A0A5K4FEA1_SCHMA Loading...

Smp_201090

AlphaFold DB , UniProt , Accession A0A5K4FEA1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 597 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
1M53.8Low65.6Low213 Ų213144.7 Ų144.7100%1.04967%0.672SS**  0-42.30-131169.8-177.600114M3 I4M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 PolarHBondContact O-N 3.23Å; M1-I4 PolarHBondContact O-N 3.35Å
2R55.2Low66.6Low230 Ų230140.6 Ų140.687%0.86866%0.656SS**Hα-helixtrans-59.3-29.9178.9-78.3-177.3175.5173.8-1.4116.1T5 F6R2-T5 WeakPolarHBondContact CA-OG1 3.23Å; R2-T5 PolarHBondContact O-OG1 3.45Å; R2-F6 PolarHBondContact O-N 2.8Å
3M63.3Low67.2Low147 Ų147139.5 Ų139.572%0.72465%0.651SS**Hα-helixtrans-71.6-33.1-179.2-16617617500113.1M1 F6 I7M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 PolarHBondContact O-N 3.23Å; M3-F6 PolarHBondContact O-N 3.42Å; M3-I7 HydrophobicContact CG-CD1 4.37Å; M3-I7 WeakPolarHBondContact O-CG1 3.32Å; M3-I7 PolarHBondContact O-N 2.93Å
4I64.2Low68Low114 Ų114139.9 Ų139.959%0.58565%0.645SS**Hα-helixtrans-69.7-37179.7-63.1172.6000110.8M1 K8M1-I4 PolarHBondContact O-N 3.35Å; I4-K8 PolarHBondContact O-N 3.44Å; I4-K8 VanDerWaalsContact O-N 3.11Å
5T63.7Low68.7Low90 Ų90135.8 Ų135.855%0.55263%0.634SS**Hα-helixtrans-63.9-39.2174.524.40000112.4R2 K8 Q9R2-T5 WeakPolarHBondContact CA-OG1 3.23Å; R2-T5 PolarHBondContact O-OG1 3.45Å; T5-K8 PolarHBondContact O-N 2.86Å; T5-Q9 WeakPolarHBondContact O-CB 3.45Å; T5-Q9 PolarHBondContact O-N 3.04Å; T5-Q9 VanDerWaalsContact O-N 3.09Å
6F66.2Low69.4Low148 Ų148132.1 Ų132.165%0.64962%0.619SS**Hα-helixtrans-67.5-42.3179.4-129.8-85.9000112.1R2 M3 Q9 Y10R2-F6 PolarHBondContact O-N 2.8Å; M3-F6 PolarHBondContact O-N 3.42Å; F6-Q9 PolarHBondContact O-N 3.43Å; F6-Y10 PolarHBondContact O-N 3.14Å
7I70.8Confident70Confident93 Ų93131.7 Ų131.748%0.47762%0.619SS.*Hα-helixtrans-64.9-42.5177.8-65.2168.8000111M3 Q9 Y10 L11M3-I7 HydrophobicContact CG-CD1 4.37Å; M3-I7 WeakPolarHBondContact O-CG1 3.32Å; M3-I7 PolarHBondContact O-N 2.93Å; I7-Q9 VanDerWaalsContact C-N 3.35Å; I7-Q9 PolarHBondContact O-N 2.94Å; I7-Y10 PolarHBondContact O-N 3.13Å; I7-L11 HydrophobicContact CG2-CD1 4Å; I7-L11 WeakPolarHBondContact O-CB 3.22Å; I7-L11 PolarHBondContact O-N 3.18Å
8K68.5Low70.4Confident143 Ų143127.6 Ų127.662%0.62260%0.602SS**Hα-helixtrans-60.9-42.6175.9-86.1-172.1173.1-175.10112.4I4 T5 L11 I12I4-K8 PolarHBondContact O-N 3.44Å; I4-K8 VanDerWaalsContact O-N 3.11Å; T5-K8 PolarHBondContact O-N 2.86Å; K8-L11 PolarHBondContact O-N 3.14Å; K8-I12 WeakPolarHBondContact O-CD1 3.42Å; K8-I12 VanDerWaalsContact O-CG1 3.29Å; K8-I12 WeakPolarHBondContact O-CG1 3.14Å; K8-I12 PolarHBondContact O-N 3.2Å; K8-I12 VanDerWaalsContact O-N 3.07Å
9Q72.2Confident70.8Confident129 Ų129124.3 Ų124.360%0.60359%0.594SS**Hα-helixtrans-68.8-36.7-178.6-158.71643.800111.8T5 F6 I7 H13T5-Q9 WeakPolarHBondContact O-CB 3.45Å; T5-Q9 PolarHBondContact O-N 3.04Å; T5-Q9 VanDerWaalsContact O-N 3.09Å; F6-Q9 PolarHBondContact O-N 3.43Å; I7-Q9 VanDerWaalsContact C-N 3.35Å; I7-Q9 PolarHBondContact O-N 2.94Å; Q9-H13 PolarHBondContact O-N 2.86Å; Q9-H13 VanDerWaalsContact O-N 3.12Å
10Y72.6Confident71.2Confident176 Ų176124.8 Ų124.869%0.6959%0.593SS**Hα-helixtrans-67.7-41.7175.6-142.9-88.5000112.4F6 I7 H13 Y14F6-Y10 PolarHBondContact O-N 3.14Å; I7-Y10 PolarHBondContact O-N 3.13Å; Y10-H13 PolarHBondContact O-N 3.45Å; Y10-Y14 WeakPolarHBondContact O-CB 3.46Å; Y10-Y14 PolarHBondContact O-N 3.47Å
11L71.1Confident71.6Confident109 Ų109123 Ų12357%0.57159%0.587SS**Hα-helixtrans-63-42.4176.4-108.5140000112I7 K8 Y14 T15I7-L11 HydrophobicContact CG2-CD1 4Å; I7-L11 WeakPolarHBondContact O-CB 3.22Å; I7-L11 PolarHBondContact O-N 3.18Å; K8-L11 PolarHBondContact O-N 3.14Å; L11-Y14 PolarHBondContact O-N 2.98Å; L11-T15 WeakPolarHBondContact O-CG2 3.43Å; L11-T15 PolarHBondContact O-N 2.85Å; L11-T15 PolarHBondContact O-OG1 3.37Å
12I77.5Confident72.9Confident95 Ų95117.7 Ų117.749%0.48756%0.562SS.*Hα-helixtrans-62.5-47.4177.1-69165.5000110.4K8 Y14 T15 I16K8-I12 WeakPolarHBondContact O-CD1 3.42Å; K8-I12 VanDerWaalsContact O-CG1 3.29Å; K8-I12 WeakPolarHBondContact O-CG1 3.14Å; K8-I12 PolarHBondContact O-N 3.2Å; K8-I12 VanDerWaalsContact O-N 3.07Å; I12-Y14 VanDerWaalsContact C-N 3.33Å; I12-Y14 PolarHBondContact O-N 2.76Å; I12-T15 WeakPolarHBondContact CA-OG1 3.37Å; I12-T15 PolarHBondContact O-N 3.37Å; I12-T15 PolarHBondContact O-OG1 2.88Å; I12-I16 HydrophobicContact CG2-CD1 3.66Å; I12-I16 HydrophobicContact CG2-CG1 4.42Å; I12-I16 VanDerWaalsContact O-CG1 3.31Å; I12-I16 WeakPolarHBondContact O-CG1 3.46Å; I12-I16 PolarHBondContact O-N 3.22Å
13H74Confident74Confident126 Ų126111.3 Ų111.358%0.58354%0.544SS*.Hα-helixtrans-61.7-39.4176.8-93-11.8000113.2Q9 Y10 I16 M17Q9-H13 PolarHBondContact O-N 2.86Å; Q9-H13 VanDerWaalsContact O-N 3.12Å; Y10-H13 PolarHBondContact O-N 3.45Å; H13-I16 PolarHBondContact O-N 3.21Å; H13-M17 WeakPolarHBondContact O-CB 3.33Å; H13-M17 PolarHBondContact O-N 3.35Å
14Y78.6Confident74.5Confident146 Ų146111.3 Ų111.357%0.57354%0.542SS*.Hα-helixtrans-65.1-42177-166.5-101.2000112Y10 L11 I12 N18Y10-Y14 WeakPolarHBondContact O-CB 3.46Å; Y10-Y14 PolarHBondContact O-N 3.47Å; L11-Y14 PolarHBondContact O-N 2.98Å; I12-Y14 VanDerWaalsContact C-N 3.33Å; I12-Y14 PolarHBondContact O-N 2.76Å; Y14-N18 WeakPolarHBondContact CE1-ND2 3.37Å; Y14-N18 WeakPolarHBondContact O-CB 3.3Å; Y14-N18 PolarHBondContact O-N 3.47Å
15T78.9Confident74.9Confident78 Ų78110.7 Ų110.748%0.47954%0.54SS..Hα-helixtrans-66.1-39.3176.453.90000112.9L11 I12 S19L11-T15 WeakPolarHBondContact O-CG2 3.43Å; L11-T15 PolarHBondContact O-N 2.85Å; L11-T15 PolarHBondContact O-OG1 3.37Å; I12-T15 WeakPolarHBondContact CA-OG1 3.37Å; I12-T15 PolarHBondContact O-N 3.37Å; I12-T15 PolarHBondContact O-OG1 2.88Å; T15-S19 WeakPolarHBondContact O-CB 3.42Å; T15-S19 PolarHBondContact O-N 2.87Å; T15-S19 PolarHBondContact O-OG 3.31Å
16I80.1Confident75.2Confident76 Ų76110.5 Ų110.539%0.3954%0.535SS..Hα-helixtrans-67.2-47.1178-66.7168.1000110.2I12 H13 N18 S19 F20I12-I16 HydrophobicContact CG2-CD1 3.66Å; I12-I16 HydrophobicContact CG2-CG1 4.42Å; I12-I16 VanDerWaalsContact O-CG1 3.31Å; I12-I16 WeakPolarHBondContact O-CG1 3.46Å; I12-I16 PolarHBondContact O-N 3.22Å; H13-I16 PolarHBondContact O-N 3.21Å; I16-N18 PolarHBondContact O-N 2.9Å; I16-S19 WeakPolarHBondContact CA-OG 3.22Å; I16-S19 PolarHBondContact O-N 3.38Å; I16-S19 PolarHBondContact O-OG 3.31Å; I16-F20 HydrophobicContact CG2-CD2 3.95Å; I16-F20 HydrophobicContact CG2-CE2 4.14Å; I16-F20 PolarHBondContact O-N 3.43Å
17M78.8Confident75Confident126 Ų126108.3 Ų108.362%0.62153%0.529SS*.Hα-helixtrans-60.4-44.9177.6-81.6-65.8-159.200112.1H13 S19 F20 I21H13-M17 WeakPolarHBondContact O-CB 3.33Å; H13-M17 PolarHBondContact O-N 3.35Å; M17-S19 VanDerWaalsContact C-N 3.33Å; M17-S19 PolarHBondContact O-N 2.87Å; M17-F20 PolarHBondContact O-N 3.15Å; M17-I21 WeakPolarHBondContact O-CG1 3.37Å; M17-I21 PolarHBondContact O-N 3.41Å
18N77.3Confident74.4Confident58 Ų58107.4 Ų107.431%0.3153%0.531SS..Hα-helixtrans-64.4-37.3176.5-79.1-7.1000112.2Y14 I16 F20 I21 I22Y14-N18 WeakPolarHBondContact CE1-ND2 3.37Å; Y14-N18 WeakPolarHBondContact O-CB 3.3Å; Y14-N18 PolarHBondContact O-N 3.47Å; I16-N18 PolarHBondContact O-N 2.9Å; N18-F20 VanDerWaalsContact C-N 3.34Å; N18-F20 PolarHBondContact O-N 3.27Å; N18-I21 PolarHBondContact O-N 3.03Å; N18-I22 WeakPolarHBondContact O-CB 3.43Å; N18-I22 WeakPolarHBondContact O-CD1 3.37Å; N18-I22 WeakPolarHBondContact O-CG1 3.14Å; N18-I22 PolarHBondContact O-N 2.98Å
19S78.1Confident73.7Confident64 Ų64106.5 Ų106.545%0.44853%0.533SS..Hα-helixtrans-65.5-36.5175.871.30000112.7T15 I16 M17 L23T15-S19 WeakPolarHBondContact O-CB 3.42Å; T15-S19 PolarHBondContact O-N 2.87Å; T15-S19 PolarHBondContact O-OG 3.31Å; I16-S19 WeakPolarHBondContact CA-OG 3.22Å; I16-S19 PolarHBondContact O-N 3.38Å; I16-S19 PolarHBondContact O-OG 3.31Å; M17-S19 VanDerWaalsContact C-N 3.33Å; M17-S19 PolarHBondContact O-N 2.87Å; S19-L23 VanDerWaalsContact O-CB 3.3Å; S19-L23 WeakPolarHBondContact O-CB 3.48Å; S19-L23 PolarHBondContact O-N 2.85Å
20F78.7Confident72.6Confident134 Ų134109.4 Ų109.459%0.58854%0.539SS*.Hα-helixtrans-66.9-44.9174.5-98-81.6000111.9I16 M17 N18 I22 L23 E24I16-F20 HydrophobicContact CG2-CD2 3.95Å; I16-F20 HydrophobicContact CG2-CE2 4.14Å; I16-F20 PolarHBondContact O-N 3.43Å; M17-F20 PolarHBondContact O-N 3.15Å; N18-F20 VanDerWaalsContact C-N 3.34Å; N18-F20 PolarHBondContact O-N 3.27Å; F20-I22 VanDerWaalsContact C-N 3.33Å; F20-I22 PolarHBondContact O-N 3.13Å; F20-L23 PolarHBondContact O-N 2.98Å; F20-E24 WeakPolarHBondContact O-CB 3.21Å; F20-E24 PolarHBondContact O-N 3.13Å
21I80.7Confident71.1Confident88 Ų88106.2 Ų106.245%0.45154%0.538SS..Hα-helixtrans-62.1-42.8177.3-66.3165.2000110.7M17 N18 E24 L25M17-I21 WeakPolarHBondContact O-CG1 3.37Å; M17-I21 PolarHBondContact O-N 3.41Å; N18-I21 PolarHBondContact O-N 3.03Å; I21-E24 PolarHBondContact O-N 3.22Å; I21-L25 HydrophobicContact CG2-CD1 3.95Å; I21-L25 WeakPolarHBondContact O-CB 3.32Å; I21-L25 PolarHBondContact O-N 3.06Å
22I79.6Confident69.7Low102 Ų102106 Ų10652%0.52354%0.541SS..Hα-helixtrans-64.5-41.1176.9-69.2165.1000110.9N18 F20 L25 L26N18-I22 WeakPolarHBondContact O-CB 3.43Å; N18-I22 WeakPolarHBondContact O-CD1 3.37Å; N18-I22 WeakPolarHBondContact O-CG1 3.14Å; N18-I22 PolarHBondContact O-N 2.98Å; F20-I22 VanDerWaalsContact C-N 3.33Å; F20-I22 PolarHBondContact O-N 3.13Å; I22-L25 PolarHBondContact O-N 3.07Å; I22-L26 HydrophobicContact CG2-CD1 3.86Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 PolarHBondContact O-N 2.73Å
23L78.6Confident68.1Low96 Ų96107.7 Ų107.750%0.50355%0.552SS.*Hα-helixtrans-66.7-40.3177.8-173.467.4000111.9S19 F20 L26 L27S19-L23 VanDerWaalsContact O-CB 3.3Å; S19-L23 WeakPolarHBondContact O-CB 3.48Å; S19-L23 PolarHBondContact O-N 2.85Å; F20-L23 PolarHBondContact O-N 2.98Å; L23-L26 PolarHBondContact O-N 3.08Å; L23-L27 HydrophobicContact CD1-CD1 3.95Å; L23-L27 HydrophobicContact CG-CD1 3.82Å; L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 WeakPolarHBondContact O-CD1 3.37Å; L23-L27 PolarHBondContact O-N 3.18Å
24E75.2Confident66.7Low146 Ų146106.2 Ų106.268%0.68256%0.556SS**Hα-helixtrans-67.8-39.2177-154.7174.8-158.400111.3F20 I21 L27 S28F20-E24 WeakPolarHBondContact O-CB 3.21Å; F20-E24 PolarHBondContact O-N 3.13Å; I21-E24 PolarHBondContact O-N 3.22Å; E24-L27 PolarHBondContact O-N 3.31Å; E24-S28 WeakPolarHBondContact O-CB 3.24Å; E24-S28 PolarHBondContact O-N 2.98Å; E24-S28 PolarHBondContact O-OG 3.44Å
25L72.3Confident65.4Low102 Ų102103.6 Ų103.653%0.53456%0.559SS.*Hα-helixtrans-61.3-45.6169.4-103.5133.5000111.6I21 I22 S28 L29I21-L25 HydrophobicContact CG2-CD1 3.95Å; I21-L25 WeakPolarHBondContact O-CB 3.32Å; I21-L25 PolarHBondContact O-N 3.06Å; I22-L25 PolarHBondContact O-N 3.07Å; L25-S28 PolarHBondContact O-N 2.81Å; L25-S28 PolarHBondContact O-OG 2.82Å; L25-L29 VanDerWaalsContact O-CD1 3.3Å; L25-L29 WeakPolarHBondContact O-CD1 3.44Å; L25-L29 PolarHBondContact O-N 3.41Å
26L69.6Low64.8Low86 Ų86107.3 Ų107.345%0.4557%0.568SS.*Hα-helixtrans-63-42176.4-92.9151.7000112.3I22 L23 L29 Y30I22-L26 HydrophobicContact CG2-CD1 3.86Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 PolarHBondContact O-N 2.73Å; L23-L26 PolarHBondContact O-N 3.08Å; L26-L29 PolarHBondContact O-N 3Å; L26-Y30 HydrophobicContact CD2-CE2 4.32Å; L26-Y30 WeakPolarHBondContact O-CD2 3.47Å; L26-Y30 PolarHBondContact O-N 3.24Å; L26-Y30 VanDerWaalsContact O-N 3.12Å
