-M196 VanDerWaalsContact O-CB 3.28Å; C192-M196 WeakPolarHBondContact O-CB 3.39Å; C192-M196 PolarHBondContact O-N 3.37Å; M193-M196 HydrophobicContact CE-CE 3.86Å; M193-M196 PolarHBondContact O-N 3.43Å; M193-M196 HydrophobicContact SD-CE 3.36Å; M193-M196 WeakPolarHBondContact SD-CE 3.19Å; M196-K198 VanDerWaalsContact C-N 3.34Å; M196-K198 PolarHBondContact O-N 3.03Å; M196-F199 PolarHBondContact O-N 3.09Å; M196-R200 VanDerWaalsContact O-CB 3.27Å; M196-R200 WeakPolarHBondContact O-CB 3.37Å; M196-R200 PolarHBondContact O-N 2.92Å
197A94.1Very high89.6Confident22 Ų2249.6 Ų49.618%0.18224%0.235CC..Hα-helixtrans-59-45.9176.400000111.5M134 M193 R200 D201M134-A197 HydrophobicContact CG-CB 4.09Å; M193-A197 WeakPolarHBondContact O-CB 3.38Å; M193-A197 PolarHBondContact O-N 3.02Å; A197-R200 PolarHBondContact O-N 3.44Å; A197-D201 VanDerWaalsContact O-CG 3.23Å; A197-D201 PolarHBondContact O-N 3.17Å
198K93.9Very high88.1Confident91 Ų9155.1 Ų55.140%0.39627%0.266SS..Hα-helixtrans-62.1-46.8178.1-175.2175.5-179178.60112.4E194 W195 M196 D201 F202E194-K198 WeakPolarHBondContact O-CB 3.16Å; E194-K198 PolarHBondContact O-N 2.83Å; E194-K198 VanDerWaalsContact O-N 3.1Å; W195-K198 HydrophobicContact CE3-CD 4.18Å; W195-K198 HydrophobicContact CZ3-CD 4.06Å; W195-K198 PolarHBondContact O-N 3.47Å; M196-K198 VanDerWaalsContact C-N 3.34Å; M196-K198 PolarHBondContact O-N 3.03Å; K198-D201 PolarHBondContact O-N 2.91Å; K198-F202 HydrophobicContact CD-CE2 4.11Å; K198-F202 HydrophobicContact CD-CZ 4.02Å; K198-F202 HydrophobicContact CG-CD2 4.26Å; K198-F202 HydrophobicContact CG-CE1 4.09Å; K198-F202 HydrophobicContact CG-CE2 3.65Å; K198-F202 HydrophobicContact CG-CZ 3.57Å; K198-F202 VanDerWaalsContact O-CG 3.28Å; K198-F202 WeakPolarHBondContact O-CG 3.43Å; K198-F202 PolarHBondContact O-N 2.95Å
199F93.7Very high86.9Confident0 Ų062.6 Ų62.60%030%0.298CS..Hα-helixtrans-66.6-40.3178.9-68.5-22000112.7L27 L52 I57 W73 M74 L78 Y82 W195 M196 D201 F202 G203L27-F199 HydrophobicContact CD1-CD2 4.1Å; L27-F199 HydrophobicContact CD1-CE2 4.3Å; L27-F199 HydrophobicContact CD2-CD2 4.11Å; L27-F199 HydrophobicContact CD2-CE2 4.13Å; L52-F199 HydrophobicContact CD2-CB 3.95Å; I57-F199 HydrophobicContact CD1-CD2 3.66Å; I57-F199 HydrophobicContact CD1-CE2 3.76Å; I57-F199 HydrophobicContact CD1-CG 4.43Å; W73-F199 HydrophobicContact CH2-CB 3.61Å; W73-F199 HydrophobicContact CH2-CD1 4.09Å; W73-F199 AromaticContact CH2-CG 3.9Å; W73-F199 HydrophobicContact CH2-CG 3.9Å; W73-F199 HydrophobicContact CZ3-CB 3.87Å; W73-F199 AromaticContact CZ3-CD1 3.71Å; W73-F199 HydrophobicContact CZ3-CD1 3.71Å; W73-F199 AromaticContact CZ3-CG 3.99Å; W73-F199 HydrophobicContact CZ3-CG 3.99Å; M74-F199 HydrophobicContact CE-CE1 4.43Å; M74-F199 HydrophobicContact CE-CZ 4.39Å; M74-F199 HydrophobicContact SD-CD1 4.01Å; M74-F199 HydrophobicContact SD-CE1 3.88Å; M74-F199 HydrophobicContact SD-CZ 4.29Å; L78-F199 HydrophobicContact CD1-CE1 3.91Å; L78-F199 HydrophobicContact CD2-CE1 4.28Å; Y82-F199 HydrophobicContact CE2-CZ 4.45Å; Y82-F199 WeakPolarHBondContact OH-CZ 3.24Å; W195-F199 HydrophobicContact CB-CE2 4.17Å; W195-F199 HydrophobicContact CD2-CZ 4.09Å; W195-F199 HydrophobicContact CE3-CD1 4.22Å; W195-F199 AromaticContact CE3-CE1 3.4Å; W195-F199 HydrophobicContact CE3-CE1 3.4Å; W195-F199 HydrophobicContact CE3-CE2 4.08Å; W195-F199 AromaticContact CE3-CZ 3.3Å; W195-F199 HydrophobicContact CE3-CZ 3.3Å; W195-F199 AromaticContact CZ3-CE1 3.64Å; W195-F199 HydrophobicContact CZ3-CE1 3.64Å; W195-F199 AromaticContact CZ3-CZ 3.8Å; W195-F199 HydrophobicContact CZ3-CZ 3.8Å; W195-F199 WeakPolarHBondContact O-CB 3.35Å; W195-F199 WeakPolarHBondContact O-CD2 3.2Å; W195-F199 VanDerWaalsContact O-CG 3.23Å; W195-F199 WeakPolarHBondContact O-CG 3.37Å; W195-F199 PolarHBondContact O-N 3.09Å; M196-F199 PolarHBondContact O-N 3.09Å; F199-D201 VanDerWaalsContact C-N 3.29Å; F199-D201 PolarHBondContact O-N 3.49Å; F199-F202 HydrophobicContact CD1-CD2 4.33Å; F199-F202 PolarHBondContact O-N 3.44Å; F199-G203 PolarHBondContact O-N 2.85Å
200R90.2Very high86.1Confident22 Ų2260.1 Ų60.18%0.08329%0.291CS..Hα-helixtrans-55.2-47.8171.1177.4-157.367.3-173.1-5.4110.5T128 M196 A197 G203 K204T128-R200 PolarHBondContact OG1-NH1 2.87Å; T128-R200 VanDerWaalsContact OG1-NH1 3.12Å; M196-R200 VanDerWaalsContact O-CB 3.27Å; M196-R200 WeakPolarHBondContact O-CB 3.37Å; M196-R200 PolarHBondContact O-N 2.92Å; A197-R200 PolarHBondContact O-N 3.44Å; R200-G203 PolarHBondContact O-N 2.92Å; R200-K204 WeakPolarHBondContact O-CG 3.35Å; R200-K204 PolarHBondContact O-N 3.42Å
201D88.8Confident85.8Confident66 Ų6655.5 Ų55.535%0.35327%0.274SS..Hα-helixtrans-68.9-35.9-177.7-66-22.6000112.4A197 K198 F199 G203 K204A197-D201 VanDerWaalsContact O-CG 3.23Å; A197-D201 PolarHBondContact O-N 3.17Å; K198-D201 PolarHBondContact O-N 2.91Å; F199-D201 VanDerWaalsContact C-N 3.29Å; F199-D201 PolarHBondContact O-N 3.49Å; D201-G203 VanDerWaalsContact C-N 3.34Å; D201-K204 WeakPolarHBondContact O-CB 3.3Å; D201-K204 PolarHBondContact O-N 2.88Å; D201-K204 IonicContact OD1-NZ 2.65Å; D201-K204 PolarHBondContact OD1-NZ 3.03Å
202F89.6Confident85.6Confident35 Ų3555.1 Ų55.115%0.15428%0.279CS..Hα-helixtrans-64.9-37.1169.6-63-16.9000112.9W73 H77 L78 K198 F199 K204 D205W73-F202 HydrophobicContact CD2-CB 4.07Å; W73-F202 HydrophobicContact CE3-CB 3.38Å; W73-F202 HydrophobicContact CE3-CD2 4.06Å; W73-F202 HydrophobicContact CE3-CG 4.24Å; W73-F202 HydrophobicContact CZ3-CB 3.94Å; W73-F202 HydrophobicContact CZ3-CD2 4.14Å; H77-F202 HydrophobicContact CB-CB 4.48Å; H77-F202 HydrophobicContact CB-CD1 4.02Å; H77-F202 HydrophobicContact CB-CD2 3.56Å; H77-F202 HydrophobicContact CB-CE1 4.02Å; H77-F202 HydrophobicContact CB-CE2 3.55Å; H77-F202 HydrophobicContact CB-CG 3.79Å; H77-F202 HydrophobicContact CB-CZ 3.76Å; H77-F202 AromaticContact CG-CD1 3.82Å; H77-F202 AromaticContact CG-CG 3.83Å; H77-F202 AromaticContact ND1-CD1 3.57Å; H77-F202 AromaticContact ND1-CE1 3.71Å; L78-F202 HydrophobicContact CD2-CE2 3.91Å; L78-F202 HydrophobicContact CG-CE2 4.42Å; K198-F202 HydrophobicContact CD-CE2 4.11Å; K198-F202 HydrophobicContact CD-CZ 4.02Å; K198-F202 HydrophobicContact CG-CD2 4.26Å; K198-F202 HydrophobicContact CG-CE1 4.09Å; K198-F202 HydrophobicContact CG-CE2 3.65Å; K198-F202 HydrophobicContact CG-CZ 3.57Å; K198-F202 VanDerWaalsContact O-CG 3.28Å; K198-F202 WeakPolarHBondContact O-CG 3.43Å; K198-F202 PolarHBondContact O-N 2.95Å; F199-F202 HydrophobicContact CD1-CD2 4.33Å; F199-F202 PolarHBondContact O-N 3.44Å; F202-K204 VanDerWaalsContact C-N 3.33Å; F202-D205 PolarHBondContact O-N 3.18Å
203G81.1Confident85.5Confident11 Ų1155.4 Ų55.411%0.11328%0.281CS..Hα-helixtrans-66-33.2175.400000113.1F199 R200 D201 D205 Q206 L207F199-G203 PolarHBondContact O-N 2.85Å; R200-G203 PolarHBondContact O-N 2.92Å; D201-G203 VanDerWaalsContact C-N 3.34Å; G203-D205 VanDerWaalsContact C-N 3.28Å; G203-D205 PolarHBondContact O-N 2.8Å; G203-Q206 WeakPolarHBondContact O-CA 3.32Å; G203-Q206 WeakPolarHBondContact O-CB 3.29Å; G203-Q206 PolarHBondContact O-N 3.5Å; G203-L207 PolarHBondContact O-N 3.36Å; G203-L207 VanDerWaalsContact O-N 3.07Å
204K78.9Confident85.5Confident83 Ų8358.4 Ų58.436%0.36130%0.3SS..Hα-helixtrans-58.8-37.2177.1-74.5173.8-175.11620112.7R200 D201 F202 Q206 L207 L208R200-K204 WeakPolarHBondContact O-CG 3.35Å; R200-K204 PolarHBondContact O-N 3.42Å; D201-K204 WeakPolarHBondContact O-CB 3.3Å; D201-K204 PolarHBondContact O-N 2.88Å; D201-K204 IonicContact OD1-NZ 2.65Å; D201-K204 PolarHBondContact OD1-NZ 3.03Å; F202-K204 VanDerWaalsContact C-N 3.33Å; K204-Q206 PolarHBondContact O-N 2.84Å; K204-L207 PolarHBondContact O-N 3.3Å; K204-L208 WeakPolarHBondContact O-CG 3.12Å; K204-L208 PolarHBondContact O-N 3.05Å
205D68.2Low85.5Confident74 Ų7454.1 Ų54.140%0.39628%0.281SS..Hα-helixtrans-59.6-32.9175.2-81-1.7000112.3H77 F202 G203H77-D205 IonicContact CE1-OD2 3.82Å; H77-D205 IonicContact NE2-OD2 3.42Å; F202-D205 PolarHBondContact O-N 3.18Å; G203-D205 VanDerWaalsContact C-N 3.28Å; G203-D205 PolarHBondContact O-N 2.8Å
206Q65.6Low85.5Confident34 Ų3454.4 Ų54.416%0.15929%0.286CS..Hα-helixtrans-75.2-38.5174-164.6-179.921.500111.5G203 K204 K209 A210 P239G203-Q206 WeakPolarHBondContact O-CA 3.32Å; G203-Q206 WeakPolarHBondContact O-CB 3.29Å; G203-Q206 PolarHBondContact O-N 3.5Å; K204-Q206 PolarHBondContact O-N 2.84Å; Q206-K209 CarbonylContact O-C 3.59Å; Q206-K209 PolarHBondContact O-N 3.28Å; Q206-A210 PolarHBondContact O-N 3.44Å; Q206-P239 HydrophobicContact CG-CB 4.24Å
207L67Low85.5Confident85 Ų8556 Ų5645%0.44529%0.294SS..Hα-helixtrans-66.4-35.3177.3-64.1177.2000112.8G203 K204 K209 A210 A296G203-L207 PolarHBondContact O-N 3.36Å; G203-L207 VanDerWaalsContact O-N 3.07Å; K204-L207 PolarHBondContact O-N 3.3Å; L207-K209 PolarHBondContact O-N 3.34Å; L207-A210 WeakPolarHBondContact O-CB 3.37Å; L207-A210 PolarHBondContact O-N 3.09Å; L207-A296 HydrophobicContact CD2-CB 3.42Å; L207-A296 VanDerWaalsContact CD2-CB 3.42Å
208L66.4Low85.5Confident147 Ų14758.8 Ų58.877%0.7730%0.302SS*.THydrogen-bonded Turntrans-62.1-25.1173.7-73.1172.2000112.6K204K204-L208 WeakPolarHBondContact O-CG 3.12Å; K204-L208 PolarHBondContact O-N 3.05Å
209K70.9Confident85.5Confident159 Ų15957.4 Ų57.469%0.69130%0.301SS*.THydrogen-bonded Turntrans-989.5175.1-63-177.4-178.3-1760112.8Q206 L207 S211Q206-K209 CarbonylContact O-C 3.59Å; Q206-K209 PolarHBondContact O-N 3.28Å; L207-K209 PolarHBondContact O-N 3.34Å; K209-S211 PolarHBondContact O-N 3.17Å
210A81.8Confident85.5Confident22 Ų2262.2 Ų62.218%0.18232%0.32CS..PPolyproline II helixtrans-62.5122.6-176.200000110.2Q206 L207 L238 A296Q206-A210 PolarHBondContact O-N 3.44Å; L207-A210 WeakPolarHBondContact O-CB 3.37Å; L207-A210 PolarHBondContact O-N 3.09Å; A210-L238 CarbonylContact C-O 3.56Å; A210-L238 WeakPolarHBondContact CA-O 3.46Å; A210-L238 WeakPolarHBondContact CB-O 3.39Å; A210-A296 HydrophobicContact CB-CB 4Å
211S88.9Confident85.6Confident31 Ų3170.3 Ų70.322%0.21736%0.355CS..BIsolated β-bridgetrans-98.6130.117360.80000109.1K209 G236 F237 L238 H294K209-S211 PolarHBondContact O-N 3.17Å; S211-G236 WeakPolarHBondContact CB-O 3.22Å; S211-G236 PolarHBondContact OG-O 3.45Å; S211-F237 VanDerWaalsContact O-CA 3.29Å; S211-F237 WeakPolarHBondContact O-CA 3.49Å; S211-F237 WeakPolarHBondContact OG-CA 3.47Å; S211-L238 PolarHBondContact N-O 3.49Å; S211-L238 VanDerWaalsContact N-O 3.09Å; S211-L238 PolarHBondContact O-N 3.12Å; S211-L238 PolarHBondContact OG-N 2.9Å; S211-H294 PolarHBondContact O-CE1 2.76Å
212P93.8Very high85.8Confident73 Ų7368 Ų6847%0.47435%0.346SS..PPolyproline II helixtrans-69.5144.5176.728-33.1000111S297 M299P212-S297 WeakPolarHBondContact CA-OG 3.18Å; P212-M299 HydrophobicContact CB-CB 4.29Å; P212-M299 HydrophobicContact CB-CG 4.49Å; P212-M299 HydrophobicContact CB-SD 3.69Å
213P95.9Very high85.9Confident7 Ų776.8 Ų76.85%0.04538%0.384CS..PPolyproline II helixtrans-64.3140.9174.1-4.99.1000112V215 A234 T235 F237 I242 V292 H294 M299P213-V215 HydrophobicContact CB-CG2 4.33Å; P213-A234 HydrophobicContact CB-CB 4.02Å; P213-T235 WeakPolarHBondContact CA-O 3.34Å; P213-F237 HydrophobicContact CB-CB 3.77Å; P213-F237 HydrophobicContact CB-CD1 3.89Å; P213-F237 HydrophobicContact CB-CG 4.15Å; P213-F237 HydrophobicContact CG-CB 3.63Å; P213-F237 HydrophobicContact CG-CD1 4.25Å; P213-F237 HydrophobicContact CG-CG 4.08Å; P213-I242 HydrophobicContact CB-CD1 4.17Å; P213-I242 HydrophobicContact CG-CD1 3.62Å; P213-V292 HydrophobicContact CG-CG1 4.17Å; P213-H294 HydrophobicContact CG-CB 3.67Å; P213-M299 HydrophobicContact CB-CE 3.71Å; P213-M299 HydrophobicContact CG-CE 3.35Å; P213-M299 HydrophobicContact CG-SD 4.39Å; P213-M299 WeakPolarHBondContact O-CE 3.44Å
214T96.6Very high86.5Confident78 Ų7878.6 Ų78.648%0.47940%0.395SS..EExtended strand (participates in β ladder)trans-85123.3156.5-55.50000108.1H216 A234 T235T214-H216 WeakPolarHBondContact CG2-NE2 3.18Å; T214-A234 WeakPolarHBondContact O-CA 3.39Å; T214-T235 PolarHBondContact N-O 3.21Å; T214-T235 PolarHBondContact O-N 2.79Å
215V97.2Very high87.1Confident20 Ų2083 Ų8312%0.12142%0.416CS..EExtended strand (participates in β ladder)trans-104.7132.4-176-175.20000110P213 L233 V292 M299 V301 E303P213-V215 HydrophobicContact CB-CG2 4.33Å; V215-L233 CarbonylContact C-O 3.58Å; V215-L233 WeakPolarHBondContact CA-O 3.18Å; V215-V292 HydrophobicContact CB-CG2 4.45Å; V215-V292 HydrophobicContact CG1-CG2 3.78Å; V215-V292 HydrophobicContact CG2-CB 3.96Å; V215-V292 HydrophobicContact CG2-CG1 4.09Å; V215-V292 HydrophobicContact CG2-CG2 3.75Å; V215-M299 HydrophobicContact CG2-CE 3.8Å; V215-V301 HydrophobicContact CB-CG1 4.36Å; V215-V301 HydrophobicContact CG2-CB 4.44Å; V215-V301 HydrophobicContact CG2-CG1 4.36Å; V215-E303 HydrophobicContact CG1-CG 4.1Å
216H96.3Very high88.3Confident83 Ų8383.5 Ų83.538%0.38442%0.423SS..EExtended strand (participates in β ladder)trans-128.3125.4176.8-57.4-69.1000110.2T214 F218 C232 L233T214-H216 WeakPolarHBondContact CG2-NE2 3.18Å; H216-F218 HydrophobicContact CB-CD1 4.01Å; H216-F218 HydrophobicContact CB-CE1 4.24Å; H216-C232 CarbonylContact O-C 3.55Å; H216-C232 WeakPolarHBondContact O-CA 3.43Å; H216-L233 HydrophobicContact CB-CB 4.37Å; H216-L233 PolarHBondContact N-O 3.31Å; H216-L233 PolarHBondContact O-N 2.9Å
217L96.2Very high89.7Confident33 Ų3383.4 Ų83.417%0.17342%0.423CS..EExtended strand (participates in β ladder)trans-114.4114.4171.7-176.158.1000109.3L230 T231 C232 C290 E303 W305L217-L230 HydrophobicContact CD1-CD1 3.71Å; L217-L230 HydrophobicContact CD1-CD2 4.32Å; L217-L230 HydrophobicContact CD1-CG 3.94Å; L217-L230 HydrophobicContact CG-CD1 4.21Å; L217-T231 WeakPolarHBondContact CA-O 3.42Å; L217-C232 HydrophobicContact CD1-CB 4.17Å; L217-C290 HydrophobicContact CD1-CB 4.08Å; L217-C290 HydrophobicContact CD2-CB 4.19Å; L217-E303 HydrophobicContact CB-CB 3.95Å; L217-E303 HydrophobicContact CD2-CB 4Å; L217-E303 VanDerWaalsContact CD2-O 3.23Å; L217-E303 WeakPolarHBondContact CD2-O 3.14Å; L217-W305 HydrophobicContact CD2-CB 3.63Å; L217-W305 HydrophobicContact CG-CB 4.08Å
218F94.9Very high91Very high81 Ų8180 Ų8036%0.35541%0.406SS..EExtended strand (participates in β ladder)trans-148166.1-174.162.8-87.9000112.3H216 T231 L233H216-F218 HydrophobicContact CB-CD1 4.01Å; H216-F218 HydrophobicContact CB-CE1 4.24Å; F218-T231 HydrophobicContact CE1-CG2 4.03Å; F218-T231 HydrophobicContact CE2-CG2 4.12Å; F218-T231 HydrophobicContact CZ-CG2 3.63Å; F218-T231 PolarHBondContact N-O 2.79Å; F218-T231 PolarHBondContact O-N 2.99Å; F218-L233 HydrophobicContact CE1-CB 4.13Å
219T94.3Very high92.5Very high61 Ų6174 Ų7437%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-117.7142.5179.855.20000111.8T228 I229 L230 W305T219-T228 HydrophobicContact CG2-CG2 4.32Å; T219-I229 CarbonylContact C-O 3.52Å; T219-I229 VanDerWaalsContact CA-O 3.31Å; T219-I229 WeakPolarHBondContact CA-O 3.27Å; T219-L230 HydrophobicContact CG2-CD1 3.73Å; T219-W305 HydrophobicContact CG2-CD2 4.48Å; T219-W305 HydrophobicContact CG2-CZ2 3.73Å
220R92.5Very high93.7Very high102 Ų10266.5 Ų66.539%0.38534%0.342SS..EExtended strand (participates in β ladder)trans-121.7162.1169.364.7-175.8178.9-175.7-0.2111.2A222 T228 I229R220-A222 PolarHBondContact O-N 3.17Å; R220-T228 PolarHBondContact O-OG1 3.38Å; R220-I229 HydrophobicContact CG-CB 3.71Å; R220-I229 HydrophobicContact CG-CD1 4.34Å; R220-I229 HydrophobicContact CG-CG2 4.21Å; R220-I229 PolarHBondContact N-O 2.86Å; R220-I229 PolarHBondContact O-N 3.09Å
221K92.5Very high94.5Very high192 Ų19265.5 Ų65.584%0.83533%0.334SS*.EExtended strand (participates in β ladder)trans-63.3132.9176-68-174.7179.4-177.90109.9
222A93.7Very high94.9Very high18 Ų1864 Ų6415%0.14932%0.323CS..  trans-83.1174.1168.400000110.2R220 S224 N227 I229 E279R220-A222 PolarHBondContact O-N 3.17Å; A222-S224 VanDerWaalsContact C-N 3.33Å; A222-N227 HydrophobicContact CB-CB 3.69Å; A222-I229 HydrophobicContact CB-CD1 4.46Å; A222-I229 HydrophobicContact CB-CG1 4.06Å; A222-E279 HydrophobicContact CB-CG 4.15Å
223K92.1Very high95.1Very high218 Ų21861.6 Ų61.695%0.94831%0.306SS*.SBendtrans-65.6-39.2171.2-71.2-175.9178.3179.70111.3
224S93.5Very high95.2Very high50 Ų5061.3 Ų61.335%0.3530%0.304SS..SBendtrans-81.2136.8173.4179.50000111.3A222 T226 N227A222-S224 VanDerWaalsContact C-N 3.33Å; S224-T226 PolarHBondContact O-N 2.87Å; S224-T226 PolarHBondContact OG-N 2.76Å; S224-T226 PolarHBondContact OG-OG1 3.03Å; S224-N227 PolarHBondContact O-N 2.93Å
225E91.6Very high95.2Very high174 Ų17459.1 Ų59.181%0.81329%0.291SS*.THydrogen-bonded Turntrans-67.9-23.7177.4-64.9-164.1157.800113.4N227 K282E225-N227 PolarHBondContact O-N 3.02Å; E225-K282 WeakPolarHBondContact O-CD 3.4Å; E225-K282 VanDerWaalsContact O-CE 3.26Å; E225-K282 WeakPolarHBondContact O-CE 3.37Å; E225-K282 PolarHBondContact O-NZ 3.16Å
226T92.8Very high95.1Very high86 Ų8659.1 Ų59.153%0.52830%0.295SS..THydrogen-bonded Turntrans-78-12.2176.557.10000112.8S224 K282S224-T226 PolarHBondContact O-N 2.87Å; S224-T226 PolarHBondContact OG-N 2.76Å; S224-T226 PolarHBondContact OG-OG1 3.03Å; T226-K282 WeakPolarHBondContact O-CB 3.41Å; T226-K282 WeakPolarHBondContact O-CG 3.47Å; T226-K282 PolarHBondContact O-N 2.8Å
227N94.7Very high94.9Very high31 Ų3155.1 Ų55.117%0.16628%0.276CS..EExtended strand (participates in β ladder)trans-116.1160.4-169.1-6318.1000111.7A222 S224 E225 E279 I280 L281 K282A222-N227 HydrophobicContact CB-CB 3.69Å; S224-N227 PolarHBondContact O-N 2.93Å; E225-N227 PolarHBondContact O-N 3.02Å; N227-E279 HydrophobicContact CB-CG 3.86Å; N227-E279 WeakPolarHBondContact CB-OE1 3.47Å; N227-E279 PolarHBondContact ND2-OE1 2.86Å; N227-I280 CarbonylContact C-O 3.48Å; N227-I280 VanDerWaalsContact CA-O 3.28Å; N227-I280 WeakPolarHBondContact CA-O 3.18Å; N227-L281 WeakPolarHBondContact OD1-CD2 3.46Å; N227-K282 VanDerWaalsContact O-CE 3.25Å; N227-K282 WeakPolarHBondContact O-CE 3.37Å
228T95.1Very high94.4Very high13 Ų1355.6 Ų55.68%0.0828%0.279CS..EExtended strand (participates in β ladder)trans-140.5151170-1680000109.3T219 R220 I280 K282T219-T228 HydrophobicContact CG2-CG2 4.32Å; R220-T228 PolarHBondContact O-OG1 3.38Å; T228-I280 HydrophobicContact CG2-CD1 4.2Å; T228-I280 HydrophobicContact CG2-CG1 3.72Å; T228-I280 PolarHBondContact N-O 2.75Å; T228-I280 PolarHBondContact O-N 2.88Å; T228-K282 HydrophobicContact CG2-CG 4.37Å
229I96.7Very high93.9Very high23 Ų2352.3 Ų52.312%0.11827%0.266CS..EExtended strand (participates in β ladder)trans-98.7110.5176.7-60.4167.1000107.5T219 R220 A222 H277 V278 E279T219-I229 CarbonylContact C-O 3.52Å; T219-I229 VanDerWaalsContact CA-O 3.31Å; T219-I229 WeakPolarHBondContact CA-O 3.27Å; R220-I229 HydrophobicContact CG-CB 3.71Å; R220-I229 HydrophobicContact CG-CD1 4.34Å; R220-I229 HydrophobicContact CG-CG2 4.21Å; R220-I229 PolarHBondContact N-O 2.86Å; R220-I229 PolarHBondContact O-N 3.09Å; A222-I229 HydrophobicContact CB-CD1 4.46Å; A222-I229 HydrophobicContact CB-CG1 4.06Å; I229-H277 HydrophobicContact CG2-CB 3.85Å; I229-V278 WeakPolarHBondContact CA-O 3.5Å; I229-E279 HydrophobicContact CG1-CB 4.32Å; I229-E279 HydrophobicContact CG1-CG 4.29Å
230L97.1Very high93.5Very high1 Ų153.4 Ų53.41%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-78.9128.1170.4-176.369.5000108.4L217 T219 I246 H277 V278 I280 Y288 W305L217-L230 HydrophobicContact CD1-CD1 3.71Å; L217-L230 HydrophobicContact CD1-CD2 4.32Å; L217-L230 HydrophobicContact CD1-CG 3.94Å; L217-L230 HydrophobicContact CG-CD1 4.21Å; T219-L230 HydrophobicContact CG2-CD1 3.73Å; L230-I246 HydrophobicContact CD2-CG2 4.43Å; L230-H277 CarbonylContact O-C 3.58Å; L230-H277 WeakPolarHBondContact O-CA 3.38Å; L230-H277 VanDerWaalsContact O-CB 3.28Å; L230-H277 WeakPolarHBondContact O-CB 3.3Å; L230-V278 HydrophobicContact CB-CG1 4.32Å; L230-V278 PolarHBondContact N-O 2Å; L230-V278 PolarHBondContact O-N 2.87Å; L230-I280 HydrophobicContact CB-CD1 4.04Å; L230-I280 HydrophobicContact CB-CG1 4.48Å; L230-I280 HydrophobicContact CD2-CD1 4.47Å; L230-Y288 VanDerWaalsContact CD2-CB 3.43Å; L230-Y288 HydrophobicContact CD2-CD1 3.71Å; L230-Y288 HydrophobicContact CD2-CD2 4.42Å; L230-Y288 HydrophobicContact CD2-CG 3.6Å; L230-W305 HydrophobicContact CD1-CB 4.05Å; L230-W305 HydrophobicContact CD1-CD2 3.83Å; L230-W305 HydrophobicContact CD1-CE3 4.3Å; L230-W305 HydrophobicContact CD1-CG 3.69Å; L230-W305 HydrophobicContact CD2-CE3 4.46Å