27L61.9Low64.6Low102 Ų102104.8 Ų104.853%0.53456%0.555SS.*Hα-helixtrans-66.4-36.9175.8-100.3103000112.4L23 E24 L29 Y30 T31L23-L27 HydrophobicContact CD1-CD1 3.95Å; L23-L27 HydrophobicContact CG-CD1 3.82Å; L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 WeakPolarHBondContact O-CD1 3.37Å; L23-L27 PolarHBondContact O-N 3.18Å; E24-L27 PolarHBondContact O-N 3.31Å; L27-L29 VanDerWaalsContact C-N 3.28Å; L27-L29 PolarHBondContact O-N 2.82Å; L27-Y30 PolarHBondContact O-N 3.42Å; L27-T31 PolarHBondContact O-N 2.78Å; L27-T31 PolarHBondContact O-OG1 3.43Å; L27-T31 VanDerWaalsContact O-OG1 3.05Å
28S58.9Low64.9Low74 Ų74103.4 Ų103.452%0.51755%0.546SS..Hα-helixtrans-67.7-29174.472.20000112.6E24 L25E24-S28 WeakPolarHBondContact O-CB 3.24Å; E24-S28 PolarHBondContact O-N 2.98Å; E24-S28 PolarHBondContact O-OG 3.44Å; L25-S28 PolarHBondContact O-N 2.81Å; L25-S28 PolarHBondContact O-OG 2.82Å
29L53Low65.3Low124 Ų124104.8 Ų104.865%0.64955%0.553SS**Hα-helixtrans-72.2-31171.2-97.5109.9000113.2L25 L26 L27L25-L29 VanDerWaalsContact O-CD1 3.3Å; L25-L29 WeakPolarHBondContact O-CD1 3.44Å; L25-L29 PolarHBondContact O-N 3.41Å; L26-L29 PolarHBondContact O-N 3Å; L27-L29 VanDerWaalsContact C-N 3.28Å; L27-L29 PolarHBondContact O-N 2.82Å
30Y48.7Very low65.6Low190 Ų190102.5 Ų102.575%0.74554%0.537SS*.Hα-helixtrans-90.5-7.1-172.6-96.5-81.7000116L26 L27L26-Y30 HydrophobicContact CD2-CE2 4.32Å; L26-Y30 WeakPolarHBondContact O-CD2 3.47Å; L26-Y30 PolarHBondContact O-N 3.24Å; L26-Y30 VanDerWaalsContact O-N 3.12Å; L27-Y30 PolarHBondContact O-N 3.42Å
31T41.8Very low65.8Low108 Ų108102.8 Ų102.866%0.66354%0.544SS*.  trans-109.218.8-173.449.30000115.3L27 D33L27-T31 PolarHBondContact O-N 2.78Å; L27-T31 PolarHBondContact O-OG1 3.43Å; L27-T31 VanDerWaalsContact O-OG1 3.05Å; T31-D33 PolarHBondContact O-N 3.11Å
32T42.3Very low65.8Low104 Ų104102.1 Ų102.164%0.63854%0.538SS*.  trans-82.3103164.153.70000108.5S34T32-S34 PolarHBondContact O-N 2.89Å
33D43.5Very low65.7Low132 Ų132103 Ų10371%0.70654%0.544SS*.  trans-59.281.9158.1-93.2-19.9000107.2T31 S35T31-D33 PolarHBondContact O-N 3.11Å; D33-S35 PolarHBondContact O-N 3.35Å
34S43.4Very low65.3Low95 Ų9599.6 Ų99.666%0.66453%0.526SS*.THydrogen-bonded Turntrans-67.510.9-16951.20000114.6T32T32-S34 PolarHBondContact O-N 2.89Å
35S52.2Low64.9Low91 Ų9198 Ų9864%0.63653%0.529SS*.THydrogen-bonded Turntrans-108-12.9-174.758.20000114.7D33D33-S35 PolarHBondContact O-N 3.35Å
36K66.7Low64.5Low155 Ų15598.8 Ų98.867%0.67453%0.532SS*.SBendtrans-105.9118.9-175.5-68.9-175.2-176.5174.50111.6K38K36-K38 PolarHBondContact O-N 2.87Å
37L76.5Confident64.1Low23 Ų23100.4 Ų100.412%0.1254%0.54CS..  trans-44.5133.2171.8-81.2168.6000112.4I130 I140 L147L37-I130 HydrophobicContact CD1-CB 3.99Å; L37-I130 HydrophobicContact CD1-CD1 4.11Å; L37-I130 HydrophobicContact CD1-CG2 4.26Å; L37-I130 HydrophobicContact CD2-CB 4.23Å; L37-I130 HydrophobicContact CD2-CG2 3.75Å; L37-I130 HydrophobicContact CG-CB 4.38Å; L37-I130 HydrophobicContact CG-CG2 4.43Å; L37-I140 HydrophobicContact CB-CD1 3.67Å; L37-I140 HydrophobicContact CB-CG1 3.87Å; L37-I140 HydrophobicContact CD1-CD1 3.59Å; L37-I140 HydrophobicContact CD1-CG1 3.86Å; L37-I140 HydrophobicContact CG-CD1 4.28Å; L37-L147 HydrophobicContact CD1-CD1 4.01Å
38K84.2Confident64Low98 Ų98104.6 Ų104.643%0.42655%0.554SS.*PPolyproline II helixtrans-53.2141.4175.9-178.3176.4177.4-177.60113.3K36 D132 C139 I140K36-K38 PolarHBondContact O-N 2.87Å; K38-D132 PolarHBondContact N-OD1 3.18Å; K38-C139 CarbonylContact O-C 3.48Å; K38-C139 WeakPolarHBondContact O-CA 3.48Å; K38-C139 WeakPolarHBondContact O-CB 3.26Å; K38-I140 PolarHBondContact O-N 3.35Å
39L85.7Confident64.3Low87 Ų87104.6 Ų104.646%0.45555%0.551SS.*BIsolated β-bridgetrans-75.9140.2172.1-69.2171.2000111.6N41 I140 K142L39-N41 PolarHBondContact O-N 3.33Å; L39-N41 PolarHBondContact O-OD1 3.27Å; L39-I140 CarbonylContact C-O 3.54Å; L39-I140 WeakPolarHBondContact CA-O 3.49Å; L39-K142 HydrophobicContact CD1-CD 4.4Å; L39-K142 HydrophobicContact CD2-CB 4.03Å; L39-K142 HydrophobicContact CD2-CG 4.33Å
40C85.1Confident65.2Low16 Ų16107 Ų10711%0.10856%0.564CS.*PPolyproline II helixtrans-67.1132.5175.2-57.30000111.1F42 C139 I140 I148C40-F42 HydrophobicContact CB-CD1 4.42Å; C40-F42 HydrophobicContact CB-CE1 4.12Å; C40-F42 HydrophobicContact CB-CE2 4.39Å; C40-F42 HydrophobicContact CB-CZ 4.1Å; C40-F42 PolarHBondContact O-N 2.96Å; C40-C139 WeakPolarHBondContact CA-SG 3.15Å; C40-C139 HydrophobicContact CB-CB 3.94Å; C40-C139 WeakPolarHBondContact CB-SG 3.47Å; C40-C139 WeakPolarHBondContact SG-CB 3.41Å; C40-C139 CovalentContact SG-SG 2.04Å; C40-C139 PolarHBondContact SG-SG 2.81Å; C40-I140 PolarHBondContact N-O 3.41Å; C40-I148 WeakPolarHBondContact SG-CD1 3.47Å
41N81.4Confident66.7Low140 Ų140104.8 Ų104.875%0.74956%0.558SS**SBendtrans-82.36.2179.2-691.1000113.8L39L39-N41 PolarHBondContact O-N 3.33Å; L39-N41 PolarHBondContact O-OD1 3.27Å
42F81.5Confident68.9Low73 Ų73102.4 Ų102.432%0.3255%0.546SS..SBendtrans-130.5145.8-177.754.4-92.4000110.2C40 I44 I148 Y150C40-F42 HydrophobicContact CB-CD1 4.42Å; C40-F42 HydrophobicContact CB-CE1 4.12Å; C40-F42 HydrophobicContact CB-CE2 4.39Å; C40-F42 HydrophobicContact CB-CZ 4.1Å; C40-F42 PolarHBondContact O-N 2.96Å; F42-I44 HydrophobicContact CD2-CG1 4.12Å; F42-I44 HydrophobicContact CE2-CD1 4.23Å; F42-I44 HydrophobicContact CE2-CG1 4Å; F42-I148 HydrophobicContact CE2-CG2 4.46Å; F42-I148 HydrophobicContact CZ-CG2 4.08Å; F42-Y150 AromaticContact CE1-CD1 3.88Å; F42-Y150 HydrophobicContact CE1-CD1 3.88Å; F42-Y150 AromaticContact CE1-CD2 3.76Å; F42-Y150 HydrophobicContact CE1-CD2 3.76Å; F42-Y150 HydrophobicContact CE1-CE1 4.14Å; F42-Y150 AromaticContact CE1-CE2 3.98Å; F42-Y150 HydrophobicContact CE1-CE2 3.98Å; F42-Y150 AromaticContact CE1-CG 3.71Å; F42-Y150 HydrophobicContact CE1-CG 3.71Å; F42-Y150 AromaticContact CZ-CD1 3.94Å; F42-Y150 HydrophobicContact CZ-CD1 3.94Å; F42-Y150 HydrophobicContact CZ-CD2 4.27Å; F42-Y150 AromaticContact CZ-CG 3.79Å; F42-Y150 HydrophobicContact CZ-CG 3.79Å
43D76.5Confident71.2Confident122 Ų12299.7 Ų99.765%0.65253%0.531SS*.  trans-80.6146.6172.9-79.7-60.1000110.7H141 K143D43-H141 IonicContact OD1-NE2 3.68Å; D43-K143 IonicContact OD1-NZ 3.35Å; D43-K143 PolarHBondContact OD1-NZ 3.14Å
44I71.6Confident73.5Confident24 Ų2497.2 Ų97.212%0.12352%0.515CS..  trans-111.7138.6176-60.4163.6000108.5F42 I46 H141 I148F42-I44 HydrophobicContact CD2-CG1 4.12Å; F42-I44 HydrophobicContact CE2-CD1 4.23Å; F42-I44 HydrophobicContact CE2-CG1 4Å; I44-I46 PolarHBondContact O-N 3.36Å; I44-I46 VanDerWaalsContact O-N 3.15Å; I44-H141 HydrophobicContact CD1-CB 3.91Å; I44-H141 PolarHBondContact N-NE2 3.46Å; I44-I148 HydrophobicContact CD1-CD1 3.13Å; I44-I148 HydrophobicContact CD1-CG1 3.86Å
45P67Low75.8Confident113 Ų11398.2 Ų98.273%0.73451%0.512SS*.  trans-57.6122.2174.121.6-31.6000110.7I47P45-I47 PolarHBondContact O-N 2.95Å
46I63.3Low77.7Confident117 Ų11797.2 Ų97.260%0.650%0.497SS*.  trans-75112.4174.8-58.3169.5000107.5I44 K48I44-I46 PolarHBondContact O-N 3.36Å; I44-I46 VanDerWaalsContact O-N 3.15Å; I46-K48 PolarHBondContact O-N 3.42Å; I46-K48 VanDerWaalsContact O-N 3.14Å
47I60.3Low79Confident120 Ų12090.5 Ų90.562%0.61547%0.467SS*.  trans-72.4107.1170.3-56.5173.9000107P45 T49P45-I47 PolarHBondContact O-N 2.95Å; I47-T49 PolarHBondContact O-N 2.95Å
48K60.7Low79.8Confident191 Ų19193.7 Ų93.783%0.8348%0.483SS*.  trans-74.1119.1172.3-71.8-175.1178-179.10109I46I46-K48 PolarHBondContact O-N 3.42Å; I46-K48 VanDerWaalsContact O-N 3.14Å
49T65.9Low80.3Confident74 Ų7494.8 Ų94.845%0.45449%0.488SS..  trans-99.9141.4168.459.30000109.3I47 K51I47-T49 PolarHBondContact O-N 2.95Å; T49-K51 PolarHBondContact O-N 2.82Å
50N71.9Confident80.6Confident175 Ų17592.4 Ų92.494%0.93648%0.476SS*.SBendtrans-76.1-0.7172.9-71-0.4000112.7
51K79.2Confident81.1Confident142 Ų14291.6 Ų91.662%0.61747%0.471SS*.SBendtrans-92.9145.6-176.4-68.2-179.5-178.3171.50110.3T49 C53T49-K51 PolarHBondContact O-N 2.82Å; K51-C53 PolarHBondContact O-N 3Å
52S88.2Confident81.7Confident59 Ų5985.9 Ų85.941%0.41344%0.444SS..  trans-60.1128.3170.8172.40000110.5H54 I55 E56S52-H54 VanDerWaalsContact C-N 3.25Å; S52-H54 PolarHBondContact O-N 2.84Å; S52-I55 PolarHBondContact O-N 3.09Å; S52-I55 VanDerWaalsContact O-N 3.11Å; S52-E56 PolarHBondContact O-N 3.28Å; S52-E56 VanDerWaalsContact O-N 3.09Å
53C90.2Very high82.1Confident46 Ų4686.2 Ų86.231%0.31145%0.446SS..Hα-helixtrans-52-43.6178.3171.90000112.1K51 I55 E56 R57 C86K51-C53 PolarHBondContact O-N 3Å; C53-I55 PolarHBondContact O-N 3.3Å; C53-E56 PolarHBondContact O-N 3.47Å; C53-R57 VanDerWaalsContact O-CB 3.27Å; C53-R57 WeakPolarHBondContact O-CB 3.37Å; C53-R57 PolarHBondContact O-N 3.05Å; C53-C86 VanDerWaalsContact C-SG 3.58Å; C53-C86 HydrophobicContact CB-CB 3.91Å; C53-C86 WeakPolarHBondContact CB-SG 3.36Å; C53-C86 WeakPolarHBondContact SG-CA 2.94Å; C53-C86 WeakPolarHBondContact SG-CB 3.24Å; C53-C86 CovalentContact SG-SG 2.05Å; C53-C86 PolarHBondContact SG-SG 3.48Å
54H91.9Very high82.9Confident80 Ų8080.5 Ų80.537%0.3742%0.415SS..Hα-helixtrans-63-40.8-179.7-64.7-70.7000112.5S52 R57 I58S52-H54 VanDerWaalsContact C-N 3.25Å; S52-H54 PolarHBondContact O-N 2.84Å; H54-R57 PolarHBondContact ND1-NH2 2.66Å; H54-R57 PolarHBondContact O-N 3.44Å; H54-I58 VanDerWaalsContact O-CG1 3.31Å; H54-I58 WeakPolarHBondContact O-CG1 3.36Å; H54-I58 PolarHBondContact O-N 2.81Å
55I91.8Very high84.1Confident117 Ų11779.9 Ų79.960%0.641%0.412SS*.Hα-helixtrans-67.4-45179.1-61.5178.1000110.3S52 C53 R57 I58 K59S52-I55 PolarHBondContact O-N 3.09Å; S52-I55 VanDerWaalsContact O-N 3.11Å; C53-I55 PolarHBondContact O-N 3.3Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 3.23Å; I55-I58 PolarHBondContact O-N 2.87Å; I55-K59 WeakPolarHBondContact O-CB 3.23Å; I55-K59 PolarHBondContact O-N 2.83Å
56E92.1Very high85.4Confident69 Ų6976.9 Ų76.932%0.32239%0.388SS..Hα-helixtrans-63.9-40.9178.3-177.2165.3-171.200111.7S52 C53 K59 N60S52-E56 PolarHBondContact O-N 3.28Å; S52-E56 VanDerWaalsContact O-N 3.09Å; C53-E56 PolarHBondContact O-N 3.47Å; E56-K59 PolarHBondContact O-N 2.8Å; E56-N60 WeakPolarHBondContact O-CB 3.25Å; E56-N60 VanDerWaalsContact O-CG 3.3Å; E56-N60 PolarHBondContact O-N 3.27Å; E56-N60 PolarHBondContact O-ND2 3.21Å
57R93.5Very high87Confident15 Ų1573.2 Ų73.26%0.05737%0.368CS..Hα-helixtrans-62.1-50.1175.1-179.4171.371.9-164.38.9112.2C53 H54 I55 K59 N60 A61 P84 E89 H172 P173 I177C53-R57 VanDerWaalsContact O-CB 3.27Å; C53-R57 WeakPolarHBondContact O-CB 3.37Å; C53-R57 PolarHBondContact O-N 3.05Å; H54-R57 PolarHBondContact ND1-NH2 2.66Å; H54-R57 PolarHBondContact O-N 3.44Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 3.23Å; R57-K59 VanDerWaalsContact C-N 3.27Å; R57-K59 PolarHBondContact O-N 3.06Å; R57-N60 PolarHBondContact O-N 3Å; R57-A61 WeakPolarHBondContact O-CB 3.44Å; R57-A61 PolarHBondContact O-N 2.9Å; R57-P84 HydrophobicContact CB-CB 4.45Å; R57-P84 WeakPolarHBondContact CD-O 3.42Å; R57-P84 HydrophobicContact CG-CB 4.09Å; R57-P84 HydrophobicContact CG-CG 4.42Å; R57-P84 PolarHBondContact NH1-O 3.17Å; R57-P84 VanDerWaalsContact NH1-O 3.17Å; R57-E89 IonicContact CZ-OE1 3.55Å; R57-E89 VanDerWaalsContact CZ-OE1 3.24Å; R57-E89 IonicContact CZ-OE2 3.45Å; R57-E89 IonicContact NH1-OE1 2.87Å; R57-E89 PolarHBondContact NH1-OE1 2.96Å; R57-E89 IonicContact NH1-OE2 3.96Å; R57-E89 PolarHBondContact NH1-OE2 2.99Å; R57-E89 IonicContact NH2-OE1 3.19Å; R57-E89 PolarHBondContact NH2-OE1 3.28Å; R57-E89 IonicContact NH2-OE2 3.96Å; R57-H172 VanDerWaalsContact CZ-CE1 3.48Å; R57-H172 PolarHBondContact NH1-CE1 2.89Å; R57-H172 PolarHBondContact NH1-NE2 2.73Å; R57-H172 PolarHBondContact NH2-NE2 3.08Å; R57-P173 HydrophobicContact CG-CB 3.68Å; R57-I177 HydrophobicContact CG-CD1 4.02Å