231T97.8Very high93.2Very high1 Ų151.7 Ų51.71%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-126.7128.3-177-58.20000109.5L217 F218 R275 D276 H277L217-T231 WeakPolarHBondContact CA-O 3.42Å; F218-T231 HydrophobicContact CE1-CG2 4.03Å; F218-T231 HydrophobicContact CE2-CG2 4.12Å; F218-T231 HydrophobicContact CZ-CG2 3.63Å; F218-T231 PolarHBondContact N-O 2.79Å; F218-T231 PolarHBondContact O-N 2.99Å; T231-R275 HydrophobicContact CG2-CG 3.49Å; T231-R275 VanDerWaalsContact CG2-CG 3.49Å; T231-D276 WeakPolarHBondContact CA-O 3.38Å; T231-H277 HydrophobicContact CG2-CB 4.3Å
232C98.1Very high93.2Very high0 Ų043.3 Ų43.30%023%0.228CC..EExtended strand (participates in β ladder)trans-103.8130.2163.1-168.80000110.4H216 L217 M244 I246 R275 D276 C290H216-C232 CarbonylContact O-C 3.55Å; H216-C232 WeakPolarHBondContact O-CA 3.43Å; L217-C232 HydrophobicContact CD1-CB 4.17Å; C232-M244 HydrophobicContact CB-SD 4.31Å; C232-I246 HydrophobicContact CB-CD1 4.23Å; C232-I246 HydrophobicContact CB-CG1 4.26Å; C232-R275 WeakPolarHBondContact O-CA 3.42Å; C232-D276 PolarHBondContact N-O 3.29Å; C232-D276 PolarHBondContact O-N 3.49Å; C232-C290 HydrophobicContact CB-CB 3.6Å; C232-C290 WeakPolarHBondContact CB-SG 3.38Å; C232-C290 WeakPolarHBondContact SG-CB 3.3Å; C232-C290 CovalentContact SG-SG 2Å; C232-C290 PolarHBondContact SG-SG 2.78Å
233L97.9Very high93.3Very high22 Ų2245.5 Ų45.512%0.11524%0.239CC..EExtended strand (participates in β ladder)trans-124.8122.9177172.567000108.9V215 H216 F218 Q273 K274 R275V215-L233 CarbonylContact C-O 3.58Å; V215-L233 WeakPolarHBondContact CA-O 3.18Å; H216-L233 HydrophobicContact CB-CB 4.37Å; H216-L233 PolarHBondContact N-O 3.31Å; H216-L233 PolarHBondContact O-N 2.9Å; F218-L233 HydrophobicContact CE1-CB 4.13Å; L233-Q273 HydrophobicContact CD1-CB 4.43Å; L233-K274 WeakPolarHBondContact CA-O 3Å; L233-R275 HydrophobicContact CD1-CB 4.06Å
234A97.9Very high93.5Very high0 Ų035.5 Ų35.50%020%0.196CC..EExtended strand (participates in β ladder)trans-104.4132.6162.300000108.1P213 T214 F237 I242 M244 Q273 K274 V292P213-A234 HydrophobicContact CB-CB 4.02Å; T214-A234 WeakPolarHBondContact O-CA 3.39Å; A234-F237 HydrophobicContact CB-CD1 4.29Å; A234-F237 HydrophobicContact CB-CE1 4.07Å; A234-I242 HydrophobicContact CB-CD1 3.78Å; A234-M244 HydrophobicContact CB-SD 3.95Å; A234-Q273 CarbonylContact O-C 3.49Å; A234-Q273 WeakPolarHBondContact O-CA 3.37Å; A234-Q273 WeakPolarHBondContact O-CB 2.98Å; A234-K274 PolarHBondContact N-O 3.04Å; A234-K274 PolarHBondContact O-N 3.5Å; A234-V292 HydrophobicContact CB-CG1 4.44Å
235T97.1Very high93.7Very high32 Ų3235.4 Ų35.420%0.19619%0.192CC..EExtended strand (participates in β ladder)trans-145.4159.7180-169.50000111.9P213 T214 F237 N267 F272P213-T235 WeakPolarHBondContact CA-O 3.34Å; T214-T235 PolarHBondContact N-O 3.21Å; T214-T235 PolarHBondContact O-N 2.79Å; T235-F237 VanDerWaalsContact C-N 3.34Å; T235-N267 PolarHBondContact OG1-ND2 3.04Å; T235-F272 CarbonylContact C-O 3.59Å; T235-F272 WeakPolarHBondContact CA-O 3.31Å
236G94.4Very high94Very high20 Ų2027.1 Ų27.121%0.20615%0.153CC..EExtended strand (participates in β ladder)trans8113.2176.100000113.9S211 T271 F272S211-G236 WeakPolarHBondContact CB-O 3.22Å; S211-G236 PolarHBondContact OG-O 3.45Å; G236-T271 WeakPolarHBondContact CA-OG1 3.42Å; G236-F272 PolarHBondContact N-O 3.02Å
237F92.6Very high94.2Very high0 Ų024.4 Ų24.40%013%0.134CC..EExtended strand (participates in β ladder)trans-98.8148.8-174.663.6-90.2000113.2S211 P213 A234 T235 P239 I242 V264 F272 K274 H294S211-F237 VanDerWaalsContact O-CA 3.29Å; S211-F237 WeakPolarHBondContact O-CA 3.49Å; S211-F237 WeakPolarHBondContact OG-CA 3.47Å; P213-F237 HydrophobicContact CB-CB 3.77Å; P213-F237 HydrophobicContact CB-CD1 3.89Å; P213-F237 HydrophobicContact CB-CG 4.15Å; P213-F237 HydrophobicContact CG-CB 3.63Å; P213-F237 HydrophobicContact CG-CD1 4.25Å; P213-F237 HydrophobicContact CG-CG 4.08Å; A234-F237 HydrophobicContact CB-CD1 4.29Å; A234-F237 HydrophobicContact CB-CE1 4.07Å; T235-F237 VanDerWaalsContact C-N 3.34Å; F237-P239 WeakPolarHBondContact CD2-O 3.39Å; F237-I242 HydrophobicContact CD1-CD1 3.87Å; F237-I242 HydrophobicContact CD2-CB 4.24Å; F237-I242 HydrophobicContact CD2-CD1 4.08Å; F237-I242 HydrophobicContact CD2-CG2 4.43Å; F237-I242 HydrophobicContact CE1-CD1 3.8Å; F237-I242 HydrophobicContact CE1-CG2 4.39Å; F237-I242 HydrophobicContact CE2-CB 3.81Å; F237-I242 HydrophobicContact CE2-CD1 4.05Å; F237-I242 HydrophobicContact CE2-CG2 3.54Å; F237-I242 HydrophobicContact CG-CD1 4.02Å; F237-I242 HydrophobicContact CZ-CB 4.19Å; F237-I242 HydrophobicContact CZ-CD1 3.93Å; F237-I242 HydrophobicContact CZ-CG2 3.53Å; F237-V264 HydrophobicContact CE2-CG1 4.23Å; F237-V264 HydrophobicContact CZ-CG1 4.06Å; F237-F272 VanDerWaalsContact CD1-O 3.24Å; F237-F272 WeakPolarHBondContact CD1-O 3.29Å; F237-F272 HydrophobicContact CD2-CB 4Å; F237-F272 HydrophobicContact CE1-CB 4.26Å; F237-F272 WeakPolarHBondContact CE1-O 3.39Å; F237-F272 HydrophobicContact CE2-CB 3.56Å; F237-F272 HydrophobicContact CG-CB 4.5Å; F237-F272 HydrophobicContact CZ-CB 3.69Å; F237-F272 PolarHBondContact N-O 3.02Å; F237-F272 PolarHBondContact O-N 3.33Å; F237-K274 HydrophobicContact CE1-CB 4.46Å; F237-K274 HydrophobicContact CZ-CB 4.26Å; F237-H294 AromaticContact CD2-NE2 3.97Å
238L85.9Confident94.3Very high43 Ų4327.5 Ų27.523%0.22514%0.143CC..BIsolated β-bridgetrans-145.8139.7174.3-79.1163.5000108.8A210 S211 N270 T271 F272 H294A210-L238 CarbonylContact C-O 3.56Å; A210-L238 WeakPolarHBondContact CA-O 3.46Å; A210-L238 WeakPolarHBondContact CB-O 3.39Å; S211-L238 PolarHBondContact N-O 3.49Å; S211-L238 VanDerWaalsContact N-O 3.09Å; S211-L238 PolarHBondContact O-N 3.12Å; S211-L238 PolarHBondContact OG-N 2.9Å; L238-N270 VanDerWaalsContact CD2-O 3.28Å; L238-N270 WeakPolarHBondContact CD2-O 3.43Å; L238-T271 HydrophobicContact CD1-CG2 3.95Å; L238-T271 HydrophobicContact CG-CG2 4.32Å; L238-F272 HydrophobicContact CD2-CD2 3.61Å; L238-F272 HydrophobicContact CD2-CE2 3.5Å; L238-F272 VanDerWaalsContact CD2-CE2 3.5Å; L238-F272 HydrophobicContact CG-CD2 4.49Å; L238-H294 PolarHBondContact O-CE1 2.89Å; L238-H294 PolarHBondContact O-NE2 2.69Å
239P83.1Confident94.2Very high12 Ų1232.1 Ų32.18%0.07817%0.167CC..SBendcis-70.4-179.3-5.834.5-36.5000113Q206 F237 D241 H294 A296Q206-P239 HydrophobicContact CG-CB 4.24Å; F237-P239 WeakPolarHBondContact CD2-O 3.39Å; P239-D241 PolarHBondContact O-N 2.99Å; P239-H294 PolarHBondContact O-NE2 3.49Å; P239-H294 VanDerWaalsContact O-NE2 3.17Å; P239-A296 HydrophobicContact CG-CB 3.63Å
240K86.8Confident94Very high83 Ų8333.6 Ų33.636%0.36119%0.188SC..SBendtrans-65.9-17.6-175.372.8-172.1179.6-168.40115.3K70 I242 V264 F272K70-K240 PolarHBondContact O-NZ 2.88Å; K240-I242 PolarHBondContact O-N 3.44Å; K240-V264 HydrophobicContact CB-CG1 4.16Å; K240-F272 HydrophobicContact CB-CD1 4.01Å; K240-F272 HydrophobicContact CB-CD2 3.75Å; K240-F272 HydrophobicContact CB-CE1 3.96Å; K240-F272 HydrophobicContact CB-CE2 3.7Å; K240-F272 HydrophobicContact CB-CG 3.92Å; K240-F272 HydrophobicContact CB-CZ 3.81Å
241D86.6Confident94Very high67 Ų6739.4 Ų39.436%0.35821%0.21SC..  trans-75114.7-175.8-178.246.2000111P239 H294P239-D241 PolarHBondContact O-N 2.99Å; D241-H294 PolarHBondContact O-CD2 3.34Å
242I92.1Very high94Very high16 Ų1642.3 Ų42.38%0.08223%0.228CC..  trans-148.7137.4-177.3-167.5171.7000109.6P213 A234 F237 K240 V264 K274 V292 H294P213-I242 HydrophobicContact CB-CD1 4.17Å; P213-I242 HydrophobicContact CG-CD1 3.62Å; A234-I242 HydrophobicContact CB-CD1 3.78Å; F237-I242 HydrophobicContact CD1-CD1 3.87Å; F237-I242 HydrophobicContact CD2-CB 4.24Å; F237-I242 HydrophobicContact CD2-CD1 4.08Å; F237-I242 HydrophobicContact CD2-CG2 4.43Å; F237-I242 HydrophobicContact CE1-CD1 3.8Å; F237-I242 HydrophobicContact CE1-CG2 4.39Å; F237-I242 HydrophobicContact CE2-CB 3.81Å; F237-I242 HydrophobicContact CE2-CD1 4.05Å; F237-I242 HydrophobicContact CE2-CG2 3.54Å; F237-I242 HydrophobicContact CG-CD1 4.02Å; F237-I242 HydrophobicContact CZ-CB 4.19Å; F237-I242 HydrophobicContact CZ-CD1 3.93Å; F237-I242 HydrophobicContact CZ-CG2 3.53Å; K240-I242 PolarHBondContact O-N 3.44Å; I242-V264 HydrophobicContact CG2-CG2 3.97Å; I242-K274 HydrophobicContact CG2-CD 4.05Å; I242-V292 HydrophobicContact CD1-CG1 3.66Å; I242-V292 HydrophobicContact CG1-CG1 4Å; I242-H294 HydrophobicContact CD1-CB 4.44Å; I242-H294 HydrophobicContact CG1-CB 4.19Å
243T95.1Very high93.9Very high63 Ų6342.8 Ų42.839%0.38723%0.23SC..EExtended strand (participates in β ladder)trans-100.5127.8168.2-57.10000108.7V292 N293T243-V292 CarbonylContact O-C 3.59Å; T243-V292 WeakPolarHBondContact O-CA 3.48Å; T243-N293 PolarHBondContact N-O 2.8Å; T243-N293 PolarHBondContact O-N 3.5Å
244M97.1Very high93.8Very high9 Ų944.8 Ų44.84%0.04424%0.243CC..EExtended strand (participates in β ladder)trans-138.5123.9177.1180171.387.600109.7C232 A234 K274 D276 E291 V292C232-M244 HydrophobicContact CB-SD 4.31Å; A234-M244 HydrophobicContact CB-SD 3.95Å; M244-K274 HydrophobicContact CB-CD 4.44Å; M244-K274 HydrophobicContact CE-CB 4.32Å; M244-K274 HydrophobicContact CE-CD 4.3Å; M244-K274 HydrophobicContact CE-CG 3.74Å; M244-D276 HydrophobicContact CE-CB 3.62Å; M244-D276 WeakPolarHBondContact CE-OD2 3.29Å; M244-E291 CarbonylContact C-O 3.58Å; M244-E291 VanDerWaalsContact CA-O 3.3Å; M244-E291 WeakPolarHBondContact CA-O 3.5Å; M244-V292 HydrophobicContact CB-CG2 4.38Å; M244-V292 HydrophobicContact CG-CG2 3.89Å; M244-V292 HydrophobicContact SD-CG2 4.17Å
245N97.7Very high93.6Very high48 Ų4851.3 Ų51.326%0.25728%0.277SS..EExtended strand (participates in β ladder)trans-128.6135.1-175.3-64.4-38.9000110.3V252 C290 E291N245-V252 HydrophobicContact CB-CG1 4.18Å; N245-V252 HydrophobicContact CB-CG2 4.49Å; N245-C290 WeakPolarHBondContact O-CA 3.1Å; N245-E291 HydrophobicContact CB-CB 4.49Å; N245-E291 PolarHBondContact N-O 3.27Å; N245-E291 PolarHBondContact ND2-OE2 3.35Å; N245-E291 PolarHBondContact O-N 3.04Å
246I97.8Very high93.5Very high0 Ų058.8 Ų58.80%031%0.31CS..EExtended strand (participates in β ladder)trans-95.6120.6164.5-56.4-176.9000107.6L230 C232 L253 L259 D276 V278 Y288 T289L230-I246 HydrophobicContact CD2-CG2 4.43Å; C232-I246 HydrophobicContact CB-CD1 4.23Å; C232-I246 HydrophobicContact CB-CG1 4.26Å; I246-L253 HydrophobicContact CB-CD1 4.29Å; I246-L253 HydrophobicContact CG2-CD1 3.78Å; I246-L253 WeakPolarHBondContact O-CB 3.46Å; I246-L253 WeakPolarHBondContact O-CG 3.39Å; I246-L253 PolarHBondContact O-N 3.02Å; I246-L259 HydrophobicContact CB-CD1 4.3Å; I246-L259 HydrophobicContact CD1-CD1 3.84Å; I246-L259 HydrophobicContact CG1-CD1 4.24Å; I246-D276 HydrophobicContact CD1-CB 4.24Å; I246-V278 HydrophobicContact CD1-CG1 4.5Å; I246-V278 HydrophobicContact CG2-CG1 4.46Å; I246-Y288 HydrophobicContact CG2-CD1 4.32Å; I246-T289 CarbonylContact C-O 3.54Å; I246-T289 WeakPolarHBondContact CA-O 3.4Å
247K97.5Very high93.5Very high29 Ų2960.4 Ų60.413%0.12631%0.314CS..EExtended strand (participates in β ladder)trans-103.4144.5175.4-56.7174.4-173.3169.70110R251 V252 Y288 T289 E291 E302K247-R251 CarbonylContact C-O 3.59Å; K247-R251 WeakPolarHBondContact CA-O 3.49Å; K247-V252 HydrophobicContact CG-CG2 4Å; K247-Y288 CarbonylContact O-C 3.54Å; K247-Y288 WeakPolarHBondContact O-CA 3.3Å; K247-T289 PolarHBondContact N-O 2.61Å; K247-T289 PolarHBondContact O-N 3.4Å; K247-E291 WeakPolarHBondContact CE-OE2 3.28Å; K247-E291 IonicContact NZ-OE1 3.52Å; K247-E291 PolarHBondContact NZ-OE1 3.44Å; K247-E291 IonicContact NZ-OE2 3.73Å; K247-E291 PolarHBondContact NZ-OE2 3.48Å; K247-E291 VanDerWaalsContact NZ-OE2 3.15Å; K247-E302 IonicContact NZ-OE1 3.7Å; K247-E302 PolarHBondContact NZ-OE1 2.78Å
248R96Very high93.6Very high95 Ų9562.4 Ų62.436%0.35833%0.334SS..EExtended strand (participates in β ladder)trans-116.3115.2167.6-177.2-176.2177.3171.34.3108.7G250 R251 L253 D284 S286 Y288R248-G250 PolarHBondContact O-N 2.96Å; R248-R251 PolarHBondContact N-O 3.15Å; R248-R251 PolarHBondContact O-N 2.7Å; R248-L253 HydrophobicContact CB-CD2 3.8Å; R248-L253 HydrophobicContact CB-CG 4.36Å; R248-D284 IonicContact CZ-OD1 3.89Å; R248-D284 IonicContact CZ-OD2 3.08Å; R248-D284 IonicContact NE-OD2 3.69Å; R248-D284 IonicContact NH1-OD2 3.59Å; R248-D284 VanDerWaalsContact NH2-CG 3.26Å; R248-D284 IonicContact NH2-OD1 3.17Å; R248-D284 PolarHBondContact NH2-OD1 2.81Å; R248-D284 IonicContact NH2-OD2 2.62Å; R248-D284 PolarHBondContact NH2-OD2 2.82Å; R248-S286 PolarHBondContact NE-OG 2.94Å; R248-S286 PolarHBondContact NH2-OG 2.83Å; R248-Y288 HydrophobicContact CB-CD1 4.14Å; R248-Y288 HydrophobicContact CB-CE1 3.91Å; R248-Y288 HydrophobicContact CG-CD1 4.36Å; R248-Y288 HydrophobicContact CG-CE1 3.84Å; R248-Y288 HydrophobicContact CG-CE2 4.42Å
249N93.4Very high94.2Very high110 Ų11061.5 Ų61.559%0.58833%0.33SS*.THydrogen-bonded Turntrans48.839.3-172.4-61.7-27.2000112.7R251 S286 V287N249-R251 VanDerWaalsContact C-N 3.34Å; N249-R251 PolarHBondContact O-N 2.99Å; N249-S286 PolarHBondContact ND2-OG 3.39Å; N249-S286 WeakPolarHBondContact OD1-CA 3.31Å; N249-V287 PolarHBondContact N-O 3.19Å; N249-V287 PolarHBondContact OD1-N 2.89Å
250G92.1Very high94.8Very high54 Ų5464.4 Ų64.456%0.55735%0.347SS*.THydrogen-bonded Turntrans87.5-17.2-178.500000115.7R248R248-G250 PolarHBondContact O-N 2.96Å
251R96.7Very high95.3Very high123 Ų12363.6 Ų63.646%0.46435%0.349SS..EExtended strand (participates in β ladder)trans-81124.4175.2-173.2-175.869.484.2-13.5111K247 R248 N249 D257K247-R251 CarbonylContact C-O 3.59Å; K247-R251 WeakPolarHBondContact CA-O 3.49Å; R248-R251 PolarHBondContact N-O 3.15Å; R248-R251 PolarHBondContact O-N 2.7Å; N249-R251 VanDerWaalsContact C-N 3.34Å; N249-R251 PolarHBondContact O-N 2.99Å; R251-D257 IonicContact CZ-OD1 3.55Å; R251-D257 IonicContact CZ-OD2 3.51Å; R251-D257 IonicContact NH1-OD1 3.49Å; R251-D257 PolarHBondContact NH1-OD1 2.9Å; R251-D257 IonicContact NH1-OD2 2.76Å; R251-D257 PolarHBondContact NH1-OD2 2.83Å; R251-D257 VanDerWaalsContact NH2-CG 3.31Å; R251-D257 IonicContact NH2-OD1 2.69Å; R251-D257 PolarHBondContact NH2-OD1 2.89Å; R251-D257 IonicContact NH2-OD2 3.34Å; R251-D257 PolarHBondContact NH2-OD2 3.35Å
252V97.4Very high95.5Very high62 Ų6262.4 Ų62.438%0.37635%0.345SS..EExtended strand (participates in β ladder)trans-63.5133174-179.80000110.1N245 K247N245-V252 HydrophobicContact CB-CG1 4.18Å; N245-V252 HydrophobicContact CB-CG2 4.49Å; K247-V252 HydrophobicContact CG-CG2 4Å
253L96.9Very high95.5Very high10 Ų1063.1 Ų63.15%0.05236%0.356CS..PPolyproline II helixtrans-84147.1176.3-59.7177.1000111.4I246 R248 D257 L259 V278 Y288I246-L253 HydrophobicContact CB-CD1 4.29Å; I246-L253 HydrophobicContact CG2-CD1 3.78Å; I246-L253 WeakPolarHBondContact O-CB 3.46Å; I246-L253 WeakPolarHBondContact O-CG 3.39Å; I246-L253 PolarHBondContact O-N 3.02Å; R248-L253 HydrophobicContact CB-CD2 3.8Å; R248-L253 HydrophobicContact CB-CG 4.36Å; L253-D257 VanDerWaalsContact CA-OD2 3.3Å; L253-D257 WeakPolarHBondContact CA-OD2 3.32Å; L253-D257 HydrophobicContact CB-CB 4.09Å; L253-D257 HydrophobicContact CD2-CB 3.94Å; L253-L259 WeakPolarHBondContact O-CD2 3.33Å; L253-V278 HydrophobicContact CD1-CB 4.46Å; L253-V278 HydrophobicContact CD1-CG1 3.97Å; L253-V278 HydrophobicContact CD1-CG2 4.39Å; L253-Y288 HydrophobicContact CD1-CD1 4.43Å; L253-Y288 HydrophobicContact CD1-CE1 4.22Å
254T96.1Very high95.4Very high64 Ų6463.1 Ų63.139%0.39336%0.355SS..  trans-120.8-179.2178.971.80000111.6E256 D257 L259T254-E256 PolarHBondContact O-N 3.32Å; T254-E256 PolarHBondContact OG1-N 3.33Å; T254-D257 PolarHBondContact N-OD2 3.35Å; T254-D257 WeakPolarHBondContact O-CB 3.17Å; T254-D257 PolarHBondContact O-N 2.68Å; T254-L259 WeakPolarHBondContact O-CB 3.35Å; T254-L259 PolarHBondContact O-N 2.81Å
255L93.8Very high95.2Very high137 Ų13767.9 Ų67.972%0.71737%0.373SS*.G310 helixtrans-57.2-33.2174.1-64.7175.3000112.3D257 G258 L259L255-D257 PolarHBondContact O-N 2.84Å; L255-G258 PolarHBondContact O-N 3.21Å; L255-L259 VanDerWaalsContact CD2-O 3.3Å; L255-L259 WeakPolarHBondContact CD2-O 3.37Å
256E94.1Very high94.8Very high189 Ų18970.4 Ų70.488%0.88339%0.392SS*.G310 helixtrans-67-27.2177.7-63.3176.9176.600112.2T254 G258T254-E256 PolarHBondContact O-N 3.32Å; T254-E256 PolarHBondContact OG1-N 3.33Å; E256-G258 PolarHBondContact O-N 3.34Å
257D95Very high94.4Very high55 Ų5572 Ų7229%0.29440%0.4SS..G310 helixtrans-79.73.4173.3-62.4-62000113R251 L253 T254 L255R251-D257 IonicContact CZ-OD1 3.55Å; R251-D257 IonicContact CZ-OD2 3.51Å; R251-D257 IonicContact NH1-OD1 3.49Å; R251-D257 PolarHBondContact NH1-OD1 2.9Å; R251-D257 IonicContact NH1-OD2 2.76Å; R251-D257 PolarHBondContact NH1-OD2 2.83Å; R251-D257 VanDerWaalsContact NH2-CG 3.31Å; R251-D257 IonicContact NH2-OD1 2.69Å; R251-D257 PolarHBondContact NH2-OD1 2.89Å; R251-D257 IonicContact NH2-OD2 3.34Å; R251-D257 PolarHBondContact NH2-OD2 3.35Å; L253-D257 VanDerWaalsContact CA-OD2 3.3Å; L253-D257 WeakPolarHBondContact CA-OD2 3.32Å; L253-D257 HydrophobicContact CB-CB 4.09Å; L253-D257 HydrophobicContact CD2-CB 3.94Å; T254-D257 PolarHBondContact N-OD2 3.35Å; T254-D257 WeakPolarHBondContact O-CB 3.17Å; T254-D257 PolarHBondContact O-N 2.68Å; L255-D257 PolarHBondContact O-N 2.84Å
258G95.4Very high93.8Very high41 Ų4178.9 Ų78.942%0.42344%0.439SS..THydrogen-bonded Turntrans79.118.7-174.800000114L255 E256 V260L255-G258 PolarHBondContact O-N 3.21Å; E256-G258 PolarHBondContact O-N 3.34Å; G258-V260 PolarHBondContact O-N 3.35Å
259L97.4Very high93.2Very high25 Ų2579.2 Ų79.213%0.13145%0.447CS..  trans-66.6129.8172.2-173.569.8000109.9I246 L253 T254 L255 D276 V278I246-L259 HydrophobicContact CB-CD1 4.3Å; I246-L259 HydrophobicContact CD1-CD1 3.84Å; I246-L259 HydrophobicContact CG1-CD1 4.24Å; L253-L259 WeakPolarHBondContact O-CD2 3.33Å; T254-L259 WeakPolarHBondContact O-CB 3.35Å; T254-L259 PolarHBondContact O-N 2.81Å; L255-L259 VanDerWaalsContact CD2-O 3.3Å; L255-L259 WeakPolarHBondContact CD2-O 3.37Å; L259-D276 HydrophobicContact CD1-CB 4.23Å; L259-V278 HydrophobicContact CD1-CB 4.44Å
260V96.9Very high92.5Very high72 Ų7280.6 Ų80.644%0.43646%0.455SS..EExtended strand (participates in β ladder)trans-118.9119.2174.5-178.60000109.1G258 D276 H277G258-V260 PolarHBondContact O-N 3.35Å; V260-D276 CarbonylContact O-C 3.59Å; V260-D276 WeakPolarHBondContact O-CA 3.3Å; V260-H277 VanDerWaalsContact CB-CE1 3.47Å; V260-H277 WeakPolarHBondContact CB-CE1 3.33Å; V260-H277 WeakPolarHBondContact CG1-CE1 3.24Å; V260-H277 PolarHBondContact N-O 2.89Å; V260-H277 PolarHBondContact O-N 2.77Å; V260-H277 PolarHBondContact O-ND1 2.68Å; V260-H277 VanDerWaalsContact O-ND1 3.14Å
261T96.2Very high92.4Very high67 Ų6778.7 Ų78.741%0.41143%0.433SS..EExtended strand (participates in β ladder)trans-103.4148176-174.30000111.6G263 K274 D276T261-G263 PolarHBondContact OG1-N 3.07Å; T261-K274 PolarHBondContact OG1-NZ 3.45Å; T261-D276 WeakPolarHBondContact CA-OD1 3.47Å; T261-D276 WeakPolarHBondContact CB-OD1 3.45Å; T261-D276 PolarHBondContact OG1-OD1 2.77Å
262T91.6Very high92.2Very high42 Ų4274.7 Ų74.726%0.25842%0.419SS..EExtended strand (participates in β ladder)trans-97.9-0.8173.475.20000113.7R265 R275T262-R265 VanDerWaalsContact CB-CZ 3.44Å; T262-R265 PolarHBondContact OG1-NE 3.2Å; T262-R265 PolarHBondContact OG1-NH2 2.89Å; T262-R275 HydrophobicContact CG2-CB 4.09Å; T262-R275 VanDerWaalsContact CG2-O 3.26Å; T262-R275 WeakPolarHBondContact CG2-O 3.45Å; T262-R275 PolarHBondContact N-O 3.11Å; T262-R275 PolarHBondContact OG1-N 3.35Å; T262-R275 PolarHBondContact OG1-O 3.46Å
263G91.4Very high92.2Very high31 Ų3174 Ų7432%0.3241%0.412SS..EExtended strand (participates in β ladder)trans62.2-177.6-162.800000112.6T261T261-G263 PolarHBondContact OG1-N 3.07Å