58I94.3Very high88.6Confident89 Ų8969.7 Ų69.746%0.45635%0.35SS..Hα-helixtrans-59.7-41.6177.8-70.3168.1000110.5H54 I55 N60 A61 G62 Y116 P173H54-I58 VanDerWaalsContact O-CG1 3.31Å; H54-I58 WeakPolarHBondContact O-CG1 3.36Å; H54-I58 PolarHBondContact O-N 2.81Å; I55-I58 PolarHBondContact O-N 2.87Å; I58-N60 PolarHBondContact O-N 2.76Å; I58-A61 PolarHBondContact O-N 3.38Å; I58-G62 PolarHBondContact O-N 2.84Å; I58-Y116 HydrophobicContact CG2-CD1 4.3Å; I58-P173 HydrophobicContact CG1-CG 4.46Å
59K93.4Very high90.3Very high121 Ų12162.2 Ų62.253%0.52632%0.319SS..Hα-helixtrans-62.4-42.8176.2-179.1175.6-177.2171.40112.7I55 E56 R57 G62 K63I55-K59 WeakPolarHBondContact O-CB 3.23Å; I55-K59 PolarHBondContact O-N 2.83Å; E56-K59 PolarHBondContact O-N 2.8Å; R57-K59 VanDerWaalsContact C-N 3.27Å; R57-K59 PolarHBondContact O-N 3.06Å; K59-G62 PolarHBondContact O-N 2.77Å; K59-K63 PolarHBondContact O-N 2.98Å; K59-K63 VanDerWaalsContact O-N 3.1Å
60N93.8Very high91.6Very high37 Ų3759.9 Ų59.920%0.19830%0.302CS..Hα-helixtrans-69.8-36.4177.8-72.5-19.3000111.4E56 R57 I58 G62 K63 R64 I177E56-N60 WeakPolarHBondContact O-CB 3.25Å; E56-N60 VanDerWaalsContact O-CG 3.3Å; E56-N60 PolarHBondContact O-N 3.27Å; E56-N60 PolarHBondContact O-ND2 3.21Å; R57-N60 PolarHBondContact O-N 3Å; I58-N60 PolarHBondContact O-N 2.76Å; N60-G62 VanDerWaalsContact C-N 3.31Å; N60-K63 PolarHBondContact O-N 3.2Å; N60-R64 PolarHBondContact O-N 2.9Å; N60-I177 HydrophobicContact CB-CD1 3.69Å; N60-I177 HydrophobicContact CB-CG1 4.01Å
61A94.9Very high92.5Very high0 Ų052.3 Ų52.30%026%0.262CS..Hα-helixtrans-64.6-34.4172.300000111.7R57 I58 R64 Y116 P173 F176 I177R57-A61 WeakPolarHBondContact O-CB 3.44Å; R57-A61 PolarHBondContact O-N 2.9Å; I58-A61 PolarHBondContact O-N 3.38Å; A61-R64 WeakPolarHBondContact O-CD 3.4Å; A61-R64 PolarHBondContact O-N 3.23Å; A61-R64 PolarHBondContact O-NE 2.89Å; A61-Y116 HydrophobicContact CB-CD2 4.16Å; A61-Y116 HydrophobicContact CB-CG 4.1Å; A61-P173 HydrophobicContact CB-CB 3.93Å; A61-P173 WeakPolarHBondContact CB-O 3.47Å; A61-F176 HydrophobicContact CB-CB 4.26Å; A61-I177 HydrophobicContact CB-CD1 4.34Å; A61-I177 HydrophobicContact CB-CG1 4.07Å
62G93.2Very high92.9Very high19 Ų1946.1 Ų46.120%0.19624%0.237CC..Hα-helixtrans-68.8-36172.200000113.5I58 K59 N60 R64 Y116I58-G62 PolarHBondContact O-N 2.84Å; K59-G62 PolarHBondContact O-N 2.77Å; N60-G62 VanDerWaalsContact C-N 3.31Å; G62-R64 VanDerWaalsContact C-N 3.34Å; G62-R64 PolarHBondContact O-N 2.81Å; G62-Y116 WeakPolarHBondContact CA-O 3.33Å
63K91.5Very high92.9Very high81 Ų8147.6 Ų47.635%0.35224%0.24SC..Hα-helixtrans-70.1-27.7174.4-75-173.2170.4-159.40114.1K59 N60 H65K59-K63 PolarHBondContact O-N 2.98Å; K59-K63 VanDerWaalsContact O-N 3.1Å; N60-K63 PolarHBondContact O-N 3.2Å; K63-H65 PolarHBondContact O-N 2.88Å
64R92.9Very high92.7Very high1 Ų147.2 Ų47.20%0.00424%0.235CC..  trans64-58.2-175.6-56.5-63.8176.4122.6-4.7115.3N60 A61 G62 L115 N118 L120 F176 W178N60-R64 PolarHBondContact O-N 2.9Å; A61-R64 WeakPolarHBondContact O-CD 3.4Å; A61-R64 PolarHBondContact O-N 3.23Å; A61-R64 PolarHBondContact O-NE 2.89Å; G62-R64 VanDerWaalsContact C-N 3.34Å; G62-R64 PolarHBondContact O-N 2.81Å; R64-L115 PolarHBondContact NH2-O 3.05Å; R64-N118 HydrophobicContact CG-CB 4.23Å; R64-N118 PolarHBondContact NH2-O 3.37Å; R64-L120 PolarHBondContact NH1-O 3.09Å; R64-F176 WeakPolarHBondContact CA-O 2.94Å; R64-F176 WeakPolarHBondContact CD-O 3.06Å; R64-W178 HydrophobicContact CB-CE3 4.08Å; R64-W178 HydrophobicContact CB-CZ3 4.12Å; R64-W178 PolarHBondContact O-N 3.36Å
65H95.2Very high92.4Very high12 Ų1248.6 Ų48.66%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-100.3126.9-163-51.9-83.5000112.5K63 F67 F108 W178 H180K63-H65 PolarHBondContact O-N 2.88Å; H65-F67 HydrophobicContact CB-CD2 4.08Å; H65-F67 HydrophobicContact CB-CE2 3.34Å; H65-F67 HydrophobicContact CB-CZ 3.79Å; H65-F108 AromaticContact CE1-CE1 3.84Å; H65-F108 AromaticContact CE1-CZ 3.9Å; H65-W178 AromaticContact CE1-CE3 3.55Å; H65-W178 AromaticContact CE1-CZ3 3.51Å; H65-W178 AromaticContact ND1-CE3 3.74Å; H65-H180 AromaticContact CG-NE2 3.65Å; H65-H180 AromaticContact ND1-CD2 3.83Å; H65-H180 AromaticContact ND1-CE1 3.79Å; H65-H180 AromaticContact ND1-NE2 2.9Å; H65-H180 PolarHBondContact ND1-NE2 2.93Å
66Q95.4Very high92.3Very high50 Ų5047.1 Ų47.123%0.23424%0.237CC..EExtended strand (participates in β ladder)trans-121.5106.3175.5-54.4-63.2-25.400108.8I177 W178 Y179 H180Q66-I177 HydrophobicContact CG-CG2 4.17Å; Q66-W178 WeakPolarHBondContact CB-O 3.28Å; Q66-W178 PolarHBondContact N-O 3.46Å; Q66-Y179 HydrophobicContact CB-CD1 3.52Å; Q66-Y179 HydrophobicContact CB-CE1 3.73Å; Q66-Y179 HydrophobicContact CB-CG 4.23Å; Q66-Y179 HydrophobicContact CG-CD1 4.14Å; Q66-Y179 HydrophobicContact CG-CE1 3.89Å; Q66-Y179 CarbonylContact O-C 3.51Å; Q66-Y179 VanDerWaalsContact O-CA 3.31Å; Q66-Y179 WeakPolarHBondContact O-CA 3.44Å; Q66-H180 PolarHBondContact O-N 2.9Å
67F96.2Very high92.2Very high39 Ų3944 Ų4417%0.17122%0.222CC..EExtended strand (participates in β ladder)trans-96.7132.3-172-67.5-86.2000113H65 H180 I311 L314 S315 Y358 F360H65-F67 HydrophobicContact CB-CD2 4.08Å; H65-F67 HydrophobicContact CB-CE2 3.34Å; H65-F67 HydrophobicContact CB-CZ 3.79Å; F67-H180 HydrophobicContact CD1-CB 3.47Å; F67-H180 VanDerWaalsContact CD1-CB 3.47Å; F67-H180 AromaticContact CD1-CD2 3.89Å; F67-H180 AromaticContact CD1-CG 3.97Å; F67-H180 HydrophobicContact CE1-CB 3.66Å; F67-H180 AromaticContact CE1-CD2 3.49Å; F67-H180 VanDerWaalsContact CE1-CD2 3.49Å; F67-H180 WeakPolarHBondContact CE1-CD2 2.91Å; F67-H180 AromaticContact CE1-CG 3.69Å; F67-H180 HydrophobicContact CG-CB 4.3Å; F67-H180 AromaticContact CZ-CD2 3.65Å; F67-I311 HydrophobicContact CZ-CG2 3.73Å; F67-L314 HydrophobicContact CE2-CB 3.99Å; F67-S315 VanDerWaalsContact CD1-CB 3.46Å; F67-S315 VanDerWaalsContact CG-CA 3.48Å; F67-Y358 WeakPolarHBondContact CD1-OH 3.43Å; F67-F360 AromaticContact CE1-CD1 3.99Å; F67-F360 HydrophobicContact CE1-CD1 3.99Å; F67-F360 AromaticContact CE1-CE1 3.78Å; F67-F360 HydrophobicContact CE1-CE1 3.78Å; F67-F360 HydrophobicContact CE1-CE2 4.36Å; F67-F360 HydrophobicContact CE1-CG 4.36Å; F67-F360 AromaticContact CE1-CZ 3.96Å; F67-F360 HydrophobicContact CE1-CZ 3.96Å; F67-F360 HydrophobicContact CZ-CE1 4.02Å; F67-F360 HydrophobicContact CZ-CZ 4.21Å
68L95.1Very high92.1Very high47 Ų4749 Ų4925%0.24624%0.244CC..EExtended strand (participates in β ladder)trans-119.4114.2167.4-7481.6000108F70 F79 L81 Y179 H180 L181 Y182L68-F70 HydrophobicContact CB-CE2 3.89Å; L68-F70 HydrophobicContact CB-CZ 4.28Å; L68-F79 HydrophobicContact CD2-CB 4.1Å; L68-L81 HydrophobicContact CD1-CD2 4.18Å; L68-L81 HydrophobicContact CD2-CD2 4.08Å; L68-Y179 HydrophobicContact CD1-CD1 4.33Å; L68-H180 PolarHBondContact N-O 2.83Å; L68-L181 HydrophobicContact CB-CD1 4.34Å; L68-L181 HydrophobicContact CB-CG 4.19Å; L68-L181 HydrophobicContact CD1-CD1 4.27Å; L68-Y182 PolarHBondContact O-N 3.27Å
69L95.1Very high92Very high33 Ų3344.9 Ų44.917%0.17322%0.223CC..EExtended strand (participates in β ladder)trans-100.8136.6-176.1-56.6177.9000111.1I184 F316 F319 L341 Y358L69-I184 HydrophobicContact CD1-CD1 4.29Å; L69-F316 HydrophobicContact CD1-CD1 4.47Å; L69-F316 HydrophobicContact CD1-CE1 4.22Å; L69-F316 HydrophobicContact CD1-CZ 4.32Å; L69-F319 HydrophobicContact CD1-CE2 4.24Å; L69-L341 HydrophobicContact CB-CD1 3.91Å; L69-L341 HydrophobicContact CB-CD2 4.15Å; L69-L341 HydrophobicContact CD1-CD1 4.08Å; L69-L341 WeakPolarHBondContact O-CD2 3.48Å; L69-Y358 HydrophobicContact CD2-CE2 3.65Å
70F93.8Very high92Very high25 Ų2543.2 Ų43.211%0.1122%0.217CC..EExtended strand (participates in β ladder)trans-125.7158.3179.8-61.2-87.8000111.8L68 I77 F79 M159 L181 Y182 R183 I184L68-F70 HydrophobicContact CB-CE2 3.89Å; L68-F70 HydrophobicContact CB-CZ 4.28Å; F70-I77 HydrophobicContact CB-CG2 4.42Å; F70-I77 HydrophobicContact CD1-CB 4.04Å; F70-I77 HydrophobicContact CD1-CG2 3.51Å; F70-I77 HydrophobicContact CE1-CB 3.87Å; F70-I77 HydrophobicContact CE1-CG2 3.9Å; F70-I77 HydrophobicContact CG-CG2 4.02Å; F70-I77 HydrophobicContact CZ-CB 4.45Å; F70-I77 HydrophobicContact CZ-CD1 4.36Å; F70-F79 HydrophobicContact CZ-CB 4.35Å; F70-M159 HydrophobicContact CB-CE 3.82Å; F70-M159 HydrophobicContact CD1-CE 4.47Å; F70-M159 HydrophobicContact CD2-CE 3.51Å; F70-M159 HydrophobicContact CD2-SD 3.97Å; F70-M159 HydrophobicContact CE2-CE 4.16Å; F70-M159 HydrophobicContact CE2-SD 4.45Å; F70-M159 HydrophobicContact CG-CE 3.68Å; F70-L181 HydrophobicContact CE2-CB 4.11Å; F70-L181 HydrophobicContact CE2-CG 4.05Å; F70-Y182 PolarHBondContact N-O 3.38Å; F70-Y182 VanDerWaalsContact N-O 3.11Å; F70-R183 HydrophobicContact CB-CG 4.1Å; F70-R183 VanDerWaalsContact O-CA 3.3Å; F70-R183 WeakPolarHBondContact O-CA 3.33Å; F70-I184 PolarHBondContact O-N 2.98Å
71N91.7Very high92Very high17 Ų1741.4 Ų41.49%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-81.2143.9171.6-174.1-36.6000109.4N73 D74 Y340N71-N73 PolarHBondContact O-N 3.13Å; N71-N73 WeakPolarHBondContact OD1-CB 3.5Å; N71-N73 PolarHBondContact OD1-N 2.82Å; N71-D74 WeakPolarHBondContact CB-OD2 3.08Å; N71-D74 PolarHBondContact N-OD2 3.32Å; N71-D74 WeakPolarHBondContact O-CB 3.37Å; N71-D74 PolarHBondContact O-N 2.82Å; N71-Y340 PolarHBondContact ND2-O 3.11Å
72S87.7Confident91.9Very high12 Ų1246.2 Ų46.28%0.08423%0.227CC..THydrogen-bonded Turntrans-59.8-24.8173.761.10000115D74 I184 H185 S186 Q189S72-D74 PolarHBondContact O-N 2.78Å; S72-I184 PolarHBondContact N-O 2.76Å; S72-I184 VanDerWaalsContact N-O 3.15Å; S72-H185 WeakPolarHBondContact OG-CA 3Å; S72-S186 PolarHBondContact OG-N 2.93Å; S72-S186 VanDerWaalsContact OG-N 3.14Å; S72-Q189 PolarHBondContact OG-OE1 2.68Å
73N86.7Confident92Very high89 Ų8945.9 Ų45.948%0.47622%0.221SC..THydrogen-bonded Turntrans-74.9-14.6176-64.1-17.5000112.8N71 I75 Q189N71-N73 PolarHBondContact O-N 3.13Å; N71-N73 WeakPolarHBondContact OD1-CB 3.5Å; N71-N73 PolarHBondContact OD1-N 2.82Å; N73-I75 PolarHBondContact O-N 2.88Å; N73-Q189 PolarHBondContact OD1-NE2 2.88Å
74D87Confident92Very high39 Ų3943 Ų4321%0.20921%0.211CC..  trans-78.685.7176.6-60.5-31000109N71 S72 N76 I77 A155N71-D74 WeakPolarHBondContact CB-OD2 3.08Å; N71-D74 PolarHBondContact N-OD2 3.32Å; N71-D74 WeakPolarHBondContact O-CB 3.37Å; N71-D74 PolarHBondContact O-N 2.82Å; S72-D74 PolarHBondContact O-N 2.78Å; D74-N76 PolarHBondContact O-N 3.46Å; D74-I77 HydrophobicContact CB-CG2 4.09Å; D74-A155 WeakPolarHBondContact O-CB 3.36Å
75I85.8Confident91.9Very high109 Ų10944.4 Ų44.456%0.55922%0.218SC*.SBendtrans-64.7-32.1174.3-59169.5000110.3N73 A155N73-I75 PolarHBondContact O-N 2.88Å; I75-A155 WeakPolarHBondContact O-CB 3.4Å; I75-A155 PolarHBondContact O-N 2.86Å
76N88.2Confident91.7Very high85 Ų8544.1 Ų44.146%0.45522%0.217SC..EExtended strand (participates in β ladder)trans-116.5113.9-175.6-71.9-19.1000109.9D74 N152 I153D74-N76 PolarHBondContact O-N 3.46Å; N76-N152 HydrophobicContact CB-CB 3.64Å; N76-N152 PolarHBondContact OD1-O 3.34Å; N76-I153 CarbonylContact C-O 3.54Å; N76-I153 VanDerWaalsContact CA-O 3.29Å; N76-I153 WeakPolarHBondContact CA-O 3.15Å
77I90.2Very high91.2Very high4 Ų451.1 Ų51.12%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-112.1161.7-177.357.7161.5000112.3F70 D74 F79 I153 A155 M159F70-I77 HydrophobicContact CB-CG2 4.42Å; F70-I77 HydrophobicContact CD1-CB 4.04Å; F70-I77 HydrophobicContact CD1-CG2 3.51Å; F70-I77 HydrophobicContact CE1-CB 3.87Å; F70-I77 HydrophobicContact CE1-CG2 3.9Å; F70-I77 HydrophobicContact CG-CG2 4.02Å; F70-I77 HydrophobicContact CZ-CB 4.45Å; F70-I77 HydrophobicContact CZ-CD1 4.36Å; D74-I77 HydrophobicContact CB-CG2 4.09Å; I77-F79 HydrophobicContact CD1-CD1 3.94Å; I77-F79 HydrophobicContact CD1-CE1 4.15Å; I77-F79 HydrophobicContact CG1-CD1 4.5Å; I77-I153 HydrophobicContact CG1-CB 4.36Å; I77-I153 PolarHBondContact N-O 3.49Å; I77-I153 PolarHBondContact O-N 3.26Å; I77-A155 HydrophobicContact CD1-CB 4.4Å; I77-A155 HydrophobicContact CG1-CB 4.16Å; I77-A155 HydrophobicContact CG2-CB 4.02Å; I77-M159 HydrophobicContact CD1-CE 3.39Å; I77-M159 HydrophobicContact CD1-SD 4.24Å; I77-M159 HydrophobicContact CG1-CE 4.26Å; I77-M159 HydrophobicContact CG2-CE 3.81Å
78K91.6Very high90.7Very high119 Ų11956.2 Ų56.252%0.51728%0.279SS..EExtended strand (participates in β ladder)trans-133140.7171-61.4-176.2-175.6-169.40108.9G149 Y150 N152K78-G149 WeakPolarHBondContact CA-O 3.49Å; K78-G149 WeakPolarHBondContact CB-O 3.49Å; K78-Y150 WeakPolarHBondContact CD-O 3.42Å; K78-Y150 WeakPolarHBondContact CE-O 3.36Å; K78-Y150 PolarHBondContact NZ-O 2.97Å; K78-N152 WeakPolarHBondContact CE-OD1 3.49Å
79F92.8Very high90.4Very high4 Ų456.1 Ų56.12%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-155.1158.5-179.862.7-99.7000111.8L68 F70 I77 L81 L138 L147 I148 G149 I153 L181L68-F79 HydrophobicContact CD2-CB 4.1Å; F70-F79 HydrophobicContact CZ-CB 4.35Å; I77-F79 HydrophobicContact CD1-CD1 3.94Å; I77-F79 HydrophobicContact CD1-CE1 4.15Å; I77-F79 HydrophobicContact CG1-CD1 4.5Å; F79-L81 HydrophobicContact CD2-CD1 4.15Å; F79-L81 HydrophobicContact CD2-CD2 3.97Å; F79-L81 HydrophobicContact CD2-CG 3.7Å; F79-L81 HydrophobicContact CE2-CD1 4.01Å; F79-L81 HydrophobicContact CE2-CG 4Å; F79-L138 HydrophobicContact CE1-CD2 4.36Å; F79-L138 HydrophobicContact CE2-CD2 4.18Å; F79-L138 HydrophobicContact CZ-CD2 3.61Å; F79-L147 HydrophobicContact CE2-CD2 4.22Å; F79-L147 HydrophobicContact CE2-CG 4.25Å; F79-I148 WeakPolarHBondContact O-CA 3.44Å; F79-G149 PolarHBondContact N-O 3.43Å; F79-G149 VanDerWaalsContact N-O 3.16Å; F79-G149 PolarHBondContact O-N 3.42Å; F79-I153 HydrophobicContact CE1-CD1 4.07Å; F79-I153 HydrophobicContact CZ-CD1 4.42Å; F79-L181 HydrophobicContact CB-CD2 4.12Å; F79-L181 HydrophobicContact CD1-CD2 3.57Å; F79-L181 HydrophobicContact CD2-CD2 3.87Å; F79-L181 HydrophobicContact CE1-CD2 3.77Å; F79-L181 HydrophobicContact CE2-CD2 4.05Å; F79-L181 HydrophobicContact CG-CD2 3.6Å; F79-L181 HydrophobicContact CZ-CD2 3.98Å
80H92.7Very high90.2Very high85 Ų8560.8 Ų60.839%0.39430%0.298SS..EExtended strand (participates in β ladder)trans-134.7115.6176.2-63.7-106.5000108
81L95.2Very high89.9Confident0 Ų062.6 Ų62.60%031%0.309CS..EExtended strand (participates in β ladder)trans-109.8128.3178.9-45.6-175.9000109.4L68 F79 W96 Q146 L147 Y162 Y179 L181L68-L81 HydrophobicContact CD1-CD2 4.18Å; L68-L81 HydrophobicContact CD2-CD2 4.08Å; F79-L81 HydrophobicContact CD2-CD1 4.15Å; F79-L81 HydrophobicContact CD2-CD2 3.97Å; F79-L81 HydrophobicContact CD2-CG 3.7Å; F79-L81 HydrophobicContact CE2-CD1 4.01Å; F79-L81 HydrophobicContact CE2-CG 4Å; L81-W96 HydrophobicContact CB-CH2 3.63Å; L81-W96 HydrophobicContact CB-CZ2 4.11Å; L81-W96 HydrophobicContact CB-CZ3 4.26Å; L81-W96 HydrophobicContact CD1-CZ3 4.39Å; L81-Q146 CarbonylContact O-C 3.43Å; L81-Q146 VanDerWaalsContact O-CA 3.27Å; L81-Q146 WeakPolarHBondContact O-CA 3.34Å; L81-L147 HydrophobicContact CB-CB 4.38Å; L81-L147 HydrophobicContact CD1-CD2 4.24Å; L81-L147 PolarHBondContact N-O 2.92Å; L81-L147 PolarHBondContact O-N 3.25Å; L81-Y162 HydrophobicContact CD1-CD1 4.11Å; L81-Y162 HydrophobicContact CD1-CD2 4.01Å; L81-Y162 HydrophobicContact CD1-CG 3.65Å; L81-Y179 HydrophobicContact CB-CD1 4.49Å; L81-Y179 HydrophobicContact CB-CD2 4.38Å; L81-Y179 HydrophobicContact CB-CG 4.3Å; L81-Y179 HydrophobicContact CD1-CG 4.36Å; L81-Y179 HydrophobicContact CD2-CD1 4.07Å; L81-Y179 HydrophobicContact CD2-CG 4.16Å; L81-Y179 HydrophobicContact CG-CG 4.49Å; L81-L181 HydrophobicContact CD1-CD1 4.11Å; L81-L181 HydrophobicContact CD2-CD1 3.88Å
82Y92.8Very high89.8Confident101 Ų10167.9 Ų67.940%0.39634%0.337SS..  trans-87.8119.9-176.7-66-97.3000110P84 Q146 Y179Y82-P84 WeakPolarHBondContact O-CD 3.44Å; Y82-Q146 HydrophobicContact CD1-CG 4.07Å; Y82-Y179 WeakPolarHBondContact O-CE2 3.05Å; Y82-Y179 PolarHBondContact O-OH 2.62Å
83C93.8Very high90Very high11 Ų1168 Ų687%0.07434%0.338CS..  trans-81.6122.7166.4-171.50000108.6I85 W96 F145 C164C83-I85 HydrophobicContact CB-CD1 4.28Å; C83-I85 HydrophobicContact CB-CG1 4.18Å; C83-I85 PolarHBondContact O-N 3.47Å; C83-I85 VanDerWaalsContact SG-CD1 3.59Å; C83-I85 WeakPolarHBondContact SG-CG1 3.35Å; C83-W96 HydrophobicContact CB-CZ2 3.7Å; C83-F145 HydrophobicContact CB-CB 4.11Å; C83-F145 HydrophobicContact CB-CD1 4.29Å; C83-F145 VanDerWaalsContact CB-O 3.32Å; C83-F145 WeakPolarHBondContact CB-O 3.47Å; C83-C164 HydrophobicContact CB-CB 3.77Å; C83-C164 WeakPolarHBondContact CB-SG 3.43Å; C83-C164 WeakPolarHBondContact SG-CB 2.96Å; C83-C164 CovalentContact SG-SG 2.02Å; C83-C164 PolarHBondContact SG-SG 2.96Å
84P91.8Very high90.3Very high22 Ų2264.1 Ų64.114%0.14332%0.316CS..  trans-82.563.2-172.934-35.5000111.7R57 Y82 I177R57-P84 HydrophobicContact CB-CB 4.45Å; R57-P84 WeakPolarHBondContact CD-O 3.42Å; R57-P84 HydrophobicContact CG-CB 4.09Å; R57-P84 HydrophobicContact CG-CG 4.42Å; R57-P84 PolarHBondContact NH1-O 3.17Å; R57-P84 VanDerWaalsContact NH1-O 3.17Å; Y82-P84 WeakPolarHBondContact O-CD 3.44Å; P84-I177 HydrophobicContact CB-CD1 4.08Å; P84-I177 HydrophobicContact CG-CD1 3.62Å
85I91Very high90.6Very high29 Ų2965.3 Ų65.315%0.14932%0.32CS..  trans-92.6129.7178.2-49.9177.9000109.3C83 E89 L91 F94 F145C83-I85 HydrophobicContact CB-CD1 4.28Å; C83-I85 HydrophobicContact CB-CG1 4.18Å; C83-I85 PolarHBondContact O-N 3.47Å; C83-I85 VanDerWaalsContact SG-CD1 3.59Å; C83-I85 WeakPolarHBondContact SG-CG1 3.35Å; I85-E89 HydrophobicContact CG2-CB 3.78Å; I85-L91 HydrophobicContact CB-CD2 4.4Å; I85-L91 HydrophobicContact CD1-CD2 3.54Å; I85-L91 HydrophobicContact CG2-CD2 4.05Å; I85-F94 HydrophobicContact CB-CE2 4.46Å; I85-F94 HydrophobicContact CD1-CB 3.88Å; I85-F94 HydrophobicContact CD1-CD1 4.19Å; I85-F94 HydrophobicContact CD1-CD2 3.6Å; I85-F94 HydrophobicContact CD1-CE2 4.16Å; I85-F94 HydrophobicContact CD1-CG 3.62Å; I85-F94 HydrophobicContact CG1-CD1 4.02Å; I85-F94 HydrophobicContact CG1-CD2 3.9Å; I85-F94 HydrophobicContact CG1-CE1 4.08Å; I85-F94 HydrophobicContact CG1-CE2 3.98Å; I85-F94 HydrophobicContact CG1-CG 3.92Å; I85-F94 HydrophobicContact CG1-CZ 4.06Å; I85-F94 HydrophobicContact CG2-CD2 4.27Å; I85-F94 HydrophobicContact CG2-CE2 3.83Å; I85-F94 HydrophobicContact CG2-CZ 4.26Å; I85-F145 HydrophobicContact CD1-CB 3.54Å; I85-F145 HydrophobicContact CD1-CD1 4.16Å; I85-F145 HydrophobicContact CD1-CG 4.05Å
86C90.5Very high91.1Very high7 Ų760.3 Ų60.35%0.04730%0.295CS..  trans-90158.9176.4-600000111.3C53 N88 E89C53-C86 VanDerWaalsContact C-SG 3.58Å; C53-C86 HydrophobicContact CB-CB 3.91Å; C53-C86 WeakPolarHBondContact CB-SG 3.36Å; C53-C86 WeakPolarHBondContact SG-CA 2.94Å; C53-C86 WeakPolarHBondContact SG-CB 3.24Å; C53-C86 CovalentContact SG-SG 2.05Å; C53-C86 PolarHBondContact SG-SG 3.48Å; C86-N88 PolarHBondContact O-N 3.47Å; C86-E89 PolarHBondContact N-OE2 3.49Å; C86-E89 PolarHBondContact O-N 3.29Å
87Q86Confident91.4Very high196 Ų19657.3 Ų57.392%0.91628%0.278SS*.THydrogen-bonded Turntrans-57.5-23-170.8-69.3178.7-1700115.1
88N85.4Confident91.6Very high146 Ų14658 Ų5878%0.78128%0.281SS*.THydrogen-bonded Turntrans-93.70.9-176.6-59.8-7.8000113.3C86C86-N88 PolarHBondContact O-N 3.47Å
89E89.3Confident91.7Very high46 Ų4652.4 Ų52.422%0.21526%0.256CS..SBendtrans-102.5146.3-175.2-66.7170.9153.500111.2R57 I85 C86 F94 H172R57-E89 IonicContact CZ-OE1 3.55Å; R57-E89 VanDerWaalsContact CZ-OE1 3.24Å; R57-E89 IonicContact CZ-OE2 3.45Å; R57-E89 IonicContact NH1-OE1 2.87Å; R57-E89 PolarHBondContact NH1-OE1 2.96Å; R57-E89 IonicContact NH1-OE2 3.96Å; R57-E89 PolarHBondContact NH1-OE2 2.99Å; R57-E89 IonicContact NH2-OE1 3.19Å; R57-E89 PolarHBondContact NH2-OE1 3.28Å; R57-E89 IonicContact NH2-OE2 3.96Å; I85-E89 HydrophobicContact CG2-CB 3.78Å; C86-E89 PolarHBondContact N-OE2 3.49Å; C86-E89 PolarHBondContact O-N 3.29Å; E89-F94 HydrophobicContact CB-CE2 4.14Å; E89-H172 IonicContact OE1-CE1 2.75Å; E89-H172 IonicContact OE1-NE2 3.22Å; E89-H172 PolarHBondContact OE1-NE2 3.41Å; E89-H172 VanDerWaalsContact OE1-NE2 3.16Å
90Q89.6Confident91.7Very high130 Ų13052.2 Ų52.261%0.60726%0.255SS*.  trans-83.2124.4-179-54.5180-46.200110.2D92 T93 F94Q90-D92 VanDerWaalsContact C-N 3.29Å; Q90-D92 WeakPolarHBondContact CB-OD1 3.42Å; Q90-D92 PolarHBondContact O-N 3.43Å; Q90-T93 HydrophobicContact CB-CG2 4.05Å; Q90-T93 PolarHBondContact O-N 3.26Å; Q90-T93 PolarHBondContact O-OG1 2.94Å; Q90-F94 WeakPolarHBondContact O-CD2 3.41Å
91L88Confident91.4Very high63 Ų6349.5 Ų49.533%0.3324%0.242SC..G310 helixtrans-63.8-31.1-174.3-64.5171.6000113.6I85 T93 F94 F145I85-L91 HydrophobicContact CB-CD2 4.4Å; I85-L91 HydrophobicContact CD1-CD2 3.54Å; I85-L91 HydrophobicContact CG2-CD2 4.05Å; L91-T93 PolarHBondContact O-N 2.94Å; L91-F94 PolarHBondContact O-N 3.33Å; L91-F94 VanDerWaalsContact O-N 3.14Å; L91-F145 HydrophobicContact CD2-CB 4.23Å
92D88.9Confident91Very high128 Ų12855.8 Ų55.868%0.68427%0.267SS*.G310 helixtrans-69.4-14.6179.259.8-25.2000113.8Q90 F94Q90-D92 VanDerWaalsContact C-N 3.29Å; Q90-D92 WeakPolarHBondContact CB-OD1 3.42Å; Q90-D92 PolarHBondContact O-N 3.43Å; D92-F94 PolarHBondContact O-N 2.96Å
93T92.5Very high90.5Very high16 Ų1652.7 Ų52.710%0.09826%0.256CS..G310 helixtrans-80.8-4.817268.40000112.9Q90 L91 N166 L167 L168Q90-T93 HydrophobicContact CB-CG2 4.05Å; Q90-T93 PolarHBondContact O-N 3.26Å; Q90-T93 PolarHBondContact O-OG1 2.94Å; L91-T93 PolarHBondContact O-N 2.94Å; T93-N166 CarbonylContact O-C 3.5Å; T93-N166 WeakPolarHBondContact O-CA 3.43Å; T93-L167 PolarHBondContact O-N 3.12Å; T93-L168 HydrophobicContact CG2-CD1 3.43Å; T93-L168 VanDerWaalsContact CG2-CD1 3.43Å; T93-L168 HydrophobicContact CG2-CG 3.97Å