264V92.1Very high92.2Very high62 Ų6274.8 Ų74.838%0.37641%0.414SS..EExtended strand (participates in β ladder)trans-79.9133.3172.8-178.70000109.1F237 K240 I242 F272 Q273 K274F237-V264 HydrophobicContact CE2-CG1 4.23Å; F237-V264 HydrophobicContact CZ-CG1 4.06Å; K240-V264 HydrophobicContact CB-CG1 4.16Å; I242-V264 HydrophobicContact CG2-CG2 3.97Å; V264-F272 HydrophobicContact CG1-CB 3.73Å; V264-F272 HydrophobicContact CG1-CD1 3.71Å; V264-F272 HydrophobicContact CG1-CG 3.95Å; V264-Q273 CarbonylContact C-O 3.5Å; V264-Q273 WeakPolarHBondContact CA-O 3.23Å; V264-K274 HydrophobicContact CG2-CB 4.3Å; V264-K274 HydrophobicContact CG2-CD 3.96Å
265R93Very high92.3Very high110 Ų11075.4 Ų75.442%0.41541%0.409SS..EExtended strand (participates in β ladder)trans-130.5146.4-178.5-58.1-165.9-111.4-177.65.1110.8T262 F272 Q273T262-R265 VanDerWaalsContact CB-CZ 3.44Å; T262-R265 PolarHBondContact OG1-NE 3.2Å; T262-R265 PolarHBondContact OG1-NH2 2.89Å; R265-F272 CarbonylContact O-C 3.59Å; R265-F272 WeakPolarHBondContact O-CA 2.99Å; R265-Q273 HydrophobicContact CB-CG 4.27Å; R265-Q273 PolarHBondContact N-O 2.79Å; R265-Q273 PolarHBondContact O-N 3.45Å
266P91.1Very high92.5Very high101 Ų10169 Ų6966%0.65638%0.376SS*.EExtended strand (participates in β ladder)trans-72.715217730.7-35000112F272P266-F272 HydrophobicContact CB-CE1 4.42Å
267N87.8Confident92.7Very high33 Ų3361.8 Ų61.818%0.17634%0.342CS..  trans-103.3166.1166.4-69.8-32000110.3T235 D269 N270 T271 F272 Q273T235-N267 PolarHBondContact OG1-ND2 3.04Å; N267-D269 WeakPolarHBondContact CB-OD1 3.42Å; N267-D269 PolarHBondContact O-N 3.25Å; N267-N270 PolarHBondContact O-N 3.46Å; N267-T271 WeakPolarHBondContact CB-O 3.23Å; N267-T271 PolarHBondContact N-O 3.36Å; N267-T271 PolarHBondContact ND2-OG1 2.78Å; N267-F272 PolarHBondContact ND2-O 3.2Å; N267-Q273 VanDerWaalsContact OD1-CG 3.3Å; N267-Q273 WeakPolarHBondContact OD1-CG 3.01Å; N267-Q273 PolarHBondContact OD1-NE2 3Å
268N85.7Confident92.8Very high173 Ų17359.4 Ų59.493%0.92533%0.33SS*.THydrogen-bonded Turntrans-73.1-13.5179-165.848.2000113.7N270N268-N270 VanDerWaalsContact C-N 3.33Å
269D83.6Confident92.9Very high102 Ų10261.8 Ų61.855%0.54533%0.33SS..THydrogen-bonded Turntrans-95.417.2178.563.3-2000112.7N267 T271N267-D269 WeakPolarHBondContact CB-OD1 3.42Å; N267-D269 PolarHBondContact O-N 3.25Å; D269-T271 PolarHBondContact O-N 2.84Å; D269-T271 WeakPolarHBondContact OD1-CB 3.47Å; D269-T271 PolarHBondContact OD1-N 3.27Å; D269-T271 PolarHBondContact OD1-OG1 3.16Å; D269-T271 PolarHBondContact OD2-OG1 3Å
270N78.6Confident92.7Very high139 Ų13961 Ų6174%0.74333%0.326SS*.SBendtrans61.917.2-174.4-56.6-54.9000114.8L238 N267 N268L238-N270 VanDerWaalsContact CD2-O 3.28Å; L238-N270 WeakPolarHBondContact CD2-O 3.43Å; N267-N270 PolarHBondContact O-N 3.46Å; N268-N270 VanDerWaalsContact C-N 3.33Å
271T89.1Confident92.6Very high15 Ų1561.7 Ų61.79%0.09233%0.326CS..  trans-95.9177.1168.371.10000111.5G236 L238 N267 D269G236-T271 WeakPolarHBondContact CA-OG1 3.42Å; L238-T271 HydrophobicContact CD1-CG2 3.95Å; L238-T271 HydrophobicContact CG-CG2 4.32Å; N267-T271 WeakPolarHBondContact CB-O 3.23Å; N267-T271 PolarHBondContact N-O 3.36Å; N267-T271 PolarHBondContact ND2-OG1 2.78Å; D269-T271 PolarHBondContact O-N 2.84Å; D269-T271 WeakPolarHBondContact OD1-CB 3.47Å; D269-T271 PolarHBondContact OD1-N 3.27Å; D269-T271 PolarHBondContact OD1-OG1 3.16Å; D269-T271 PolarHBondContact OD2-OG1 3Å
272F93.4Very high92.3Very high38 Ų3863.7 Ų63.717%0.16733%0.329CS..EExtended strand (participates in β ladder)trans-113.5158.5176-64.5-82.2000112.5T235 G236 F237 L238 K240 V264 R265 P266 N267T235-F272 CarbonylContact C-O 3.59Å; T235-F272 WeakPolarHBondContact CA-O 3.31Å; G236-F272 PolarHBondContact N-O 3.02Å; F237-F272 VanDerWaalsContact CD1-O 3.24Å; F237-F272 WeakPolarHBondContact CD1-O 3.29Å; F237-F272 HydrophobicContact CD2-CB 4Å; F237-F272 HydrophobicContact CE1-CB 4.26Å; F237-F272 WeakPolarHBondContact CE1-O 3.39Å; F237-F272 HydrophobicContact CE2-CB 3.56Å; F237-F272 HydrophobicContact CG-CB 4.5Å; F237-F272 HydrophobicContact CZ-CB 3.69Å; F237-F272 PolarHBondContact N-O 3.02Å; F237-F272 PolarHBondContact O-N 3.33Å; L238-F272 HydrophobicContact CD2-CD2 3.61Å; L238-F272 HydrophobicContact CD2-CE2 3.5Å; L238-F272 VanDerWaalsContact CD2-CE2 3.5Å; L238-F272 HydrophobicContact CG-CD2 4.49Å; K240-F272 HydrophobicContact CB-CD1 4.01Å; K240-F272 HydrophobicContact CB-CD2 3.75Å; K240-F272 HydrophobicContact CB-CE1 3.96Å; K240-F272 HydrophobicContact CB-CE2 3.7Å; K240-F272 HydrophobicContact CB-CG 3.92Å; K240-F272 HydrophobicContact CB-CZ 3.81Å; V264-F272 HydrophobicContact CG1-CB 3.73Å; V264-F272 HydrophobicContact CG1-CD1 3.71Å; V264-F272 HydrophobicContact CG1-CG 3.95Å; R265-F272 CarbonylContact O-C 3.59Å; R265-F272 WeakPolarHBondContact O-CA 2.99Å; P266-F272 HydrophobicContact CB-CE1 4.42Å; N267-F272 PolarHBondContact ND2-O 3.2Å
273Q97.1Very high92.2Very high49 Ų4966.2 Ų66.223%0.22935%0.349CS..EExtended strand (participates in β ladder)trans-135.7150.5169.764.2176.5-47.700111.4L233 A234 V264 R265 N267L233-Q273 HydrophobicContact CD1-CB 4.43Å; A234-Q273 CarbonylContact O-C 3.49Å; A234-Q273 WeakPolarHBondContact O-CA 3.37Å; A234-Q273 WeakPolarHBondContact O-CB 2.98Å; V264-Q273 CarbonylContact C-O 3.5Å; V264-Q273 WeakPolarHBondContact CA-O 3.23Å; R265-Q273 HydrophobicContact CB-CG 4.27Å; R265-Q273 PolarHBondContact N-O 2.79Å; R265-Q273 PolarHBondContact O-N 3.45Å; N267-Q273 VanDerWaalsContact OD1-CG 3.3Å; N267-Q273 WeakPolarHBondContact OD1-CG 3.01Å; N267-Q273 PolarHBondContact OD1-NE2 3Å
274K97.6Very high92.1Very high25 Ų2565.5 Ų65.511%0.10934%0.338CS..EExtended strand (participates in β ladder)trans-139.1136172.9179.8171.8157.445.50108.8L233 A234 F237 I242 M244 T261 V264 D276L233-K274 WeakPolarHBondContact CA-O 3Å; A234-K274 PolarHBondContact N-O 3.04Å; A234-K274 PolarHBondContact O-N 3.5Å; F237-K274 HydrophobicContact CE1-CB 4.46Å; F237-K274 HydrophobicContact CZ-CB 4.26Å; I242-K274 HydrophobicContact CG2-CD 4.05Å; M244-K274 HydrophobicContact CB-CD 4.44Å; M244-K274 HydrophobicContact CE-CB 4.32Å; M244-K274 HydrophobicContact CE-CD 4.3Å; M244-K274 HydrophobicContact CE-CG 3.74Å; T261-K274 PolarHBondContact OG1-NZ 3.45Å; V264-K274 HydrophobicContact CG2-CB 4.3Å; V264-K274 HydrophobicContact CG2-CD 3.96Å; K274-D276 WeakPolarHBondContact CE-OD2 3.43Å; K274-D276 IonicContact NZ-OD1 3.53Å; K274-D276 PolarHBondContact NZ-OD1 3.08Å; K274-D276 IonicContact NZ-OD2 2.75Å; K274-D276 PolarHBondContact NZ-OD2 2.86Å
275R97.7Very high92Very high77 Ų7768.5 Ų68.529%0.29136%0.356SS..EExtended strand (participates in β ladder)trans-129.8125.1-179.9-174.3-173.4-61.9172.32.9110.6T231 C232 L233 T262T231-R275 HydrophobicContact CG2-CG 3.49Å; T231-R275 VanDerWaalsContact CG2-CG 3.49Å; C232-R275 WeakPolarHBondContact O-CA 3.42Å; L233-R275 HydrophobicContact CD1-CB 4.06Å; T262-R275 HydrophobicContact CG2-CB 4.09Å; T262-R275 VanDerWaalsContact CG2-O 3.26Å; T262-R275 WeakPolarHBondContact CG2-O 3.45Å; T262-R275 PolarHBondContact N-O 3.11Å; T262-R275 PolarHBondContact OG1-N 3.35Å; T262-R275 PolarHBondContact OG1-O 3.46Å
276D98Very high91.9Very high4 Ų463.7 Ų63.72%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-122.3142.9173.1-59.1-10.5000108.9T231 C232 M244 I246 L259 V260 T261 K274T231-D276 WeakPolarHBondContact CA-O 3.38Å; C232-D276 PolarHBondContact N-O 3.29Å; C232-D276 PolarHBondContact O-N 3.49Å; M244-D276 HydrophobicContact CE-CB 3.62Å; M244-D276 WeakPolarHBondContact CE-OD2 3.29Å; I246-D276 HydrophobicContact CD1-CB 4.24Å; L259-D276 HydrophobicContact CD1-CB 4.23Å; V260-D276 CarbonylContact O-C 3.59Å; V260-D276 WeakPolarHBondContact O-CA 3.3Å; T261-D276 WeakPolarHBondContact CA-OD1 3.47Å; T261-D276 WeakPolarHBondContact CB-OD1 3.45Å; T261-D276 PolarHBondContact OG1-OD1 2.77Å; K274-D276 WeakPolarHBondContact CE-OD2 3.43Å; K274-D276 IonicContact NZ-OD1 3.53Å; K274-D276 PolarHBondContact NZ-OD1 3.08Å; K274-D276 IonicContact NZ-OD2 2.75Å; K274-D276 PolarHBondContact NZ-OD2 2.86Å
277H97.8Very high92.1Very high36 Ų3662 Ų6217%0.16733%0.327CS..EExtended strand (participates in β ladder)trans-148.5154.8-178.264-74.7000112.6I229 L230 T231 V260I229-H277 HydrophobicContact CG2-CB 3.85Å; L230-H277 CarbonylContact O-C 3.58Å; L230-H277 WeakPolarHBondContact O-CA 3.38Å; L230-H277 VanDerWaalsContact O-CB 3.28Å; L230-H277 WeakPolarHBondContact O-CB 3.3Å; T231-H277 HydrophobicContact CG2-CB 4.3Å; V260-H277 VanDerWaalsContact CB-CE1 3.47Å; V260-H277 WeakPolarHBondContact CB-CE1 3.33Å; V260-H277 WeakPolarHBondContact CG1-CE1 3.24Å; V260-H277 PolarHBondContact N-O 2.89Å; V260-H277 PolarHBondContact O-N 2.77Å; V260-H277 PolarHBondContact O-ND1 2.68Å; V260-H277 VanDerWaalsContact O-ND1 3.14Å
278V97.4Very high92.4Very high5 Ų560.6 Ų60.63%0.0332%0.319CS..EExtended strand (participates in β ladder)trans-141.8140178.158.90000109.3I229 L230 I246 L253 L259 I280I229-V278 WeakPolarHBondContact CA-O 3.5Å; L230-V278 HydrophobicContact CB-CG1 4.32Å; L230-V278 PolarHBondContact N-O 2Å; L230-V278 PolarHBondContact O-N 2.87Å; I246-V278 HydrophobicContact CD1-CG1 4.5Å; I246-V278 HydrophobicContact CG2-CG1 4.46Å; L253-V278 HydrophobicContact CD1-CB 4.46Å; L253-V278 HydrophobicContact CD1-CG1 3.97Å; L253-V278 HydrophobicContact CD1-CG2 4.39Å; L259-V278 HydrophobicContact CD1-CB 4.44Å; V278-I280 HydrophobicContact CG1-CG2 3.96Å; V278-I280 HydrophobicContact CG2-CG2 4.19Å
279E96.7Very high93Very high92 Ų9252.9 Ų52.943%0.4328%0.278SS..EExtended strand (participates in β ladder)trans-85.2126.4173-171.3169.715500109.9A222 N227 I229A222-E279 HydrophobicContact CB-CG 4.15Å; N227-E279 HydrophobicContact CB-CG 3.86Å; N227-E279 WeakPolarHBondContact CB-OE1 3.47Å; N227-E279 PolarHBondContact ND2-OE1 2.86Å; I229-E279 HydrophobicContact CG1-CB 4.32Å; I229-E279 HydrophobicContact CG1-CG 4.29Å