94F93.8Very high89.4Confident7 Ų761.3 Ų61.33%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-109.5142.7-179.9-66.7-96.3000112.4I85 E89 Q90 L91 D92 F145 R165 N166 H172 S174I85-F94 HydrophobicContact CB-CE2 4.46Å; I85-F94 HydrophobicContact CD1-CB 3.88Å; I85-F94 HydrophobicContact CD1-CD1 4.19Å; I85-F94 HydrophobicContact CD1-CD2 3.6Å; I85-F94 HydrophobicContact CD1-CE2 4.16Å; I85-F94 HydrophobicContact CD1-CG 3.62Å; I85-F94 HydrophobicContact CG1-CD1 4.02Å; I85-F94 HydrophobicContact CG1-CD2 3.9Å; I85-F94 HydrophobicContact CG1-CE1 4.08Å; I85-F94 HydrophobicContact CG1-CE2 3.98Å; I85-F94 HydrophobicContact CG1-CG 3.92Å; I85-F94 HydrophobicContact CG1-CZ 4.06Å; I85-F94 HydrophobicContact CG2-CD2 4.27Å; I85-F94 HydrophobicContact CG2-CE2 3.83Å; I85-F94 HydrophobicContact CG2-CZ 4.26Å; E89-F94 HydrophobicContact CB-CE2 4.14Å; Q90-F94 WeakPolarHBondContact O-CD2 3.41Å; L91-F94 PolarHBondContact O-N 3.33Å; L91-F94 VanDerWaalsContact O-N 3.14Å; D92-F94 PolarHBondContact O-N 2.96Å; F94-F145 HydrophobicContact CB-CD1 4.09Å; F94-F145 HydrophobicContact CB-CE1 3.98Å; F94-F145 VanDerWaalsContact O-CE1 3.26Å; F94-F145 WeakPolarHBondContact O-CE1 3.48Å; F94-F145 WeakPolarHBondContact O-CZ 3.39Å; F94-R165 CarbonylContact C-O 3.42Å; F94-R165 WeakPolarHBondContact CA-O 3.5Å; F94-N166 HydrophobicContact CD1-CB 4.2Å; F94-N166 HydrophobicContact CE1-CB 3.88Å; F94-N166 HydrophobicContact CZ-CB 4.32Å; F94-H172 AromaticContact CE1-CE1 3.69Å; F94-H172 AromaticContact CE1-ND1 3.89Å; F94-H172 AromaticContact CZ-CE1 3.7Å; F94-S174 WeakPolarHBondContact CE1-OG 3.43Å
95E93.6Very high88.8Confident63 Ų6366.2 Ų66.229%0.29430%0.303SS..EExtended strand (participates in β ladder)trans-139.2138.4176.6-173-176.8-146.900110.7Q97 T129 R165 L167E95-Q97 HydrophobicContact CG-CG 4.41Å; E95-Q97 PolarHBondContact OE2-NE2 2.98Å; E95-T129 WeakPolarHBondContact OE1-CG2 3.45Å; E95-R165 PolarHBondContact N-O 2.71Å; E95-R165 PolarHBondContact O-N 2.93Å; E95-L167 HydrophobicContact CB-CD1 4.15Å; E95-L167 HydrophobicContact CB-CD2 4.03Å; E95-L167 HydrophobicContact CB-CG 4.21Å
96W95.1Very high88.5Confident5 Ų569 Ų692%0.01932%0.316CS..EExtended strand (participates in β ladder)trans-83.7124.8171-80.3103000110.9L81 C83 I130 F145 L147 C164 Y179L81-W96 HydrophobicContact CB-CH2 3.63Å; L81-W96 HydrophobicContact CB-CZ2 4.11Å; L81-W96 HydrophobicContact CB-CZ3 4.26Å; L81-W96 HydrophobicContact CD1-CZ3 4.39Å; C83-W96 HydrophobicContact CB-CZ2 3.7Å; W96-I130 HydrophobicContact CB-CD1 3.76Å; W96-F145 AromaticContact CD1-CD1 3.88Å; W96-F145 AromaticContact CD1-CE1 3.81Å; W96-F145 AromaticContact NE1-CD1 3.82Å; W96-F145 PolarHBondContact NE1-O 3.44Å; W96-L147 HydrophobicContact CD2-CB 3.96Å; W96-L147 HydrophobicContact CD2-CD2 4.26Å; W96-L147 HydrophobicContact CE3-CD2 4.39Å; W96-L147 HydrophobicContact CG-CB 4.19Å; W96-L147 HydrophobicContact CG-CD2 4.39Å; W96-L147 HydrophobicContact CZ2-CB 4.04Å; W96-C164 HydrophobicContact CD2-CB 3.92Å; W96-C164 HydrophobicContact CE3-CB 3.9Å; W96-C164 HydrophobicContact CH2-CB 3.78Å; W96-C164 HydrophobicContact CZ2-CB 3.79Å; W96-C164 HydrophobicContact CZ3-CB 3.83Å; W96-Y179 AromaticContact CH2-CD2 3.97Å; W96-Y179 HydrophobicContact CH2-CD2 3.97Å; W96-Y179 AromaticContact CH2-CE2 3.96Å; W96-Y179 HydrophobicContact CH2-CE2 3.96Å; W96-Y179 HydrophobicContact CZ3-CD2 4.07Å; W96-Y179 HydrophobicContact CZ3-CE2 4.45Å
97Q95.1Very high88.4Confident22 Ų2268.7 Ų68.710%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-127.5158.5172.4-64.3-176.4-10.200109.4E95 L127 E128 T129 V163E95-Q97 HydrophobicContact CG-CG 4.41Å; E95-Q97 PolarHBondContact OE2-NE2 2.98Å; Q97-L127 HydrophobicContact CB-CB 4.42Å; Q97-L127 HydrophobicContact CB-CD2 4.18Å; Q97-E128 CarbonylContact C-O 3.6Å; Q97-E128 VanDerWaalsContact CA-O 3.24Å; Q97-E128 WeakPolarHBondContact CA-O 3.46Å; Q97-E128 WeakPolarHBondContact CB-O 3.48Å; Q97-T129 HydrophobicContact CG-CG2 4.46Å; Q97-V163 HydrophobicContact CB-CG1 4.39Å; Q97-V163 PolarHBondContact N-O 3.25Å; Q97-V163 PolarHBondContact O-N 3.08Å; Q97-V163 VanDerWaalsContact O-O 3.13Å
98Y94.8Very high88.6Confident19 Ų1959.5 Ų59.58%0.07527%0.27CS..EExtended strand (participates in β ladder)trans-148.5157179.681.9-59.1000112.7P100 E128 I130 T161 Y162Y98-P100 HydrophobicContact CD2-CG 4.32Å; Y98-P100 HydrophobicContact CE1-CG 4.43Å; Y98-P100 HydrophobicContact CE2-CB 3.89Å; Y98-P100 HydrophobicContact CE2-CG 3.7Å; Y98-E128 HydrophobicContact CD1-CB 4.38Å; Y98-E128 HydrophobicContact CE1-CB 4.12Å; Y98-E128 PolarHBondContact N-O 3.41Å; Y98-E128 PolarHBondContact O-N 3.39Å; Y98-I130 HydrophobicContact CD1-CG1 3.67Å; Y98-I130 HydrophobicContact CE1-CG1 4.11Å; Y98-I130 HydrophobicContact CG-CG1 4.45Å; Y98-T161 CarbonylContact C-O 3.57Å; Y98-T161 WeakPolarHBondContact CA-O 3.38Å; Y98-T161 WeakPolarHBondContact CB-O 3.4Å; Y98-Y162 VanDerWaalsContact CB-CD1 3.46Å; Y98-Y162 HydrophobicContact CD1-CE1 4.49Å; Y98-Y162 AromaticContact CD2-CE1 3.96Å; Y98-Y162 HydrophobicContact CD2-CE1 3.96Å; Y98-Y162 HydrophobicContact CD2-CE2 4.18Å; Y98-Y162 AromaticContact CD2-CZ 3.7Å; Y98-Y162 HydrophobicContact CG-CD1 4.17Å; Y98-Y162 AromaticContact CG-CE1 3.77Å; Y98-Y162 HydrophobicContact CG-CE1 3.77Å
99I93.6Very high88.8Confident0 Ų056 Ų560%025%0.251CS..EExtended strand (participates in β ladder)trans-103.4110.1168.8-54.8176.7000106.9I107 L122 L127 G160 T161I99-I107 HydrophobicContact CD1-CB 3.79Å; I99-I107 HydrophobicContact CD1-CG2 4.02Å; I99-I107 HydrophobicContact CG2-CG2 3.78Å; I99-L122 HydrophobicContact CD1-CD2 4.08Å; I99-L127 HydrophobicContact CD1-CD2 4.31Å; I99-L127 HydrophobicContact CG1-CD2 3.73Å; I99-L127 HydrophobicContact CG1-CG 4.25Å; I99-G160 CarbonylContact O-C 3.57Å; I99-G160 WeakPolarHBondContact O-CA 3.27Å; I99-T161 PolarHBondContact N-O 3.16Å; I99-T161 PolarHBondContact O-N 3.26Å
100P91.8Very high88.7Confident0 Ų058.3 Ų58.30%026%0.26CS..EExtended strand (participates in β ladder)trans-61143178.5-17.324000112.3Y98 Y102 K103 E128Y98-P100 HydrophobicContact CD2-CG 4.32Å; Y98-P100 HydrophobicContact CE1-CG 4.43Å; Y98-P100 HydrophobicContact CE2-CB 3.89Å; Y98-P100 HydrophobicContact CE2-CG 3.7Å; P100-Y102 VanDerWaalsContact C-N 3.26Å; P100-Y102 HydrophobicContact CB-CD1 3.52Å; P100-Y102 HydrophobicContact CB-CE1 3.14Å; P100-Y102 HydrophobicContact CB-CE2 4.39Å; P100-Y102 HydrophobicContact CB-CG 4.28Å; P100-Y102 HydrophobicContact CG-CE1 3.72Å; P100-Y102 PolarHBondContact O-N 3.48Å; P100-K103 WeakPolarHBondContact O-CB 3.34Å; P100-K103 PolarHBondContact O-N 3.24Å; P100-E128 HydrophobicContact CG-CG 4.44Å; P100-E128 WeakPolarHBondContact CG-OE2 3.48Å
101H87.7Confident88.5Confident28 Ų2852.7 Ų52.713%0.1324%0.237CC..THydrogen-bonded Turntrans-58.4-33.2178.7162.6-96.8000113.6K103 M159 Y182 E359 Q362 H363H101-K103 PolarHBondContact O-N 3.43Å; H101-M159 HydrophobicContact CB-CB 3.87Å; H101-M159 VanDerWaalsContact CB-O 3.29Å; H101-M159 WeakPolarHBondContact CB-O 3.39Å; H101-M159 PolarHBondContact N-O 2.92Å; H101-Y182 HydrophobicContact CB-CE1 4.12Å; H101-Y182 AromaticContact CD2-CD1 3.76Å; H101-Y182 AromaticContact CD2-CE1 3.73Å; H101-E359 IonicContact CD2-OE2 3.13Å; H101-E359 IonicContact CE1-OE1 2.62Å; H101-E359 WeakPolarHBondContact NE2-CB 3.4Å; H101-E359 WeakPolarHBondContact NE2-CG 3.29Å; H101-E359 IonicContact NE2-OE1 3.93Å; H101-E359 IonicContact NE2-OE2 2.9Å; H101-Q362 PolarHBondContact CD2-NE2 2.92Å; H101-Q362 PolarHBondContact NE2-NE2 2.84Å; H101-Q362 PolarHBondContact O-NE2 2.87Å; H101-Q362 VanDerWaalsContact O-NE2 3.12Å; H101-H363 AromaticContact CD2-NE2 3.98Å; H101-H363 PolarHBondContact O-CE1 2.96Å
102Y85.2Confident88.5Confident133 Ų13357.8 Ų57.852%0.52227%0.265SS..THydrogen-bonded Turntrans-68.2-18.4-178.166.6-101.8000113.4P100 R104 E128P100-Y102 VanDerWaalsContact C-N 3.26Å; P100-Y102 HydrophobicContact CB-CD1 3.52Å; P100-Y102 HydrophobicContact CB-CE1 3.14Å; P100-Y102 HydrophobicContact CB-CE2 4.39Å; P100-Y102 HydrophobicContact CB-CG 4.28Å; P100-Y102 HydrophobicContact CG-CE1 3.72Å; P100-Y102 PolarHBondContact O-N 3.48Å; Y102-R104 VanDerWaalsContact C-N 3.29Å; Y102-R104 PolarHBondContact O-N 2.91Å; Y102-E128 PolarHBondContact OH-OE1 3.5Å; Y102-E128 PolarHBondContact OH-OE2 2.86Å
103K83.6Confident88.4Confident35 Ų3559 Ų5915%0.15226%0.264CS..SBendtrans-74.681.1171.9-71.7-164.3-178.6176.70109.2P100 H101 Y105 Y126 E128 H363P100-K103 WeakPolarHBondContact O-CB 3.34Å; P100-K103 PolarHBondContact O-N 3.24Å; H101-K103 PolarHBondContact O-N 3.43Å; K103-Y105 HydrophobicContact CB-CD2 3.86Å; K103-Y105 HydrophobicContact CB-CE2 4.15Å; K103-Y105 PolarHBondContact O-N 3.16Å; K103-Y126 PolarHBondContact NZ-O 3.22Å; K103-Y126 VanDerWaalsContact NZ-O 3.08Å; K103-E128 WeakPolarHBondContact CE-OE1 3.44Å; K103-E128 VanDerWaalsContact NZ-CD 3.27Å; K103-E128 VanDerWaalsContact NZ-CG 3.29Å; K103-E128 IonicContact NZ-OE1 3.32Å; K103-E128 PolarHBondContact NZ-OE1 3.35Å; K103-H363 PolarHBondContact O-CE1 3.47Å
104R71Confident88.3Confident192 Ų19263.3 Ų63.373%0.72529%0.291SS*.  trans-67.857.8-176.5-63.4-176.3178.8166.91.9113.8Y102Y102-R104 VanDerWaalsContact C-N 3.29Å; Y102-R104 PolarHBondContact O-N 2.91Å
105Y78.4Confident88.1Confident125 Ų12564.7 Ų64.749%0.4930%0.298SS..SBendtrans-120.3158.1-179.4-56-73.2000111.2K103 I107 Y126 H363K103-Y105 HydrophobicContact CB-CD2 3.86Å; K103-Y105 HydrophobicContact CB-CE2 4.15Å; K103-Y105 PolarHBondContact O-N 3.16Å; Y105-I107 WeakPolarHBondContact O-CG2 3.19Å; Y105-I107 PolarHBondContact O-N 3.36Å; Y105-Y126 HydrophobicContact CD1-CE1 4.45Å; Y105-Y126 HydrophobicContact CD2-CD1 4.06Å; Y105-Y126 AromaticContact CD2-CE1 3.72Å; Y105-Y126 HydrophobicContact CD2-CE1 3.72Å; Y105-Y126 HydrophobicContact CE2-CE1 4.27Å; Y105-Y126 AromaticContact CG-CE1 3.84Å; Y105-Y126 HydrophobicContact CG-CE1 3.84Å; Y105-Y126 HydrophobicContact CG-CE2 4.46Å; Y105-Y126 AromaticContact CG-CZ 3.82Å; Y105-H363 PolarHBondContact O-ND1 3.4Å; Y105-H363 VanDerWaalsContact O-ND1 3.09Å
106Q84.5Confident87.9Confident88 Ų8865 Ų6541%0.41130%0.297SS..  trans-63113.2165.3-62.7178.6-10.600108.3Y126Q106-Y126 WeakPolarHBondContact O-CE2 3.3Å
107I88.9Confident87.5Confident0 Ų073.7 Ų73.70%034%0.338CS..  trans-90.7-8.6-174.668.6-179.3000112.8I99 Y105 L122 N123 T161 F360 H363I99-I107 HydrophobicContact CD1-CB 3.79Å; I99-I107 HydrophobicContact CD1-CG2 4.02Å; I99-I107 HydrophobicContact CG2-CG2 3.78Å; Y105-I107 WeakPolarHBondContact O-CG2 3.19Å; Y105-I107 PolarHBondContact O-N 3.36Å; I107-L122 HydrophobicContact CB-CD2 4.45Å; I107-L122 HydrophobicContact CD1-CD2 4.23Å; I107-L122 HydrophobicContact CG1-CD2 4.17Å; I107-L122 CarbonylContact O-C 3.52Å; I107-L122 WeakPolarHBondContact O-CA 3.34Å; I107-N123 PolarHBondContact O-N 3.41Å; I107-T161 HydrophobicContact CD1-CG2 4.39Å; I107-T161 WeakPolarHBondContact CD1-OG1 3.48Å; I107-F360 HydrophobicContact CD1-CE2 4.3Å; I107-H363 HydrophobicContact CD1-CB 3.88Å; I107-H363 HydrophobicContact CG1-CB 3.95Å; I107-H363 HydrophobicContact CG2-CB 4.06Å; I107-H363 PolarHBondContact N-O 3.05Å