280I95.1Very high93.7Very high9 Ų948 Ų485%0.04625%0.252CS..EExtended strand (participates in β ladder)trans-130.6155.8-175.263.9172.9000110.6N227 T228 L230 V278 Y288 W305N227-I280 CarbonylContact C-O 3.48Å; N227-I280 VanDerWaalsContact CA-O 3.28Å; N227-I280 WeakPolarHBondContact CA-O 3.18Å; T228-I280 HydrophobicContact CG2-CD1 4.2Å; T228-I280 HydrophobicContact CG2-CG1 3.72Å; T228-I280 PolarHBondContact N-O 2.75Å; T228-I280 PolarHBondContact O-N 2.88Å; L230-I280 HydrophobicContact CB-CD1 4.04Å; L230-I280 HydrophobicContact CB-CG1 4.48Å; L230-I280 HydrophobicContact CD2-CD1 4.47Å; V278-I280 HydrophobicContact CG1-CG2 3.96Å; V278-I280 HydrophobicContact CG2-CG2 4.19Å; I280-Y288 HydrophobicContact CD1-CD2 4.25Å; I280-Y288 HydrophobicContact CD1-CE2 3.85Å; I280-Y288 HydrophobicContact CG2-CE1 3.83Å; I280-Y288 WeakPolarHBondContact CG2-OH 3.4Å; I280-W305 HydrophobicContact CD1-CE3 4.15Å; I280-W305 HydrophobicContact CD1-CH2 3.65Å; I280-W305 HydrophobicContact CD1-CZ3 3.39Å
281L93.7Very high94.6Very high85 Ų8543.1 Ų43.145%0.44523%0.225SC..EExtended strand (participates in β ladder)trans-69.4138.2173.2-67.2170.3000110N227 S283 D284N227-L281 WeakPolarHBondContact OD1-CD2 3.46Å; L281-S283 PolarHBondContact O-N 2.97Å; L281-D284 HydrophobicContact CB-CB 4.41Å; L281-D284 WeakPolarHBondContact O-CB 3.04Å; L281-D284 PolarHBondContact O-N 2.93Å
282K90.1Very high95Very high110 Ų11042.4 Ų42.448%0.47822%0.22SC..THydrogen-bonded Turntrans-64-23.8172.6-70.8177.5-179.4170.20112.7E225 T226 N227 T228 D284E225-K282 WeakPolarHBondContact O-CD 3.4Å; E225-K282 VanDerWaalsContact O-CE 3.26Å; E225-K282 WeakPolarHBondContact O-CE 3.37Å; E225-K282 PolarHBondContact O-NZ 3.16Å; T226-K282 WeakPolarHBondContact O-CB 3.41Å; T226-K282 WeakPolarHBondContact O-CG 3.47Å; T226-K282 PolarHBondContact O-N 2.8Å; N227-K282 VanDerWaalsContact O-CE 3.25Å; N227-K282 WeakPolarHBondContact O-CE 3.37Å; T228-K282 HydrophobicContact CG2-CG 4.37Å; K282-D284 VanDerWaalsContact C-N 3.26Å
283S88.7Confident95.1Very high94 Ų9443.2 Ų43.266%0.65723%0.226SC*.THydrogen-bonded Turntrans-81-3.2175.353.70000113.4L281 V285L281-S283 PolarHBondContact O-N 2.97Å; S283-V285 PolarHBondContact O-N 3.08Å
284D89.7Confident94.8Very high17 Ų1740.9 Ų40.99%0.09122%0.216CC..  trans-67.6122.1180-155.5-38.8000111.2R248 L281 K282 S286 Y288R248-D284 IonicContact CZ-OD1 3.89Å; R248-D284 IonicContact CZ-OD2 3.08Å; R248-D284 IonicContact NE-OD2 3.69Å; R248-D284 IonicContact NH1-OD2 3.59Å; R248-D284 VanDerWaalsContact NH2-CG 3.26Å; R248-D284 IonicContact NH2-OD1 3.17Å; R248-D284 PolarHBondContact NH2-OD1 2.81Å; R248-D284 IonicContact NH2-OD2 2.62Å; R248-D284 PolarHBondContact NH2-OD2 2.82Å; L281-D284 HydrophobicContact CB-CB 4.41Å; L281-D284 WeakPolarHBondContact O-CB 3.04Å; L281-D284 PolarHBondContact O-N 2.93Å; K282-D284 VanDerWaalsContact C-N 3.26Å; D284-S286 WeakPolarHBondContact OD1-CB 3.44Å; D284-S286 PolarHBondContact OD1-N 3.25Å; D284-S286 PolarHBondContact OD1-OG 3.36Å; D284-Y288 PolarHBondContact OD2-OH 2.78Å
285V89.3Confident94.2Very high125 Ų12548.1 Ų48.176%0.75824%0.242SC*.  trans-93.60.8-179.6-63.40000113S283S283-V285 PolarHBondContact O-N 3.08Å
286S92.7Very high93.5Very high9 Ų945.4 Ų45.46%0.06324%0.236CC..PPolyproline II helixtrans-64.9151.3178.6-49.40000111.4R248 N249 D284R248-S286 PolarHBondContact NE-OG 2.94Å; R248-S286 PolarHBondContact NH2-OG 2.83Å; N249-S286 PolarHBondContact ND2-OG 3.39Å; N249-S286 WeakPolarHBondContact OD1-CA 3.31Å; D284-S286 WeakPolarHBondContact OD1-CB 3.44Å; D284-S286 PolarHBondContact OD1-N 3.25Å; D284-S286 PolarHBondContact OD1-OG 3.36Å
287V94Very high93Very high65 Ų6546.6 Ų46.639%0.39425%0.245SC..PPolyproline II helixtrans-88.4119.8168.1-179.80000108N249N249-V287 PolarHBondContact N-O 3.19Å; N249-V287 PolarHBondContact OD1-N 2.89Å
288Y95.6Very high92.5Very high3 Ų354.3 Ų54.31%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-94.3144.7171.3-67.6-99.1000109.7L230 I246 K247 R248 L253 I280 D284 K304 W305L230-Y288 VanDerWaalsContact CD2-CB 3.43Å; L230-Y288 HydrophobicContact CD2-CD1 3.71Å; L230-Y288 HydrophobicContact CD2-CD2 4.42Å; L230-Y288 HydrophobicContact CD2-CG 3.6Å; I246-Y288 HydrophobicContact CG2-CD1 4.32Å; K247-Y288 CarbonylContact O-C 3.54Å; K247-Y288 WeakPolarHBondContact O-CA 3.3Å; R248-Y288 HydrophobicContact CB-CD1 4.14Å; R248-Y288 HydrophobicContact CB-CE1 3.91Å; R248-Y288 HydrophobicContact CG-CD1 4.36Å; R248-Y288 HydrophobicContact CG-CE1 3.84Å; R248-Y288 HydrophobicContact CG-CE2 4.42Å; L253-Y288 HydrophobicContact CD1-CD1 4.43Å; L253-Y288 HydrophobicContact CD1-CE1 4.22Å; I280-Y288 HydrophobicContact CD1-CD2 4.25Å; I280-Y288 HydrophobicContact CD1-CE2 3.85Å; I280-Y288 HydrophobicContact CG2-CE1 3.83Å; I280-Y288 WeakPolarHBondContact CG2-OH 3.4Å; D284-Y288 PolarHBondContact OD2-OH 2.78Å; Y288-K304 CarbonylContact O-C 3.54Å; Y288-K304 WeakPolarHBondContact O-CA 3.38Å; Y288-W305 AromaticContact CD2-CE3 3.68Å; Y288-W305 HydrophobicContact CD2-CE3 3.68Å; Y288-W305 AromaticContact CD2-CZ3 3.81Å; Y288-W305 HydrophobicContact CD2-CZ3 3.81Å; Y288-W305 HydrophobicContact CE2-CE3 4.47Å; Y288-W305 HydrophobicContact CE2-CZ3 4.15Å; Y288-W305 HydrophobicContact CG-CE3 4.27Å; Y288-W305 PolarHBondContact N-O 2.55Å; Y288-W305 PolarHBondContact O-N 2.9Å
289T96.9Very high92.3Very high11 Ų1155.6 Ų55.67%0.06728%0.284CS..EExtended strand (participates in β ladder)trans-133.6128.2178.1-54.30000108.9I246 K247 E302 E303 K304I246-T289 CarbonylContact C-O 3.54Å; I246-T289 WeakPolarHBondContact CA-O 3.4Å; K247-T289 PolarHBondContact N-O 2.61Å; K247-T289 PolarHBondContact O-N 3.4Å; T289-E302 HydrophobicContact CG2-CB 3.85Å; T289-E302 HydrophobicContact CG2-CG 4.24Å; T289-E303 CarbonylContact C-O 3.57Å; T289-E303 VanDerWaalsContact CA-O 3.23Å; T289-E303 WeakPolarHBondContact CA-O 3.2Å; T289-K304 HydrophobicContact CG2-CG 4.08Å
290C97.7Very high92.2Very high0 Ų056.2 Ų56.20%029%0.287CS..EExtended strand (participates in β ladder)trans-93.1109.7163.1-174.70000109L217 C232 N245 E302 E303L217-C290 HydrophobicContact CD1-CB 4.08Å; L217-C290 HydrophobicContact CD2-CB 4.19Å; C232-C290 HydrophobicContact CB-CB 3.6Å; C232-C290 WeakPolarHBondContact CB-SG 3.38Å; C232-C290 WeakPolarHBondContact SG-CB 3.3Å; C232-C290 CovalentContact SG-SG 2Å; C232-C290 PolarHBondContact SG-SG 2.78Å; N245-C290 WeakPolarHBondContact O-CA 3.1Å; C290-E302 CarbonylContact O-C 3.57Å; C290-E302 WeakPolarHBondContact O-CA 3.3Å; C290-E303 HydrophobicContact CB-CB 4.49Å; C290-E303 PolarHBondContact N-O 2.95Å; C290-E303 PolarHBondContact O-N 2.84Å
291E97.9Very high92.2Very high36 Ų3657.6 Ų57.617%0.16830%0.295CS..EExtended strand (participates in β ladder)trans-94.5127.2172.4176.2-174.4-119.100108.8M244 N245 K247 H300 V301 E302M244-E291 CarbonylContact C-O 3.58Å; M244-E291 VanDerWaalsContact CA-O 3.3Å; M244-E291 WeakPolarHBondContact CA-O 3.5Å; N245-E291 HydrophobicContact CB-CB 4.49Å; N245-E291 PolarHBondContact N-O 3.27Å; N245-E291 PolarHBondContact ND2-OE2 3.35Å; N245-E291 PolarHBondContact O-N 3.04Å; K247-E291 WeakPolarHBondContact CE-OE2 3.28Å; K247-E291 IonicContact NZ-OE1 3.52Å; K247-E291 PolarHBondContact NZ-OE1 3.44Å; K247-E291 IonicContact NZ-OE2 3.73Å; K247-E291 PolarHBondContact NZ-OE2 3.48Å; K247-E291 VanDerWaalsContact NZ-OE2 3.15Å; E291-H300 IonicContact OE1-CE1 3.55Å; E291-V301 CarbonylContact C-O 3.52Å; E291-V301 WeakPolarHBondContact CA-O 3.47Å; E291-E302 HydrophobicContact CB-CG 4.24Å; E291-E302 HydrophobicContact CG-CG 4.23Å
292V97.8Very high92.3Very high0 Ų057.4 Ų57.40%029%0.292CS..EExtended strand (participates in β ladder)trans-123.9125.8175.8-179.50000108.5P213 V215 A234 I242 T243 M244 M299 H300 V301P213-V292 HydrophobicContact CG-CG1 4.17Å; V215-V292 HydrophobicContact CB-CG2 4.45Å; V215-V292 HydrophobicContact CG1-CG2 3.78Å; V215-V292 HydrophobicContact CG2-CB 3.96Å; V215-V292 HydrophobicContact CG2-CG1 4.09Å; V215-V292 HydrophobicContact CG2-CG2 3.75Å; A234-V292 HydrophobicContact CB-CG1 4.44Å; I242-V292 HydrophobicContact CD1-CG1 3.66Å; I242-V292 HydrophobicContact CG1-CG1 4Å; T243-V292 CarbonylContact O-C 3.59Å; T243-V292 WeakPolarHBondContact O-CA 3.48Å; M244-V292 HydrophobicContact CB-CG2 4.38Å; M244-V292 HydrophobicContact CG-CG2 3.89Å; M244-V292 HydrophobicContact SD-CG2 4.17Å; V292-M299 HydrophobicContact CG1-CE 4.21Å; V292-H300 CarbonylContact O-C 3.5Å; V292-H300 WeakPolarHBondContact O-CA 3.26Å; V292-V301 PolarHBondContact N-O 2.85Å; V292-V301 PolarHBondContact O-N 2.92Å
293N95.5Very high92.5Very high56 Ų5656.3 Ų56.330%0.29929%0.289SS..EExtended strand (participates in β ladder)trans-122.1116.5171.6-174.2-14000109T243T243-N293 PolarHBondContact N-O 2.8Å; T243-N293 PolarHBondContact O-N 3.5Å
294H91.8Very high92.7Very high0 Ų057.3 Ų57.30%028%0.281CS..EExtended strand (participates in β ladder)trans-120.493175.7-176.6-112000108.5S211 P213 F237 L238 P239 D241 I242 A296 S297 K298 M299S211-H294 PolarHBondContact O-CE1 2.76Å; P213-H294 HydrophobicContact CG-CB 3.67Å; F237-H294 AromaticContact CD2-NE2 3.97Å; L238-H294 PolarHBondContact O-CE1 2.89Å; L238-H294 PolarHBondContact O-NE2 2.69Å; P239-H294 PolarHBondContact O-NE2 3.49Å; P239-H294 VanDerWaalsContact O-NE2 3.17Å; D241-H294 PolarHBondContact O-CD2 3.34Å; I242-H294 HydrophobicContact CD1-CB 4.44Å; I242-H294 HydrophobicContact CG1-CB 4.19Å; H294-A296 VanDerWaalsContact C-N 3.28Å; H294-A296 PolarHBondContact O-N 2.84Å; H294-S297 VanDerWaalsContact ND1-CB 3.3Å; H294-S297 WeakPolarHBondContact ND1-CB 3.35Å; H294-S297 PolarHBondContact ND1-N 2.8Å; H294-S297 PolarHBondContact ND1-OG 3.38Å; H294-S297 PolarHBondContact O-N 2.79Å; H294-S297 PolarHBondContact O-OG 3.06Å; H294-K298 PolarHBondContact O-N 3.34Å; H294-M299 PolarHBondContact N-O 3.23Å; H294-M299 PolarHBondContact O-N 3.28Å
295R84.2Confident92.8Very high177 Ų17758 Ų5867%0.66828%0.283SS*.THydrogen-bonded Turntrans-57.1-41.4-171.1-68.6-177.4-179.6-168.52112.5S297 K298R295-S297 PolarHBondContact O-N 3.42Å; R295-K298 WeakPolarHBondContact O-CA 3.36Å; R295-K298 PolarHBondContact O-N 3.49Å
296A83.2Confident92.2Very high20 Ų2052.4 Ų52.417%0.16525%0.25CS..THydrogen-bonded Turntrans-62.3-41.6-175.300000113.6L207 A210 P239 H294 K298L207-A296 HydrophobicContact CD2-CB 3.42Å; L207-A296 VanDerWaalsContact CD2-CB 3.42Å; A210-A296 HydrophobicContact CB-CB 4Å; P239-A296 HydrophobicContact CG-CB 3.63Å; H294-A296 VanDerWaalsContact C-N 3.28Å; H294-A296 PolarHBondContact O-N 2.84Å; A296-K298 VanDerWaalsContact C-N 3.27Å