108F90.6Very high87.1Confident3 Ų372.9 Ų72.91%0.01333%0.334CS..EExtended strand (participates in β ladder)trans-108.9147.2-178.1-55.7-65.9000110.6H65 L120 M121 L122 W178 H180 F360 L364 F365H65-F108 AromaticContact CE1-CE1 3.84Å; H65-F108 AromaticContact CE1-CZ 3.9Å; F108-L120 HydrophobicContact CB-CD1 3.74Å; F108-L120 HydrophobicContact CB-CD2 4.37Å; F108-L120 HydrophobicContact CB-CG 4.15Å; F108-L120 HydrophobicContact CD1-CD2 3.98Å; F108-L120 HydrophobicContact CD1-CG 4.22Å; F108-L120 HydrophobicContact CG-CD1 4.39Å; F108-L120 HydrophobicContact CG-CD2 4.14Å; F108-L120 HydrophobicContact CG-CG 4.38Å; F108-M121 CarbonylContact C-O 3.59Å; F108-M121 WeakPolarHBondContact CA-O 3.33Å; F108-L122 HydrophobicContact CD1-CD2 3.77Å; F108-L122 HydrophobicContact CE1-CD2 3.55Å; F108-W178 HydrophobicContact CD1-CE3 4.28Å; F108-W178 HydrophobicContact CD1-CH2 4.25Å; F108-W178 AromaticContact CD1-CZ3 3.68Å; F108-W178 HydrophobicContact CD1-CZ3 3.68Å; F108-W178 AromaticContact CE1-CE3 3.6Å; F108-W178 HydrophobicContact CE1-CE3 3.6Å; F108-W178 HydrophobicContact CE1-CH2 4.38Å; F108-W178 AromaticContact CE1-CZ3 3.44Å; F108-W178 HydrophobicContact CE1-CZ3 3.44Å; F108-W178 VanDerWaalsContact CE1-CZ3 3.44Å; F108-H180 AromaticContact CZ-CE1 3.78Å; F108-F360 HydrophobicContact CE2-CE2 4.13Å; F108-F360 AromaticContact CE2-CZ 3.66Å; F108-F360 HydrophobicContact CE2-CZ 3.66Å; F108-F360 HydrophobicContact CZ-CE2 4.08Å; F108-F360 AromaticContact CZ-CZ 3.74Å; F108-F360 HydrophobicContact CZ-CZ 3.74Å; F108-L364 HydrophobicContact CD2-CD2 4.45Å; F108-L364 HydrophobicContact CE2-CD2 4.14Å; F108-F365 HydrophobicContact CB-CE1 4.05Å; F108-F365 HydrophobicContact CB-CE2 3.64Å; F108-F365 HydrophobicContact CB-CZ 3.31Å; F108-F365 HydrophobicContact CG-CE2 4.46Å; F108-F365 WeakPolarHBondContact O-CE1 3.49Å
109I88.9Confident86.8Confident73 Ų7373.3 Ų73.337%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-134.2147.5173.655.7173.9000108.9G111 M121 N123I109-G111 PolarHBondContact O-N 3.3Å; I109-M121 HydrophobicContact CG1-CB 4.05Å; I109-M121 PolarHBondContact N-O 3.33Å; I109-M121 PolarHBondContact O-N 3.16Å; I109-N123 HydrophobicContact CG2-CB 4.13Å
110K87.7Confident86.7Confident94 Ų9473.3 Ų73.341%0.40934%0.338SS..EExtended strand (participates in β ladder)trans-76.1120.2170.7-172.1175.4178.4176.10108.6D300 Y303K110-D300 IonicContact NZ-OD1 2.85Å; K110-D300 PolarHBondContact NZ-OD1 3.49Å; K110-Y303 HydrophobicContact CD-CD1 4.09Å; K110-Y303 HydrophobicContact CD-CE1 3.84Å; K110-Y303 HydrophobicContact CG-CE1 4.12Å
111G85.6Confident86.7Confident12 Ų1275.7 Ų75.712%0.12435%0.35CS..EExtended strand (participates in β ladder)trans-82.3157.917700000112.1I109 K113 D119I109-G111 PolarHBondContact O-N 3.3Å; G111-K113 PolarHBondContact O-N 3.42Å; G111-D119 VanDerWaalsContact CA-O 3.32Å; G111-D119 WeakPolarHBondContact CA-O 3.49Å; G111-D119 PolarHBondContact N-O 3.18Å
112N86.5Confident86.8Confident171 Ų17174.9 Ų74.991%0.91435%0.346SS*.EExtended strand (participates in β ladder)trans-77.2-3.4179-59.64.3000113.2
113K88.3Confident87.1Confident154 Ų15470.3 Ų70.367%0.6733%0.331SS*.EExtended strand (participates in β ladder)trans-140.9138.2-177.3-65.5-176.8-179.3179.40109.9G111 L115G111-K113 PolarHBondContact O-N 3.42Å; K113-L115 PolarHBondContact O-N 2.81Å
114T89.3Confident87.4Confident106 Ų10673 Ų7365%0.6535%0.346SS*.EExtended strand (participates in β ladder)trans-76117.316851.80000109.6D119T114-D119 HydrophobicContact CG2-CB 3.93Å
115L89.7Confident88.3Confident35 Ų3571 Ų7118%0.18335%0.345CS..EExtended strand (participates in β ladder)trans-114.6130.9175.8-63.7172000108.4R64 K113 E117 N118 M171 F176R64-L115 PolarHBondContact NH2-O 3.05Å; K113-L115 PolarHBondContact O-N 2.81Å; L115-E117 VanDerWaalsContact C-N 3.27Å; L115-E117 PolarHBondContact O-N 3.31Å; L115-N118 CarbonylContact C-O 3.53Å; L115-N118 PolarHBondContact N-O 3.12Å; L115-N118 PolarHBondContact O-N 3.49Å; L115-M171 HydrophobicContact CD1-SD 3.44Å; L115-M171 WeakPolarHBondContact CD1-SD 3.49Å; L115-M171 HydrophobicContact CD2-SD 4.24Å; L115-F176 HydrophobicContact CD1-CE1 3.91Å; L115-F176 HydrophobicContact CD1-CE2 4.05Å; L115-F176 HydrophobicContact CD1-CZ 3.35Å
116Y90.6Very high88.9Confident70 Ų7067.3 Ų67.328%0.27533%0.331SS..THydrogen-bonded Turntrans49.548.6179.4-46.4-69.6000112.4I58 A61 G62 N118 M171 P173 F176I58-Y116 HydrophobicContact CG2-CD1 4.3Å; A61-Y116 HydrophobicContact CB-CD2 4.16Å; A61-Y116 HydrophobicContact CB-CG 4.1Å; G62-Y116 WeakPolarHBondContact CA-O 3.33Å; Y116-N118 PolarHBondContact O-N 3.45Å; Y116-M171 PolarHBondContact OH-O 3.01Å; Y116-P173 HydrophobicContact CE1-CB 4.43Å; Y116-P173 HydrophobicContact CE1-CG 3.97Å; Y116-P173 HydrophobicContact CE2-CB 4.45Å; Y116-P173 HydrophobicContact CE2-CG 4.45Å; Y116-P173 VanDerWaalsContact OH-CD 3.29Å; Y116-P173 WeakPolarHBondContact OH-CD 3.35Å; Y116-P173 VanDerWaalsContact OH-CG 3.32Å; Y116-P173 WeakPolarHBondContact OH-CG 3.33Å; Y116-F176 HydrophobicContact CD2-CB 4.41Å; Y116-F176 AromaticContact CD2-CD2 3.75Å; Y116-F176 HydrophobicContact CD2-CD2 3.75Å; Y116-F176 HydrophobicContact CD2-CE2 4.31Å; Y116-F176 HydrophobicContact CD2-CG 4.21Å; Y116-F176 AromaticContact CE2-CD2 3.43Å; Y116-F176 HydrophobicContact CE2-CD2 3.43Å; Y116-F176 VanDerWaalsContact CE2-CD2 3.43Å; Y116-F176 AromaticContact CE2-CE2 3.75Å; Y116-F176 HydrophobicContact CE2-CE2 3.75Å; Y116-F176 HydrophobicContact CE2-CG 4.32Å
117E85.7Confident89.3Confident188 Ų18864.3 Ų64.388%0.87932%0.317SS*.THydrogen-bonded Turntrans68.39.7178.6-48.7171.3-177.700115.9L115L115-E117 VanDerWaalsContact C-N 3.27Å; L115-E117 PolarHBondContact O-N 3.31Å
118N87Confident89.5Confident5 Ų566.8 Ų66.83%0.02733%0.329CS..EExtended strand (participates in β ladder)trans-145134.5176.6-159.7-26.5000111.9R64 L115 Y116 L120R64-N118 HydrophobicContact CG-CB 4.23Å; R64-N118 PolarHBondContact NH2-O 3.37Å; L115-N118 CarbonylContact C-O 3.53Å; L115-N118 PolarHBondContact N-O 3.12Å; L115-N118 PolarHBondContact O-N 3.49Å; Y116-N118 PolarHBondContact O-N 3.45Å; N118-L120 WeakPolarHBondContact OD1-CB 3.36Å; N118-L120 PolarHBondContact OD1-N 3.36Å
119D89.2Confident89.5Confident28 Ų2870.2 Ų70.215%0.1535%0.35CS..EExtended strand (participates in β ladder)trans-89.3-7.6174.654.9-25000113.2G111 T114 Y303G111-D119 VanDerWaalsContact CA-O 3.32Å; G111-D119 WeakPolarHBondContact CA-O 3.49Å; G111-D119 PolarHBondContact N-O 3.18Å; T114-D119 HydrophobicContact CG2-CB 3.93Å; D119-Y303 PolarHBondContact OD1-OH 3.13Å; D119-Y303 PolarHBondContact OD2-OH 2.73Å
120L90.5Very high89.4Confident0 Ų067 Ų670%033%0.334CS..EExtended strand (participates in β ladder)trans-65.3134.4175-163.667.9000112R64 F108 N118 W178 I311 F365R64-L120 PolarHBondContact NH1-O 3.09Å; F108-L120 HydrophobicContact CB-CD1 3.74Å; F108-L120 HydrophobicContact CB-CD2 4.37Å; F108-L120 HydrophobicContact CB-CG 4.15Å; F108-L120 HydrophobicContact CD1-CD2 3.98Å; F108-L120 HydrophobicContact CD1-CG 4.22Å; F108-L120 HydrophobicContact CG-CD1 4.39Å; F108-L120 HydrophobicContact CG-CD2 4.14Å; F108-L120 HydrophobicContact CG-CG 4.38Å; N118-L120 WeakPolarHBondContact OD1-CB 3.36Å; N118-L120 PolarHBondContact OD1-N 3.36Å; L120-W178 HydrophobicContact CB-CH2 4.49Å; L120-W178 HydrophobicContact CD2-CH2 4.44Å; L120-W178 HydrophobicContact CD2-CZ3 4.03Å; L120-W178 HydrophobicContact CG-CH2 4.24Å; L120-W178 HydrophobicContact CG-CZ3 4.31Å; L120-I311 HydrophobicContact CD2-CD1 3.85Å; L120-F365 HydrophobicContact CD1-CE2 3.54Å; L120-F365 HydrophobicContact CD1-CZ 3.39Å
121M91.4Very high89Confident50 Ų5069.9 Ų69.925%0.24635%0.349CS..EExtended strand (participates in β ladder)trans-130153.5175.7-58-176.876.300110.8F108 I109 F176F108-M121 CarbonylContact C-O 3.59Å; F108-M121 WeakPolarHBondContact CA-O 3.33Å; I109-M121 HydrophobicContact CG1-CB 4.05Å; I109-M121 PolarHBondContact N-O 3.33Å; I109-M121 PolarHBondContact O-N 3.16Å; M121-F176 HydrophobicContact CE-CE1 3.99Å; M121-F176 HydrophobicContact CE-CZ 4.35Å
122L91.4Very high88.2Confident10 Ų1072.3 Ų72.35%0.05236%0.359CS..EExtended strand (participates in β ladder)trans-74141.6166.6-77.1175.2000109.6I99 I107 F108 N124 T161 V163 W178I99-L122 HydrophobicContact CD1-CD2 4.08Å; I107-L122 HydrophobicContact CB-CD2 4.45Å; I107-L122 HydrophobicContact CD1-CD2 4.23Å; I107-L122 HydrophobicContact CG1-CD2 4.17Å; I107-L122 CarbonylContact O-C 3.52Å; I107-L122 WeakPolarHBondContact O-CA 3.34Å; F108-L122 HydrophobicContact CD1-CD2 3.77Å; F108-L122 HydrophobicContact CE1-CD2 3.55Å; L122-N124 PolarHBondContact O-N 3.36Å; L122-N124 VanDerWaalsContact O-N 3.12Å; L122-T161 HydrophobicContact CD1-CG2 4.21Å; L122-T161 HydrophobicContact CD2-CG2 4.17Å; L122-V163 HydrophobicContact CD1-CB 4.39Å; L122-V163 HydrophobicContact CD1-CG1 4.36Å; L122-W178 HydrophobicContact CB-CZ2 4.36Å; L122-W178 HydrophobicContact CD1-CB 4.44Å; L122-W178 HydrophobicContact CD1-CD2 3.84Å; L122-W178 HydrophobicContact CD1-CG 3.66Å; L122-W178 HydrophobicContact CD1-CZ2 4.49Å; L122-W178 HydrophobicContact CD2-CD2 4.27Å; L122-W178 HydrophobicContact CD2-CE3 4.34Å; L122-W178 HydrophobicContact CG-CD2 3.73Å; L122-W178 HydrophobicContact CG-CE3 4.2Å; L122-W178 HydrophobicContact CG-CG 4.12Å; L122-W178 HydrophobicContact CG-CH2 4.25Å; L122-W178 HydrophobicContact CG-CZ2 3.81Å; L122-W178 HydrophobicContact CG-CZ3 4.43Å
123N90.8Very high87.4Confident37 Ų3768 Ų6820%0.19834%0.336CS..  trans-74.3102.5171.1-172.2-15.7000109.7I107 I109 H125 Y126I107-N123 PolarHBondContact O-N 3.41Å; I109-N123 HydrophobicContact CG2-CB 4.13Å; N123-H125 PolarHBondContact O-N 2.98Å; N123-H125 VanDerWaalsContact O-N 3.09Å; N123-H125 VanDerWaalsContact OD1-CB 3.24Å; N123-H125 WeakPolarHBondContact OD1-CB 3.25Å; N123-H125 PolarHBondContact OD1-N 2.92Å; N123-H125 VanDerWaalsContact OD1-N 3.09Å; N123-Y126 HydrophobicContact CB-CD2 3.81Å; N123-Y126 HydrophobicContact CB-CE2 4.05Å; N123-Y126 VanDerWaalsContact ND2-CE2 3.27Å; N123-Y126 WeakPolarHBondContact ND2-CE2 3.26Å; N123-Y126 PolarHBondContact O-N 2.78Å
124N89.9Confident86.2Confident91 Ų9166.3 Ų66.349%0.48734%0.343SS..G310 helixtrans-60.2-20.8-177.6-68.4-21.6000113.7L122 Y126 L127L122-N124 PolarHBondContact O-N 3.36Å; L122-N124 VanDerWaalsContact O-N 3.12Å; N124-Y126 PolarHBondContact O-N 3.1Å; N124-L127 HydrophobicContact CB-CD1 4.24Å; N124-L127 PolarHBondContact O-N 2.86Å; N124-L127 WeakPolarHBondContact OD1-CD1 3.5Å
125H90.4Very high85Confident151 Ų15168.9 Ų68.970%0.69935%0.348SS*.G310 helixtrans-61.7-26.2178.2-176.965.9000113.1N123N123-H125 PolarHBondContact O-N 2.98Å; N123-H125 VanDerWaalsContact O-N 3.09Å; N123-H125 VanDerWaalsContact OD1-CB 3.24Å; N123-H125 WeakPolarHBondContact OD1-CB 3.25Å; N123-H125 PolarHBondContact OD1-N 2.92Å; N123-H125 VanDerWaalsContact OD1-N 3.09Å
126Y91Very high84Confident47 Ų4768.1 Ų68.118%0.18434%0.344CS..G310 helixtrans-94.9-8.1-177.6-58.2-55000114.4K103 Y105 Q106 N123 N124K103-Y126 PolarHBondContact NZ-O 3.22Å; K103-Y126 VanDerWaalsContact NZ-O 3.08Å; Y105-Y126 HydrophobicContact CD1-CE1 4.45Å; Y105-Y126 HydrophobicContact CD2-CD1 4.06Å; Y105-Y126 AromaticContact CD2-CE1 3.72Å; Y105-Y126 HydrophobicContact CD2-CE1 3.72Å; Y105-Y126 HydrophobicContact CE2-CE1 4.27Å; Y105-Y126 AromaticContact CG-CE1 3.84Å; Y105-Y126 HydrophobicContact CG-CE1 3.84Å; Y105-Y126 HydrophobicContact CG-CE2 4.46Å; Y105-Y126 AromaticContact CG-CZ 3.82Å; Q106-Y126 WeakPolarHBondContact O-CE2 3.3Å; N123-Y126 HydrophobicContact CB-CD2 3.81Å; N123-Y126 HydrophobicContact CB-CE2 4.05Å; N123-Y126 VanDerWaalsContact ND2-CE2 3.27Å; N123-Y126 WeakPolarHBondContact ND2-CE2 3.26Å; N123-Y126 PolarHBondContact O-N 2.78Å; N124-Y126 PolarHBondContact O-N 3.1Å
127L92.7Very high83.6Confident25 Ų2567.5 Ų67.513%0.13135%0.346CS..  trans-67.6132.6-179.8-72.7170.4000110.7Q97 I99 N124 V163Q97-L127 HydrophobicContact CB-CB 4.42Å; Q97-L127 HydrophobicContact CB-CD2 4.18Å; I99-L127 HydrophobicContact CD1-CD2 4.31Å; I99-L127 HydrophobicContact CG1-CD2 3.73Å; I99-L127 HydrophobicContact CG1-CG 4.25Å; N124-L127 HydrophobicContact CB-CD1 4.24Å; N124-L127 PolarHBondContact O-N 2.86Å; N124-L127 WeakPolarHBondContact OD1-CD1 3.5Å; L127-V163 HydrophobicContact CD1-CG1 4.48Å; L127-V163 HydrophobicContact CD2-CG1 3.66Å
128E92.5Very high83.7Confident53 Ų5358.6 Ų58.625%0.24830%0.304CS..EExtended strand (participates in β ladder)trans-116.9146.9173.1-62.7-175.7168.600110Q97 Y98 P100 Y102 K103Q97-E128 CarbonylContact C-O 3.6Å; Q97-E128 VanDerWaalsContact CA-O 3.24Å; Q97-E128 WeakPolarHBondContact CA-O 3.46Å; Q97-E128 WeakPolarHBondContact CB-O 3.48Å; Y98-E128 HydrophobicContact CD1-CB 4.38Å; Y98-E128 HydrophobicContact CE1-CB 4.12Å; Y98-E128 PolarHBondContact N-O 3.41Å; Y98-E128 PolarHBondContact O-N 3.39Å; P100-E128 HydrophobicContact CG-CG 4.44Å; P100-E128 WeakPolarHBondContact CG-OE2 3.48Å; Y102-E128 PolarHBondContact OH-OE1 3.5Å; Y102-E128 PolarHBondContact OH-OE2 2.86Å; K103-E128 WeakPolarHBondContact CE-OE1 3.44Å; K103-E128 VanDerWaalsContact NZ-CD 3.27Å; K103-E128 VanDerWaalsContact NZ-CG 3.29Å; K103-E128 IonicContact NZ-OE1 3.32Å; K103-E128 PolarHBondContact NZ-OE1 3.35Å
129T90Very high83.8Confident74 Ų7458.4 Ų58.445%0.45430%0.303SS..EExtended strand (participates in β ladder)trans-71.3141.9164.549.40000109.1E95 Q97 E131E95-T129 WeakPolarHBondContact OE1-CG2 3.45Å; Q97-T129 HydrophobicContact CG-CG2 4.46Å; T129-E131 PolarHBondContact O-N 2.83Å
130I87.2Confident83.9Confident7 Ų757.7 Ų57.74%0.03630%0.299CS..PPolyproline II helixtrans-76.7116.2177.4-53.8171.1000108L37 W96 Y98 L138 L147 Y162L37-I130 HydrophobicContact CD1-CB 3.99Å; L37-I130 HydrophobicContact CD1-CD1 4.11Å; L37-I130 HydrophobicContact CD1-CG2 4.26Å; L37-I130 HydrophobicContact CD2-CB 4.23Å; L37-I130 HydrophobicContact CD2-CG2 3.75Å; L37-I130 HydrophobicContact CG-CB 4.38Å; L37-I130 HydrophobicContact CG-CG2 4.43Å; W96-I130 HydrophobicContact CB-CD1 3.76Å; Y98-I130 HydrophobicContact CD1-CG1 3.67Å; Y98-I130 HydrophobicContact CE1-CG1 4.11Å; Y98-I130 HydrophobicContact CG-CG1 4.45Å; I130-L138 HydrophobicContact CG2-CD1 3.82Å; I130-L147 HydrophobicContact CD1-CD1 4.17Å; I130-L147 HydrophobicContact CD1-CD2 3.52Å; I130-Y162 HydrophobicContact CD1-CD1 4.03Å; I130-Y162 HydrophobicContact CD1-CE1 3.79Å; I130-Y162 HydrophobicContact CG1-CE1 4.4Å
131E79.7Confident83.8Confident154 Ų15457.9 Ų57.972%0.7230%0.3SS*.PPolyproline II helixtrans-68.8133.3179.3-64.7-179.9174.600111.6T129 N133 N136T129-E131 PolarHBondContact O-N 2.83Å; E131-N133 PolarHBondContact O-N 3.07Å; E131-N136 PolarHBondContact O-ND2 2.89Å; E131-N136 VanDerWaalsContact O-ND2 3.07Å
132D68.5Low83.4Confident63 Ų6362.8 Ų62.834%0.33732%0.32SS..  trans-80.4114.8170.1-162.341.5000108.4K38K38-D132 PolarHBondContact N-OD1 3.18Å
133N69Low83Confident80 Ų8068.5 Ų68.543%0.42834%0.344SS..  trans-123.7140.2170.5-161.9-3.1000107.3E131 E135 N136E131-N133 PolarHBondContact O-N 3.07Å; N133-E135 PolarHBondContact O-N 3.4Å; N133-E135 VanDerWaalsContact O-N 3.13Å; N133-N136 HydrophobicContact CB-CB 4.35Å; N133-N136 VanDerWaalsContact CB-CG 3.43Å; N133-N136 WeakPolarHBondContact CB-ND2 3.25Å; N133-N136 PolarHBondContact N-ND2 3Å; N133-N136 WeakPolarHBondContact O-CB 3.42Å; N133-N136 PolarHBondContact O-N 2.87Å
134S62.8Low82.7Confident118 Ų11868.4 Ų68.483%0.82534%0.344SS*.THydrogen-bonded Turntrans-62.4-23.7-176.357.60000112.9
135E65.5Low82.7Confident160 Ų16065.7 Ų65.775%0.74833%0.328SS*.THydrogen-bonded Turntrans-83.1-8.3173.9-61.7-173.9166.900113.7N133 N137N133-E135 PolarHBondContact O-N 3.4Å; N133-E135 VanDerWaalsContact O-N 3.13Å; E135-N137 PolarHBondContact O-N 3.45Å
136N68.7Low82.7Confident20 Ų2059 Ų5911%0.10730%0.297CS..  trans-79.5121.2-177.5-67-15000111E131 N133 L138 Y158E131-N136 PolarHBondContact O-ND2 2.89Å; E131-N136 VanDerWaalsContact O-ND2 3.07Å; N133-N136 HydrophobicContact CB-CB 4.35Å; N133-N136 VanDerWaalsContact CB-CG 3.43Å; N133-N136 WeakPolarHBondContact CB-ND2 3.25Å; N133-N136 PolarHBondContact N-ND2 3Å; N133-N136 WeakPolarHBondContact O-CB 3.42Å; N133-N136 PolarHBondContact O-N 2.87Å; N136-L138 PolarHBondContact O-N 3.28Å; N136-Y158 PolarHBondContact ND2-OH 3.12Å; N136-Y158 PolarHBondContact OD1-OH 3.31Å
137N81.3Confident82.9Confident57 Ų5756.8 Ų56.831%0.30529%0.288SS..  trans-80.628.6174.4-67.1-47.7000113.3E135 Y150 H151 I153E135-N137 PolarHBondContact O-N 3.45Å; N137-Y150 WeakPolarHBondContact O-CD1 3.31Å; N137-Y150 WeakPolarHBondContact O-CE1 3.5Å; N137-Y150 PolarHBondContact O-N 2.95Å; N137-H151 HydrophobicContact CB-CB 3.83Å; N137-H151 VanDerWaalsContact CB-O 3.25Å; N137-H151 WeakPolarHBondContact CB-O 3.29Å; N137-H151 VanDerWaalsContact CG-CB 3.49Å; N137-H151 VanDerWaalsContact CG-O 3.26Å; N137-H151 PolarHBondContact ND2-O 3.46Å; N137-I153 HydrophobicContact CB-CG1 3.99Å
138L89Confident82.8Confident1 Ų155.6 Ų55.61%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-97.1140.2173.5-75171.1000109.8F79 I130 N136 L147 I148 I153 Y158F79-L138 HydrophobicContact CE1-CD2 4.36Å; F79-L138 HydrophobicContact CE2-CD2 4.18Å; F79-L138 HydrophobicContact CZ-CD2 3.61Å; I130-L138 HydrophobicContact CG2-CD1 3.82Å; N136-L138 PolarHBondContact O-N 3.28Å; L138-L147 HydrophobicContact CD2-CD1 4.29Å; L138-L147 HydrophobicContact CD2-CG 4.49Å; L138-I148 WeakPolarHBondContact CA-O 3.49Å; L138-I153 HydrophobicContact CD2-CD1 3.29Å; L138-I153 HydrophobicContact CG-CD1 3.59Å; L138-Y158 HydrophobicContact CD1-CD1 3.45Å; L138-Y158 VanDerWaalsContact CD1-CD1 3.45Å; L138-Y158 HydrophobicContact CD1-CE1 3.17Å; L138-Y158 HydrophobicContact CD1-CG 4.23Å; L138-Y158 HydrophobicContact CG-CE1 4.34Å
139C88.6Confident82.7Confident1 Ų153 Ų531%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-149.6157.6172.365.90000111.6K38 C40 I148 Y150K38-C139 CarbonylContact O-C 3.48Å; K38-C139 WeakPolarHBondContact O-CA 3.48Å; K38-C139 WeakPolarHBondContact O-CB 3.26Å; C40-C139 WeakPolarHBondContact CA-SG 3.15Å; C40-C139 HydrophobicContact CB-CB 3.94Å; C40-C139 WeakPolarHBondContact CB-SG 3.47Å; C40-C139 WeakPolarHBondContact SG-CB 3.41Å; C40-C139 CovalentContact SG-SG 2.04Å; C40-C139 PolarHBondContact SG-SG 2.81Å; C139-I148 PolarHBondContact N-O 2.84Å; C139-I148 PolarHBondContact O-N 3.47Å; C139-Y150 HydrophobicContact CB-CE1 4.18Å; C139-Y150 VanDerWaalsContact SG-CE1 3.55Å
140I90.1Very high82.4Confident12 Ų1252 Ų526%0.06226%0.258CS..EExtended strand (participates in β ladder)trans-101.1130.6171.4-63.6-179.2000109.7L37 K38 L39 C40 K142 F145 Q146 L147L37-I140 HydrophobicContact CB-CD1 3.67Å; L37-I140 HydrophobicContact CB-CG1 3.87Å; L37-I140 HydrophobicContact CD1-CD1 3.59Å; L37-I140 HydrophobicContact CD1-CG1 3.86Å; L37-I140 HydrophobicContact CG-CD1 4.28Å; K38-I140 PolarHBondContact O-N 3.35Å; L39-I140 CarbonylContact C-O 3.54Å; L39-I140 WeakPolarHBondContact CA-O 3.49Å; C40-I140 PolarHBondContact N-O 3.41Å; I140-K142 PolarHBondContact O-N 3.31Å; I140-F145 HydrophobicContact CD1-CE1 4.34Å; I140-F145 HydrophobicContact CD1-CE2 4.02Å; I140-F145 HydrophobicContact CD1-CZ 3.89Å; I140-F145 HydrophobicContact CG2-CB 4.42Å; I140-F145 HydrophobicContact CG2-CD2 3.52Å; I140-F145 HydrophobicContact CG2-CE2 3.88Å; I140-F145 HydrophobicContact CG2-CG 3.95Å; I140-Q146 CarbonylContact C-O 3.58Å; I140-Q146 VanDerWaalsContact CA-O 3.31Å; I140-Q146 WeakPolarHBondContact CA-O 3.39Å; I140-L147 HydrophobicContact CG1-CD1 4.36Å
141H88.6Confident81.9Confident5 Ų556.7 Ų56.72%0.02328%0.28CS..  trans-78.1121.9173.2-178-98.9000111.4D43 I44 K143 N144 F145 Q146 I148D43-H141 IonicContact OD1-NE2 3.68Å; I44-H141 HydrophobicContact CD1-CB 3.91Å; I44-H141 PolarHBondContact N-NE2 3.46Å; H141-K143 VanDerWaalsContact C-N 3.31Å; H141-K143 PolarHBondContact O-N 3.35Å; H141-K143 VanDerWaalsContact O-N 3.13Å; H141-N144 WeakPolarHBondContact CB-OD1 3.12Å; H141-N144 VanDerWaalsContact ND1-CG 3.33Å; H141-N144 PolarHBondContact ND1-ND2 3.19Å; H141-N144 PolarHBondContact ND1-OD1 3.34Å; H141-N144 PolarHBondContact O-N 3.16Å; H141-F145 WeakPolarHBondContact O-CA 3.49Å; H141-F145 PolarHBondContact O-N 3.21Å; H141-Q146 HydrophobicContact CB-CB 4.19Å; H141-Q146 PolarHBondContact N-O 3.32Å; H141-I148 HydrophobicContact CB-CD1 3.64Å
142K83.3Confident81.7Confident152 Ų15253.7 Ų53.766%0.66127%0.268SS*.THydrogen-bonded Turntrans-54.1-37.4-169.3-170.5175.7179.9175.80115L39 I140L39-K142 HydrophobicContact CD1-CD 4.4Å; L39-K142 HydrophobicContact CD2-CB 4.03Å; L39-K142 HydrophobicContact CD2-CG 4.33Å; I140-K142 PolarHBondContact O-N 3.31Å
143K82.7Confident82.5Confident130 Ų13050.9 Ų50.957%0.56525%0.254SS*.THydrogen-bonded Turntrans-82.7-27.3-170.5-68.5172.7-178.31490114.6D43 H141D43-K143 IonicContact OD1-NZ 3.35Å; D43-K143 PolarHBondContact OD1-NZ 3.14Å; H141-K143 VanDerWaalsContact C-N 3.31Å; H141-K143 PolarHBondContact O-N 3.35Å; H141-K143 VanDerWaalsContact O-N 3.13Å
144N84.6Confident83.3Confident35 Ų3550.2 Ų50.219%0.18725%0.25CC..THydrogen-bonded Turntrans-138.37.5-169.460.310.4000113H141 Q146H141-N144 WeakPolarHBondContact CB-OD1 3.12Å; H141-N144 VanDerWaalsContact ND1-CG 3.33Å; H141-N144 PolarHBondContact ND1-ND2 3.19Å; H141-N144 PolarHBondContact ND1-OD1 3.34Å; H141-N144 PolarHBondContact O-N 3.16Å; N144-Q146 PolarHBondContact ND2-NE2 3.07Å; N144-Q146 PolarHBondContact O-N 2.82Å; N144-Q146 VanDerWaalsContact O-N 3.09Å; N144-Q146 VanDerWaalsContact OD1-CG 3.29Å; N144-Q146 WeakPolarHBondContact OD1-CG 3.3Å; N144-Q146 PolarHBondContact OD1-N 3.49Å
145F90.2Very high84.5Confident34 Ų3444.6 Ų44.615%0.14921%0.211CC..  trans55.828.7176.5-143.8-113.7000114.2C83 I85 L91 F94 W96 I140 H141C83-F145 HydrophobicContact CB-CB 4.11Å; C83-F145 HydrophobicContact CB-CD1 4.29Å; C83-F145 VanDerWaalsContact CB-O 3.32Å; C83-F145 WeakPolarHBondContact CB-O 3.47Å; I85-F145 HydrophobicContact CD1-CB 3.54Å; I85-F145 HydrophobicContact CD1-CD1 4.16Å; I85-F145 HydrophobicContact CD1-CG 4.05Å; L91-F145 HydrophobicContact CD2-CB 4.23Å; F94-F145 HydrophobicContact CB-CD1 4.09Å; F94-F145 HydrophobicContact CB-CE1 3.98Å; F94-F145 VanDerWaalsContact O-CE1 3.26Å; F94-F145 WeakPolarHBondContact O-CE1 3.48Å; F94-F145 WeakPolarHBondContact O-CZ 3.39Å; W96-F145 AromaticContact CD1-CD1 3.88Å; W96-F145 AromaticContact CD1-CE1 3.81Å; W96-F145 AromaticContact NE1-CD1 3.82Å; W96-F145 PolarHBondContact NE1-O 3.44Å; I140-F145 HydrophobicContact CD1-CE1 4.34Å; I140-F145 HydrophobicContact CD1-CE2 4.02Å; I140-F145 HydrophobicContact CD1-CZ 3.89Å; I140-F145 HydrophobicContact CG2-CB 4.42Å; I140-F145 HydrophobicContact CG2-CD2 3.52Å; I140-F145 HydrophobicContact CG2-CE2 3.88Å; I140-F145 HydrophobicContact CG2-CG 3.95Å; H141-F145 WeakPolarHBondContact O-CA 3.49Å; H141-F145 PolarHBondContact O-N 3.21Å
146Q91.6Very high85.5Confident11 Ų1141.4 Ų41.45%0.05120%0.199CC..  trans-68.2133.3174.9-73.8174.76.600110.5L81 Y82 I140 H141 N144 I148L81-Q146 CarbonylContact O-C 3.43Å; L81-Q146 VanDerWaalsContact O-CA 3.27Å; L81-Q146 WeakPolarHBondContact O-CA 3.34Å; Y82-Q146 HydrophobicContact CD1-CG 4.07Å; I140-Q146 CarbonylContact C-O 3.58Å; I140-Q146 VanDerWaalsContact CA-O 3.31Å; I140-Q146 WeakPolarHBondContact CA-O 3.39Å; H141-Q146 HydrophobicContact CB-CB 4.19Å; H141-Q146 PolarHBondContact N-O 3.32Å; N144-Q146 PolarHBondContact ND2-NE2 3.07Å; N144-Q146 PolarHBondContact O-N 2.82Å; N144-Q146 VanDerWaalsContact O-N 3.09Å; N144-Q146 VanDerWaalsContact OD1-CG 3.29Å; N144-Q146 WeakPolarHBondContact OD1-CG 3.3Å; N144-Q146 PolarHBondContact OD1-N 3.49Å; Q146-I148 HydrophobicContact CB-CD1 4Å; Q146-I148 HydrophobicContact CB-CG1 4.29Å; Q146-I148 WeakPolarHBondContact O-CD1 3.35Å