297S87.8Confident90.5Very high29 Ų2959 Ų5920%0.20328%0.275CS..THydrogen-bonded Turntrans-89.37.5173.476.90000112.7P212 H294 R295 M299P212-S297 WeakPolarHBondContact CA-OG 3.18Å; H294-S297 VanDerWaalsContact ND1-CB 3.3Å; H294-S297 WeakPolarHBondContact ND1-CB 3.35Å; H294-S297 PolarHBondContact ND1-N 2.8Å; H294-S297 PolarHBondContact ND1-OG 3.38Å; H294-S297 PolarHBondContact O-N 2.79Å; H294-S297 PolarHBondContact O-OG 3.06Å; R295-S297 PolarHBondContact O-N 3.42Å; S297-M299 PolarHBondContact O-N 2.86Å; S297-M299 VanDerWaalsContact OG-CB 3.24Å; S297-M299 WeakPolarHBondContact OG-CB 3.38Å
298K87.9Confident88.6Confident197 Ų19764.7 Ų64.786%0.85729%0.294SS*.THydrogen-bonded Turntrans51.827.2-173.3-55.4178.8-178.2-179.80113.4H294 R295 A296H294-K298 PolarHBondContact O-N 3.34Å; R295-K298 WeakPolarHBondContact O-CA 3.36Å; R295-K298 PolarHBondContact O-N 3.49Å; A296-K298 VanDerWaalsContact C-N 3.27Å
299M91.3Very high86.5Confident32 Ų3269.7 Ų69.716%0.15832%0.318CS..EExtended strand (participates in β ladder)trans-92.4127.1-175.8-169.5-175.789.600110P212 P213 V215 V292 H294 S297 V301P212-M299 HydrophobicContact CB-CB 4.29Å; P212-M299 HydrophobicContact CB-CG 4.49Å; P212-M299 HydrophobicContact CB-SD 3.69Å; P213-M299 HydrophobicContact CB-CE 3.71Å; P213-M299 HydrophobicContact CG-CE 3.35Å; P213-M299 HydrophobicContact CG-SD 4.39Å; P213-M299 WeakPolarHBondContact O-CE 3.44Å; V215-M299 HydrophobicContact CG2-CE 3.8Å; V292-M299 HydrophobicContact CG1-CE 4.21Å; H294-M299 PolarHBondContact N-O 3.23Å; H294-M299 PolarHBondContact O-N 3.28Å; S297-M299 PolarHBondContact O-N 2.86Å; S297-M299 VanDerWaalsContact OG-CB 3.24Å; S297-M299 WeakPolarHBondContact OG-CB 3.38Å; M299-V301 HydrophobicContact CE-CB 4.36Å; M299-V301 HydrophobicContact CE-CG2 3.8Å; M299-V301 HydrophobicContact CG-CG2 3.85Å; M299-V301 HydrophobicContact SD-CG2 3.97Å
300H95.6Very high84.2Confident106 Ų10673 Ų7349%0.49134%0.335SS..EExtended strand (participates in β ladder)trans-128.4121.8168.7-179.167.7000108.8E291 V292E291-H300 IonicContact OE1-CE1 3.55Å; V292-H300 CarbonylContact O-C 3.5Å; V292-H300 WeakPolarHBondContact O-CA 3.26Å
301V94.8Very high81.8Confident37 Ų3776.6 Ų76.622%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-131.8136.7-176.21700000109.5V215 E291 V292 M299 E303V215-V301 HydrophobicContact CB-CG1 4.36Å; V215-V301 HydrophobicContact CG2-CB 4.44Å; V215-V301 HydrophobicContact CG2-CG1 4.36Å; E291-V301 CarbonylContact C-O 3.52Å; E291-V301 WeakPolarHBondContact CA-O 3.47Å; V292-V301 PolarHBondContact N-O 2.85Å; V292-V301 PolarHBondContact O-N 2.92Å; M299-V301 HydrophobicContact CE-CB 4.36Å; M299-V301 HydrophobicContact CE-CG2 3.8Å; M299-V301 HydrophobicContact CG-CG2 3.85Å; M299-V301 HydrophobicContact SD-CG2 3.97Å; V301-E303 HydrophobicContact CG1-CG 3.95Å
302E95.4Very high79.2Confident82 Ų8279 Ų7938%0.38338%0.377SS..EExtended strand (participates in β ladder)trans-122.5102.3169.2-69.9-159.4142.100110.2K247 T289 C290 E291K247-E302 IonicContact NZ-OE1 3.7Å; K247-E302 PolarHBondContact NZ-OE1 2.78Å; T289-E302 HydrophobicContact CG2-CB 3.85Å; T289-E302 HydrophobicContact CG2-CG 4.24Å; C290-E302 CarbonylContact O-C 3.57Å; C290-E302 WeakPolarHBondContact O-CA 3.3Å; E291-E302 HydrophobicContact CB-CG 4.24Å; E291-E302 HydrophobicContact CG-CG 4.23Å
303E94.4Very high76.8Confident87 Ų8782.7 Ų82.741%0.40740%0.399SS..EExtended strand (participates in β ladder)trans-89.3130.3173.8-75.2-63.2159.400110.1V215 L217 T289 C290 V301V215-E303 HydrophobicContact CG1-CG 4.1Å; L217-E303 HydrophobicContact CB-CB 3.95Å; L217-E303 HydrophobicContact CD2-CB 4Å; L217-E303 VanDerWaalsContact CD2-O 3.23Å; L217-E303 WeakPolarHBondContact CD2-O 3.14Å; T289-E303 CarbonylContact C-O 3.57Å; T289-E303 VanDerWaalsContact CA-O 3.23Å; T289-E303 WeakPolarHBondContact CA-O 3.2Å; C290-E303 HydrophobicContact CB-CB 4.49Å; C290-E303 PolarHBondContact N-O 2.95Å; C290-E303 PolarHBondContact O-N 2.84Å; V301-E303 HydrophobicContact CG1-CG 3.95Å
304K93.9Very high74.4Confident115 Ų11587.7 Ų87.750%0.542%0.418SS..EExtended strand (participates in β ladder)trans-108.6137.9-176.8-64.6-175.4-179.5174.30111.7Y288 T289Y288-K304 CarbonylContact O-C 3.54Å; Y288-K304 WeakPolarHBondContact O-CA 3.38Å; T289-K304 HydrophobicContact CG2-CG 4.08Å
305W90.3Very high72Confident31 Ų3192.8 Ų92.812%0.11745%0.445CS..EExtended strand (participates in β ladder)trans-125.3122.6171.9-176.793.7000109.4L217 T219 L230 I280 Y288L217-W305 HydrophobicContact CD2-CB 3.63Å; L217-W305 HydrophobicContact CG-CB 4.08Å; T219-W305 HydrophobicContact CG2-CD2 4.48Å; T219-W305 HydrophobicContact CG2-CZ2 3.73Å; L230-W305 HydrophobicContact CD1-CB 4.05Å; L230-W305 HydrophobicContact CD1-CD2 3.83Å; L230-W305 HydrophobicContact CD1-CE3 4.3Å; L230-W305 HydrophobicContact CD1-CG 3.69Å; L230-W305 HydrophobicContact CD2-CE3 4.46Å; I280-W305 HydrophobicContact CD1-CE3 4.15Å; I280-W305 HydrophobicContact CD1-CH2 3.65Å; I280-W305 HydrophobicContact CD1-CZ3 3.39Å; Y288-W305 AromaticContact CD2-CE3 3.68Å; Y288-W305 HydrophobicContact CD2-CE3 3.68Å; Y288-W305 AromaticContact CD2-CZ3 3.81Å; Y288-W305 HydrophobicContact CD2-CZ3 3.81Å; Y288-W305 HydrophobicContact CE2-CE3 4.47Å; Y288-W305 HydrophobicContact CE2-CZ3 4.15Å; Y288-W305 HydrophobicContact CG-CE3 4.27Å; Y288-W305 PolarHBondContact N-O 2.55Å; Y288-W305 PolarHBondContact O-N 2.9Å
306G76.8Confident70Confident8 Ų887.9 Ų87.98%0.08244%0.435CS..  trans-152.3150.4174.600000110.9K308 Q309G306-K308 PolarHBondContact O-N 2.97Å; G306-K308 VanDerWaalsContact O-N 3.1Å; G306-Q309 PolarHBondContact O-N 3.24Å
307Y58.8Low68Low146 Ų14694.8 Ų94.857%0.57346%0.461SS*.Hα-helixtrans-49.8-39.6-176-179.4-95.9000113.6Q309 N310Y307-Q309 VanDerWaalsContact C-N 3.31Å; Y307-Q309 PolarHBondContact O-N 3.18Å; Y307-N310 PolarHBondContact O-N 3.2Å
308K53.4Low65.9Low185 Ų18599.7 Ų99.780%0.80448%0.484SS*.Hα-helixtrans-68.2-24.5-179.7-73.2-172.8177.1-178.50114.3G306G306-K308 PolarHBondContact O-N 2.97Å; G306-K308 VanDerWaalsContact O-N 3.1Å
309Q50.8Low63.5Low109 Ų109100 Ų10051%0.50948%0.48SS..Hα-helixtrans-75-37.6-178.7-130.9155.3-7.600110.9G306 Y307 V311 C312 T313G306-Q309 PolarHBondContact O-N 3.24Å; Y307-Q309 VanDerWaalsContact C-N 3.31Å; Y307-Q309 PolarHBondContact O-N 3.18Å; Q309-V311 PolarHBondContact O-N 3.14Å; Q309-C312 PolarHBondContact O-N 3.1Å; Q309-C312 VanDerWaalsContact O-N 3.12Å; Q309-T313 PolarHBondContact O-N 3.3Å; Q309-T313 PolarHBondContact O-OG1 3.34Å
310N49Very low61.2Low80 Ų80105 Ų10543%0.42851%0.508SS..Hα-helixtrans-65.2-22.6177.6-71.3-42.5000114.4Y307 K314Y307-N310 PolarHBondContact O-N 3.2Å; N310-K314 WeakPolarHBondContact O-CB 3.49Å; N310-K314 PolarHBondContact O-N 3.21Å
311V47.5Very low58.7Low76 Ų76107.5 Ų107.546%0.46152%0.524SS..Hα-helixtrans-77-41.1173.9-177.40000110.4Q309 L315Q309-V311 PolarHBondContact O-N 3.14Å; V311-L315 HydrophobicContact CG1-CD1 4.21Å; V311-L315 WeakPolarHBondContact O-CD1 3.14Å; V311-L315 WeakPolarHBondContact O-CG 3.47Å; V311-L315 PolarHBondContact O-N 2.78Å
312C42.1Very low56Low86 Ų86108 Ų10858%0.58154%0.537SS*.Hα-helixtrans-70.8-40.3178.6-116.80000112.8Q309 K314 L315 T316Q309-C312 PolarHBondContact O-N 3.1Å; Q309-C312 VanDerWaalsContact O-N 3.12Å; C312-K314 PolarHBondContact O-N 2.58Å; C312-L315 PolarHBondContact O-N 3.26Å; C312-T316 PolarHBondContact O-N 2.95Å; C312-T316 PolarHBondContact O-OG1 2.91Å
313T47.5Very low53.6Low78 Ų78112.3 Ų112.348%0.47956%0.563SS.*Hα-helixtrans-72.5-24.9177.9-3.80000113.7Q309 T316 K317Q309-T313 PolarHBondContact O-N 3.3Å; Q309-T313 PolarHBondContact O-OG1 3.34Å; T313-T316 WeakPolarHBondContact CA-OG1 3.28Å; T313-T316 PolarHBondContact O-OG1 2.97Å; T313-K317 PolarHBondContact O-N 2.62Å
314K45.2Very low50.7Low160 Ų160116 Ų11670%0.69658%0.582SS**Hα-helixtrans-71.4-36.1169.8-104.4-179.5173.8-178.60111.9N310 C312 L318N310-K314 WeakPolarHBondContact O-CB 3.49Å; N310-K314 PolarHBondContact O-N 3.21Å; C312-K314 PolarHBondContact O-N 2.58Å; K314-L318 PolarHBondContact O-N 3.01Å
315L41.4Very low48.1Very low107 Ų107115.3 Ų115.356%0.5659%0.59SS**Hα-helixtrans-69.3-34.4178.5-82158.8000112.6V311 C312 R319V311-L315 HydrophobicContact CG1-CD1 4.21Å; V311-L315 WeakPolarHBondContact O-CD1 3.14Å; V311-L315 WeakPolarHBondContact O-CG 3.47Å; V311-L315 PolarHBondContact O-N 2.78Å; C312-L315 PolarHBondContact O-N 3.26Å; L315-R319 PolarHBondContact O-N 3.48Å
316T42.3Very low45.7Very low75 Ų75120.5 Ų120.546%0.4662%0.618SS.*Hα-helixtrans-71.8-39.6174.845.20000112.8C312 T313 L318 R319 D320C312-T316 PolarHBondContact O-N 2.95Å; C312-T316 PolarHBondContact O-OG1 2.91Å; T313-T316 WeakPolarHBondContact CA-OG1 3.28Å; T313-T316 PolarHBondContact O-OG1 2.97Å; T316-L318 VanDerWaalsContact C-N 3.31Å; T316-L318 PolarHBondContact O-N 3.25Å; T316-R319 WeakPolarHBondContact O-CB 3.47Å; T316-R319 PolarHBondContact O-N 3.42Å; T316-R319 VanDerWaalsContact O-N 3.09Å; T316-D320 PolarHBondContact O-N 3.17Å
317K41.8Very low44.3Very low164 Ų164127.8 Ų127.871%0.71365%0.654SS**Hα-helixtrans-67.2-26174.5-80.2-173.8175.9-178.60114.4T313T313-K317 PolarHBondContact O-N 2.62Å
318L43.9Very low43.6Very low132 Ų132126.3 Ų126.369%0.69165%0.654SS**Hα-helixtrans-77.8-23.8171.8-78.7161.8000112.5K314 T316K314-L318 PolarHBondContact O-N 3.01Å; T316-L318 VanDerWaalsContact C-N 3.31Å; T316-L318 PolarHBondContact O-N 3.25Å
319R37.4Very low43Very low205 Ų205120.2 Ų120.277%0.77464%0.644SS**Hα-helixtrans-79-24.3178.8-177171.5158.4-176-6.8113.3L315 T316L315-R319 PolarHBondContact O-N 3.48Å; T316-R319 WeakPolarHBondContact O-CB 3.47Å; T316-R319 PolarHBondContact O-N 3.42Å; T316-R319 VanDerWaalsContact O-N 3.09Å
320D41.6Very low42.8Very low137 Ų137116.7 Ų116.773%0.73364%0.637SS**THydrogen-bonded Turntrans-82.1-13.6178.5-74.6-21000114.3T316T316-D320 PolarHBondContact O-N 3.17Å
321N43.2Very low43Very low157 Ų157115.9 Ų115.984%0.8464%0.642SS**THydrogen-bonded Turntrans-99.86.3179-90.62.9000114.4
322G38.3Very low43.5Very low48 Ų48116 Ų11650%0.49564%0.643SS.*SBendtrans-117.3102.7178.300000111.3M324G322-M324 PolarHBondContact O-N 3.2Å; G322-M324 VanDerWaalsContact O-N 3.13Å
323N46.3Very low44.3Very low173 Ų173114.6 Ų114.693%0.92564%0.637SS**  trans-45.5117.6165.7-90-7.3000110.5
324M33.5Very low45.1Very low163 Ų163116.1 Ų116.180%0.80364%0.641SS**  trans-127.2133163-93.2-62.7-64.900110.2G322G322-M324 PolarHBondContact O-N 3.2Å; G322-M324 VanDerWaalsContact O-N 3.13Å
325P38.9Very low46.2Very low102 Ų102114.1 Ų114.166%0.66264%0.637SS**  trans-66143.1-177.127.4-33.8000111.5I327P325-I327 PolarHBondContact O-N 3.12Å
326I39.1Very low47.6Very low139 Ų139114.3 Ų114.371%0.71364%0.638SS**  trans-53121.7-177.4-61.5163000111.2I328I326-I328 HydrophobicContact CB-CD1 4.39Å; I326-I328 HydrophobicContact CG2-CB 3.98Å; I326-I328 HydrophobicContact CG2-CD1 3.29Å; I326-I328 HydrophobicContact CG2-CG1 3.32Å; I326-I328 PolarHBondContact O-N 3.49Å
327I47.1Very low49Very low161 Ų161114.8 Ų114.883%0.82664%0.641SS**  trans-73.577.7165.7-56.1173.4000107.9P325P325-I327 PolarHBondContact O-N 3.12Å
328I44.2Very low50.5Low115 Ų115112 Ų11259%0.5963%0.632SS**  trans-95.2-14167.7-86.4163000111.5I326 G330I326-I328 HydrophobicContact CB-CD1 4.39Å; I326-I328 HydrophobicContact CG2-CB 3.98Å; I326-I328 HydrophobicContact CG2-CD1 3.29Å; I326-I328 HydrophobicContact CG2-CG1 3.32Å; I326-I328 PolarHBondContact O-N 3.49Å; I328-G330 PolarHBondContact O-N 3.23Å
329G41.4Very low51.8Low57 Ų57109 Ų10959%0.58863%0.627SS**Hα-helixtrans-72.1-30.3-175.600000115.8A333G329-A333 PolarHBondContact O-N 2.75Å
330G46Very low53.4Low36 Ų36102.1 Ų102.137%0.37161%0.613SS.*Hα-helixtrans-73.6-39.2-172.400000114.3I328 I334I328-G330 PolarHBondContact O-N 3.23Å; G330-I334 WeakPolarHBondContact O-CG1 3.4Å; G330-I334 PolarHBondContact O-N 3.36Å
331A53.3Low54.9Low63 Ų63100 Ų10052%0.52160%0.601SS.*Hα-helixtrans-72.3-34.8-177.500000112.5I334 L335A331-I334 PolarHBondContact O-N 2.96Å; A331-L335 WeakPolarHBondContact O-CG 3.19Å; A331-L335 PolarHBondContact O-N 3.02Å; A331-L335 VanDerWaalsContact O-N 3.11Å
332V57.9Low56.3Low79 Ų7993.9 Ų93.948%0.47958%0.576SS.*Hα-helixtrans-70.9-40179-178.70000111I334 L335 I336V332-I334 VanDerWaalsContact C-N 3.34Å; V332-I334 PolarHBondContact O-N 3.34Å; V332-L335 PolarHBondContact O-N 3.34Å; V332-I336 HydrophobicContact CG1-CD1 3.98Å; V332-I336 VanDerWaalsContact O-CG1 3.32Å; V332-I336 WeakPolarHBondContact O-CG1 3.41Å; V332-I336 PolarHBondContact O-N 3.15Å; V332-I336 VanDerWaalsContact O-N 3.08Å
333A59.9Low57.7Low56 Ų5693.6 Ų93.646%0.46357%0.573SS.*Hα-helixtrans-63.2-40.2176.100000112.1G329 I336 V337G329-A333 PolarHBondContact O-N 2.75Å; A333-I336 PolarHBondContact O-N 2.9Å; A333-V337 WeakPolarHBondContact O-CG2 3.48Å; A333-V337 PolarHBondContact O-N 2.8Å; A333-V337 VanDerWaalsContact O-N 3.16Å
334I64.4Low58.5Low109 Ų10989.2 Ų89.256%0.55955%0.552SS**Hα-helixtrans-67-40.5177.8-68.1167.8000111.2G330 A331 V332 I336 V337 I338G330-I334 WeakPolarHBondContact O-CG1 3.4Å; G330-I334 PolarHBondContact O-N 3.36Å; A331-I334 PolarHBondContact O-N 2.96Å; V332-I334 VanDerWaalsContact C-N 3.34Å; V332-I334 PolarHBondContact O-N 3.34Å; I334-I336 PolarHBondContact O-N 2.95Å; I334-V337 PolarHBondContact O-N 2.81Å; I334-I338 HydrophobicContact CG2-CD1 3.77Å; I334-I338 HydrophobicContact CG2-CG1 4.46Å; I334-I338 VanDerWaalsContact O-CG1 3.3Å; I334-I338 WeakPolarHBondContact O-CG1 3.48Å; I334-I338 PolarHBondContact O-N 2.98Å
335L67.8Low59.9Low118 Ų11886.6 Ų86.662%0.61854%0.541SS*.Hα-helixtrans-65.8-37.5177.6-75.2168.4000112.7A331 V332 I338 A339A331-L335 WeakPolarHBondContact O-CG 3.19Å; A331-L335 PolarHBondContact O-N 3.02Å; A331-L335 VanDerWaalsContact O-N 3.11Å; V332-L335 PolarHBondContact O-N 3.34Å; L335-I338 PolarHBondContact O-N 3.05Å; L335-A339 WeakPolarHBondContact O-CB 3.28Å; L335-A339 PolarHBondContact O-N 3.26Å
336I71.1Confident61.3Low112 Ų11287.2 Ų87.257%0.57454%0.537SS*.Hα-helixtrans-66.2-40.7176.6-67.2168.6000110.8V332 A333 I334 A339 A340V332-I336 HydrophobicContact CG1-CD1 3.98Å; V332-I336 VanDerWaalsContact O-CG1 3.32Å; V332-I336 WeakPolarHBondContact O-CG1 3.41Å; V332-I336 PolarHBondContact O-N 3.15Å; V332-I336 VanDerWaalsContact O-N 3.08Å; A333-I336 PolarHBondContact O-N 2.9Å; I334-I336 PolarHBondContact O-N 2.95Å; I336-A339 PolarHBondContact O-N 3.26Å; I336-A340 WeakPolarHBondContact O-CB 3.47Å; I336-A340 PolarHBondContact O-N 3.43Å
337V72Confident62.4Low85 Ų8588 Ų8852%0.51554%0.536SS..Hα-helixtrans-66.2-41.9177.5173.80000111.2A333 I334 A339 A340 I341A333-V337 WeakPolarHBondContact O-CG2 3.48Å; A333-V337 PolarHBondContact O-N 2.8Å; A333-V337 VanDerWaalsContact O-N 3.16Å; I334-V337 PolarHBondContact O-N 2.81Å; V337-A339 PolarHBondContact O-N 3.47Å; V337-A340 PolarHBondContact O-N 2.87Å; V337-I341 HydrophobicContact CG1-CD1 3.75Å; V337-I341 HydrophobicContact CG1-CG1 4.48Å; V337-I341 VanDerWaalsContact O-CG1 3.27Å; V337-I341 WeakPolarHBondContact O-CG1 3.31Å; V337-I341 PolarHBondContact O-N 2.85Å
338I73.1Confident63Low104 Ų10486.4 Ų86.453%0.53353%0.529SS..Hα-helixtrans-64.5-40176.9-67168.8000111.1I334 L335 I341 G342I334-I338 HydrophobicContact CG2-CD1 3.77Å; I334-I338 HydrophobicContact CG2-CG1 4.46Å; I334-I338 VanDerWaalsContact O-CG1 3.3Å; I334-I338 WeakPolarHBondContact O-CG1 3.48Å; I334-I338 PolarHBondContact O-N 2.98Å; L335-I338 PolarHBondContact O-N 3.05Å; I338-I341 PolarHBondContact O-N 2.84Å; I338-G342 PolarHBondContact O-N 3.09Å
339A72.3Confident63.6Low70 Ų7090 Ų9058%0.57954%0.54SS*.Hα-helixtrans-65.8-39.6176.500000112.5L335 I336 V337 G342 G343L335-A339 WeakPolarHBondContact O-CB 3.28Å; L335-A339 PolarHBondContact O-N 3.26Å; I336-A339 PolarHBondContact O-N 3.26Å; V337-A339 PolarHBondContact O-N 3.47Å; A339-G342 PolarHBondContact O-N 3.25Å; A339-G343 PolarHBondContact O-N 3.38Å
340A70.4Confident64.1Low60 Ų6096.3 Ų96.350%0.49655%0.551SS.*Hα-helixtrans-66.2-39.9176.800000112.4I336 V337 T344I336-A340 WeakPolarHBondContact O-CB 3.47Å; I336-A340 PolarHBondContact O-N 3.43Å; V337-A340 PolarHBondContact O-N 2.87Å; A340-T344 PolarHBondContact O-N 3.2Å; A340-T344 VanDerWaalsContact O-N 3.09Å; A340-T344 PolarHBondContact O-OG1 3.33Å
341I72.8Confident64.1Low92 Ų92105.9 Ų105.947%0.47258%0.582SS.*Hα-helixtrans-68.8-41.7176.1-65167.3000110.7V337 I338 T344 L345V337-I341 HydrophobicContact CG1-CD1 3.75Å; V337-I341 HydrophobicContact CG1-CG1 4.48Å; V337-I341 VanDerWaalsContact O-CG1 3.27Å; V337-I341 WeakPolarHBondContact O-CG1 3.31Å; V337-I341 PolarHBondContact O-N 2.85Å; I338-I341 PolarHBondContact O-N 2.84Å; I341-T344 WeakPolarHBondContact CA-OG1 3.36Å; I341-T344 PolarHBondContact O-OG1 2.79Å; I341-L345 HydrophobicContact CG2-CD1 3.97Å; I341-L345 WeakPolarHBondContact O-CB 3.26Å; I341-L345 WeakPolarHBondContact O-CG 3.25Å; I341-L345 PolarHBondContact O-N 3.45Å; I341-L345 VanDerWaalsContact O-N 3.09Å
342G72.3Confident64.6Low30 Ų30108 Ų10831%0.30959%0.585SS.*Hα-helixtrans-62.4-43.6175.200000112.8I338 A339 L345 I346I338-G342 PolarHBondContact O-N 3.09Å; A339-G342 PolarHBondContact O-N 3.25Å; G342-L345 PolarHBondContact O-N 2.93Å; G342-I346 VanDerWaalsContact O-CG1 3.29Å; G342-I346 WeakPolarHBondContact O-CG1 3.47Å; G342-I346 PolarHBondContact O-N 2.94Å; G342-I346 VanDerWaalsContact O-N 3.09Å
343G68.3Low65Low42 Ų42109.5 Ų109.543%0.43359%0.591SS.*Hα-helixtrans-65.1-40.7178.400000113.5A339 I346 F347A339-G343 PolarHBondContact O-N 3.38Å; G343-I346 PolarHBondContact O-N 3.13Å; G343-F347 WeakPolarHBondContact O-CB 3.43Å; G343-F347 PolarHBondContact O-N 2.7Å
344T63.6Low65.2Low81 Ų81112.5 Ų112.550%0.49760%0.598SS.*Hα-helixtrans-68.8-38.2177.441.30000112.5A340 I341 F347 L348A340-T344 PolarHBondContact O-N 3.2Å; A340-T344 VanDerWaalsContact O-N 3.09Å; A340-T344 PolarHBondContact O-OG1 3.33Å; I341-T344 WeakPolarHBondContact CA-OG1 3.36Å; I341-T344 PolarHBondContact O-OG1 2.79Å; T344-F347 PolarHBondContact O-N 3.42Å; T344-L348 WeakPolarHBondContact O-CG 3.43Å; T344-L348 PolarHBondContact O-N 3.18Å
345L63Low65.3Low108 Ų108112.7 Ų112.757%0.56560%0.6SS**Hα-helixtrans-67.1-36175-73.1170000112.8I341 G342 K349I341-L345 HydrophobicContact CG2-CD1 3.97Å; I341-L345 WeakPolarHBondContact O-CB 3.26Å; I341-L345 WeakPolarHBondContact O-CG 3.25Å; I341-L345 PolarHBondContact O-N 3.45Å; I341-L345 VanDerWaalsContact O-N 3.09Å; G342-L345 PolarHBondContact O-N 2.93Å; L345-K349 WeakPolarHBondContact O-CB 3.21Å; L345-K349 PolarHBondContact O-N 3.47Å
346I66.9Low65.1Low114 Ų114112.4 Ų112.459%0.58560%0.599SS**Hα-helixtrans-70.5-37.5175.6-68.3168.2000111G342 G343 K349 K350G342-I346 VanDerWaalsContact O-CG1 3.29Å; G342-I346 WeakPolarHBondContact O-CG1 3.47Å; G342-I346 PolarHBondContact O-N 2.94Å; G342-I346 VanDerWaalsContact O-N 3.09Å; G343-I346 PolarHBondContact O-N 3.13Å; I346-K349 PolarHBondContact O-N 2.93Å; I346-K350 PolarHBondContact O-N 2.76Å
347F63.7Low64.7Low157 Ų157112.4 Ų112.469%0.68960%0.601SS**Hα-helixtrans-67.1-39176.6-170.7-99.2000112.3G343 T344 K349 K350G343-F347 WeakPolarHBondContact O-CB 3.43Å; G343-F347 PolarHBondContact O-N 2.7Å; T344-F347 PolarHBondContact O-N 3.42Å; F347-K349 VanDerWaalsContact C-N 3.28Å; F347-K349 PolarHBondContact O-N 3.35Å; F347-K350 PolarHBondContact O-N 3.39Å
348L59.6Low64.2Low127 Ų127114.4 Ų114.467%0.66561%0.607SS**Hα-helixtrans-71.2-19.7175.4-73.6166.8000113.7T344T344-L348 WeakPolarHBondContact O-CG 3.43Å; T344-L348 PolarHBondContact O-N 3.18Å
349K55.9Low63.5Low190 Ų190115.2 Ų115.283%0.82661%0.613SS**THydrogen-bonded Turntrans-89.8-9.9176.8-141.3-178.8-175.2-176.30113.5L345 I346 F347L345-K349 WeakPolarHBondContact O-CB 3.21Å; L345-K349 PolarHBondContact O-N 3.47Å; I346-K349 PolarHBondContact O-N 2.93Å; F347-K349 VanDerWaalsContact C-N 3.28Å; F347-K349 PolarHBondContact O-N 3.35Å
350K52.1Low62.8Low190 Ų190118.9 Ų118.983%0.82662%0.616SS**  trans-104.73.7180-100.6-170.2174.5-174.10113.9I346 F347I346-K350 PolarHBondContact O-N 2.76Å; F347-K350 PolarHBondContact O-N 3.39Å
351K45.3Very low62.1Low236 Ų236124.3 Ų124.3100%1.02663%0.627SS**  trans-115.70169.5-156.3-176.3-172.1-175.10107.9

Retrieved 351 of 351 residues in 95.9 ms (Link to these results)

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