147L93.7Very high86.4Confident0 Ų044.5 Ų44.50%021%0.212CC..EExtended strand (participates in β ladder)trans-87.2124.2170.3-178.567.9000109.4L37 F79 L81 W96 I130 L138 I140 Y162L37-L147 HydrophobicContact CD1-CD1 4.01Å; F79-L147 HydrophobicContact CE2-CD2 4.22Å; F79-L147 HydrophobicContact CE2-CG 4.25Å; L81-L147 HydrophobicContact CB-CB 4.38Å; L81-L147 HydrophobicContact CD1-CD2 4.24Å; L81-L147 PolarHBondContact N-O 2.92Å; L81-L147 PolarHBondContact O-N 3.25Å; W96-L147 HydrophobicContact CD2-CB 3.96Å; W96-L147 HydrophobicContact CD2-CD2 4.26Å; W96-L147 HydrophobicContact CE3-CD2 4.39Å; W96-L147 HydrophobicContact CG-CB 4.19Å; W96-L147 HydrophobicContact CG-CD2 4.39Å; W96-L147 HydrophobicContact CZ2-CB 4.04Å; I130-L147 HydrophobicContact CD1-CD1 4.17Å; I130-L147 HydrophobicContact CD1-CD2 3.52Å; L138-L147 HydrophobicContact CD2-CD1 4.29Å; L138-L147 HydrophobicContact CD2-CG 4.49Å; I140-L147 HydrophobicContact CG1-CD1 4.36Å; L147-Y162 HydrophobicContact CD2-CD1 3.62Å; L147-Y162 HydrophobicContact CD2-CE1 3.73Å
148I91.6Very high86.8Confident0 Ų042.2 Ų42.20%020%0.2CC..EExtended strand (participates in β ladder)trans-128.6133.2-173.2-62129.9000110.8C40 F42 I44 F79 L138 C139 H141 Q146 Y150C40-I148 WeakPolarHBondContact SG-CD1 3.47Å; F42-I148 HydrophobicContact CE2-CG2 4.46Å; F42-I148 HydrophobicContact CZ-CG2 4.08Å; I44-I148 HydrophobicContact CD1-CD1 3.13Å; I44-I148 HydrophobicContact CD1-CG1 3.86Å; F79-I148 WeakPolarHBondContact O-CA 3.44Å; L138-I148 WeakPolarHBondContact CA-O 3.49Å; C139-I148 PolarHBondContact N-O 2.84Å; C139-I148 PolarHBondContact O-N 3.47Å; H141-I148 HydrophobicContact CB-CD1 3.64Å; Q146-I148 HydrophobicContact CB-CD1 4Å; Q146-I148 HydrophobicContact CB-CG1 4.29Å; Q146-I148 WeakPolarHBondContact O-CD1 3.35Å; I148-Y150 HydrophobicContact CG2-CD1 4.44Å
149G90.1Very high86.9Confident0 Ų042.3 Ų42.30%020%0.2CC..EExtended strand (participates in β ladder)trans-109.4107.3164.400000112.1K78 F79K78-G149 WeakPolarHBondContact CA-O 3.49Å; K78-G149 WeakPolarHBondContact CB-O 3.49Å; F79-G149 PolarHBondContact N-O 3.43Å; F79-G149 VanDerWaalsContact N-O 3.16Å; F79-G149 PolarHBondContact O-N 3.42Å
150Y82.9Confident87.2Confident52 Ų5242.2 Ų42.220%0.20420%0.2CC..EExtended strand (participates in β ladder)trans-109.6-30.2-166.562.6-79.9000115F42 K78 N137 C139 I148F42-Y150 AromaticContact CE1-CD1 3.88Å; F42-Y150 HydrophobicContact CE1-CD1 3.88Å; F42-Y150 AromaticContact CE1-CD2 3.76Å; F42-Y150 HydrophobicContact CE1-CD2 3.76Å; F42-Y150 HydrophobicContact CE1-CE1 4.14Å; F42-Y150 AromaticContact CE1-CE2 3.98Å; F42-Y150 HydrophobicContact CE1-CE2 3.98Å; F42-Y150 AromaticContact CE1-CG 3.71Å; F42-Y150 HydrophobicContact CE1-CG 3.71Å; F42-Y150 AromaticContact CZ-CD1 3.94Å; F42-Y150 HydrophobicContact CZ-CD1 3.94Å; F42-Y150 HydrophobicContact CZ-CD2 4.27Å; F42-Y150 AromaticContact CZ-CG 3.79Å; F42-Y150 HydrophobicContact CZ-CG 3.79Å; K78-Y150 WeakPolarHBondContact CD-O 3.42Å; K78-Y150 WeakPolarHBondContact CE-O 3.36Å; K78-Y150 PolarHBondContact NZ-O 2.97Å; N137-Y150 WeakPolarHBondContact O-CD1 3.31Å; N137-Y150 WeakPolarHBondContact O-CE1 3.5Å; N137-Y150 PolarHBondContact O-N 2.95Å; C139-Y150 HydrophobicContact CB-CE1 4.18Å; C139-Y150 VanDerWaalsContact SG-CE1 3.55Å; I148-Y150 HydrophobicContact CG2-CD1 4.44Å
151H76.9Confident87.5Confident106 Ų10641.7 Ų41.749%0.49120%0.197SC..EExtended strand (participates in β ladder)trans-114.686.7177.3-75.7-53.5000111.4N137 I153N137-H151 HydrophobicContact CB-CB 3.83Å; N137-H151 VanDerWaalsContact CB-O 3.25Å; N137-H151 WeakPolarHBondContact CB-O 3.29Å; N137-H151 VanDerWaalsContact CG-CB 3.49Å; N137-H151 VanDerWaalsContact CG-O 3.26Å; N137-H151 PolarHBondContact ND2-O 3.46Å; H151-I153 PolarHBondContact O-N 3.4Å; H151-I153 VanDerWaalsContact O-N 3.15Å
152N76.2Confident87.9Confident90 Ų9041.4 Ų41.448%0.48120%0.196SC..EExtended strand (participates in β ladder)trans47.756.5159.6-69.8-3.7000113.1N76 K78N76-N152 HydrophobicContact CB-CB 3.64Å; N76-N152 PolarHBondContact OD1-O 3.34Å; K78-N152 WeakPolarHBondContact CE-OD1 3.49Å
153I84.6Confident88.5Confident5 Ų534.3 Ų34.33%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-65.5136.6-177.9-69.9-169.9000109.4N76 I77 F79 N137 L138 H151 A155 Y158N76-I153 CarbonylContact C-O 3.54Å; N76-I153 VanDerWaalsContact CA-O 3.29Å; N76-I153 WeakPolarHBondContact CA-O 3.15Å; I77-I153 HydrophobicContact CG1-CB 4.36Å; I77-I153 PolarHBondContact N-O 3.49Å; I77-I153 PolarHBondContact O-N 3.26Å; F79-I153 HydrophobicContact CE1-CD1 4.07Å; F79-I153 HydrophobicContact CZ-CD1 4.42Å; N137-I153 HydrophobicContact CB-CG1 3.99Å; L138-I153 HydrophobicContact CD2-CD1 3.29Å; L138-I153 HydrophobicContact CG-CD1 3.59Å; H151-I153 PolarHBondContact O-N 3.4Å; H151-I153 VanDerWaalsContact O-N 3.15Å; I153-A155 PolarHBondContact O-N 3.24Å; I153-Y158 HydrophobicContact CG2-CD2 3.07Å; I153-Y158 HydrophobicContact CG2-CE2 3.82Å; I153-Y158 HydrophobicContact CG2-CG 3.62Å
154N86.9Confident89.2Confident66 Ų6628.2 Ų28.235%0.35314%0.138SC..EExtended strand (participates in β ladder)trans-59.3108.3172.1-177.6-3.9000110.6N156 Q157 Y158N154-N156 PolarHBondContact O-N 3.48Å; N154-N156 WeakPolarHBondContact OD1-CB 3.29Å; N154-N156 PolarHBondContact OD1-N 3.29Å; N154-Q157 PolarHBondContact O-N 2.91Å; N154-Y158 WeakPolarHBondContact O-CD2 3.23Å; N154-Y158 PolarHBondContact O-N 2.92Å
155A87.8Confident89.7Confident0 Ų029.1 Ų29.10%014%0.139CC..Hα-helixtrans-56.8-35.4179.800000112.4D74 I75 I77 I153 Q157 Y158 M159D74-A155 WeakPolarHBondContact O-CB 3.36Å; I75-A155 WeakPolarHBondContact O-CB 3.4Å; I75-A155 PolarHBondContact O-N 2.86Å; I77-A155 HydrophobicContact CD1-CB 4.4Å; I77-A155 HydrophobicContact CG1-CB 4.16Å; I77-A155 HydrophobicContact CG2-CB 4.02Å; I153-A155 PolarHBondContact O-N 3.24Å; A155-Q157 PolarHBondContact O-N 2.84Å; A155-Y158 PolarHBondContact O-N 2.88Å; A155-M159 HydrophobicContact CB-CE 3.81Å; A155-M159 HydrophobicContact CB-CG 4.38Å; A155-M159 WeakPolarHBondContact O-CB 3.49Å; A155-M159 WeakPolarHBondContact O-CG 3.28Å; A155-M159 PolarHBondContact O-N 3.34Å; A155-M159 VanDerWaalsContact O-N 3.08Å
156N86.2Confident90Very high93 Ų9328.2 Ų28.250%0.49714%0.136SC..Hα-helixtrans-65.5-26.4-176-66.5-32.2000113.2N154 R183N154-N156 PolarHBondContact O-N 3.48Å; N154-N156 WeakPolarHBondContact OD1-CB 3.29Å; N154-N156 PolarHBondContact OD1-N 3.29Å; N156-R183 PolarHBondContact OD1-NH1 2.85Å; N156-R183 PolarHBondContact OD1-NH2 2.91Å
157Q86.7Confident90Very high84 Ų8432.3 Ų32.339%0.39316%0.158SC..Hα-helixtrans-90.7-32.3-178.6-174.6175.8-0.600112.4N154 A155N154-Q157 PolarHBondContact O-N 2.91Å; A155-Q157 PolarHBondContact O-N 2.84Å
158Y89.9Confident90.1Very high10 Ų1039 Ų394%0.03919%0.193CC..Hα-helixtrans-117.513.1-168.3-61.9-73.8000114.9N136 L138 I153 N154 A155 Y162N136-Y158 PolarHBondContact ND2-OH 3.12Å; N136-Y158 PolarHBondContact OD1-OH 3.31Å; L138-Y158 HydrophobicContact CD1-CD1 3.45Å; L138-Y158 VanDerWaalsContact CD1-CD1 3.45Å; L138-Y158 HydrophobicContact CD1-CE1 3.17Å; L138-Y158 HydrophobicContact CD1-CG 4.23Å; L138-Y158 HydrophobicContact CG-CE1 4.34Å; I153-Y158 HydrophobicContact CG2-CD2 3.07Å; I153-Y158 HydrophobicContact CG2-CE2 3.82Å; I153-Y158 HydrophobicContact CG2-CG 3.62Å; N154-Y158 WeakPolarHBondContact O-CD2 3.23Å; N154-Y158 PolarHBondContact O-N 2.92Å; A155-Y158 PolarHBondContact O-N 2.88Å; Y158-Y162 WeakPolarHBondContact O-CE2 3.31Å; Y158-Y162 PolarHBondContact O-OH 3.12Å
159M92.2Very high90.2Very high2 Ų242.1 Ų42.11%0.0121%0.21CC..  trans-76.7143.8164.6-73.4-70.517100109.8F70 I77 H101 A155 L181 R183F70-M159 HydrophobicContact CB-CE 3.82Å; F70-M159 HydrophobicContact CD1-CE 4.47Å; F70-M159 HydrophobicContact CD2-CE 3.51Å; F70-M159 HydrophobicContact CD2-SD 3.97Å; F70-M159 HydrophobicContact CE2-CE 4.16Å; F70-M159 HydrophobicContact CE2-SD 4.45Å; F70-M159 HydrophobicContact CG-CE 3.68Å; I77-M159 HydrophobicContact CD1-CE 3.39Å; I77-M159 HydrophobicContact CD1-SD 4.24Å; I77-M159 HydrophobicContact CG1-CE 4.26Å; I77-M159 HydrophobicContact CG2-CE 3.81Å; H101-M159 HydrophobicContact CB-CB 3.87Å; H101-M159 VanDerWaalsContact CB-O 3.29Å; H101-M159 WeakPolarHBondContact CB-O 3.39Å; H101-M159 PolarHBondContact N-O 2.92Å; A155-M159 HydrophobicContact CB-CE 3.81Å; A155-M159 HydrophobicContact CB-CG 4.38Å; A155-M159 WeakPolarHBondContact O-CB 3.49Å; A155-M159 WeakPolarHBondContact O-CG 3.28Å; A155-M159 PolarHBondContact O-N 3.34Å; A155-M159 VanDerWaalsContact O-N 3.08Å; M159-L181 HydrophobicContact SD-CB 4.06Å; M159-R183 HydrophobicContact CE-CG 3.63Å; M159-R183 HydrophobicContact CG-CG 4.37Å; M159-R183 HydrophobicContact SD-CG 4.06Å
160G94.2Very high90.2Very high0 Ų045.8 Ų45.80%024%0.235CC..EExtended strand (participates in β ladder)trans155.3-168.1-176.800000114I99 L181I99-G160 CarbonylContact O-C 3.57Å; I99-G160 WeakPolarHBondContact O-CA 3.27Å; G160-L181 PolarHBondContact N-O 3.41Å; G160-L181 PolarHBondContact O-N 3Å
161T96Very high90.7Very high0 Ų047.3 Ų47.30%025%0.245CC..EExtended strand (participates in β ladder)trans-108.5115.9176.9-64.70000110.1Y98 I99 I107 L122 W178 Y179 H180 Y182Y98-T161 CarbonylContact C-O 3.57Å; Y98-T161 WeakPolarHBondContact CA-O 3.38Å; Y98-T161 WeakPolarHBondContact CB-O 3.4Å; I99-T161 PolarHBondContact N-O 3.16Å; I99-T161 PolarHBondContact O-N 3.26Å; I107-T161 HydrophobicContact CD1-CG2 4.39Å; I107-T161 WeakPolarHBondContact CD1-OG1 3.48Å; L122-T161 HydrophobicContact CD1-CG2 4.21Å; L122-T161 HydrophobicContact CD2-CG2 4.17Å; T161-W178 HydrophobicContact CG2-CB 4.1Å; T161-Y179 CarbonylContact C-O 3.42Å; T161-Y179 WeakPolarHBondContact CA-O 3.47Å; T161-H180 VanDerWaalsContact CG2-CE1 3.41Å; T161-H180 WeakPolarHBondContact CG2-CE1 3.43Å; T161-H180 VanDerWaalsContact CG2-ND1 3.32Å; T161-H180 WeakPolarHBondContact CG2-ND1 3.32Å; T161-H180 PolarHBondContact OG1-ND1 2.89Å; T161-Y182 WeakPolarHBondContact OG1-CE2 3.21Å; T161-Y182 PolarHBondContact OG1-OH 2.86Å
162Y97.2Very high91.6Very high0 Ų042.7 Ų42.70%022%0.224CC..EExtended strand (participates in β ladder)trans-100.2146.4-178.3-69.6-100.2000111.5L81 Y98 I130 L147 Y158 W178 Y179 L181L81-Y162 HydrophobicContact CD1-CD1 4.11Å; L81-Y162 HydrophobicContact CD1-CD2 4.01Å; L81-Y162 HydrophobicContact CD1-CG 3.65Å; Y98-Y162 VanDerWaalsContact CB-CD1 3.46Å; Y98-Y162 HydrophobicContact CD1-CE1 4.49Å; Y98-Y162 AromaticContact CD2-CE1 3.96Å; Y98-Y162 HydrophobicContact CD2-CE1 3.96Å; Y98-Y162 HydrophobicContact CD2-CE2 4.18Å; Y98-Y162 AromaticContact CD2-CZ 3.7Å; Y98-Y162 HydrophobicContact CG-CD1 4.17Å; Y98-Y162 AromaticContact CG-CE1 3.77Å; Y98-Y162 HydrophobicContact CG-CE1 3.77Å; I130-Y162 HydrophobicContact CD1-CD1 4.03Å; I130-Y162 HydrophobicContact CD1-CE1 3.79Å; I130-Y162 HydrophobicContact CG1-CE1 4.4Å; L147-Y162 HydrophobicContact CD2-CD1 3.62Å; L147-Y162 HydrophobicContact CD2-CE1 3.73Å; Y158-Y162 WeakPolarHBondContact O-CE2 3.31Å; Y158-Y162 PolarHBondContact O-OH 3.12Å; Y162-W178 WeakPolarHBondContact O-CA 3.44Å; Y162-Y179 PolarHBondContact N-O 3.06Å; Y162-Y179 PolarHBondContact O-N 2.75Å; Y162-L181 HydrophobicContact CD2-CD1 4.04Å; Y162-L181 HydrophobicContact CD2-CD2 4.28Å; Y162-L181 HydrophobicContact CE2-CD2 4Å
163V97.1Very high92.5Very high2 Ų239 Ų391%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-142.9135.5175.456.40000109.9Q97 L122 L127 R165Q97-V163 HydrophobicContact CB-CG1 4.39Å; Q97-V163 PolarHBondContact N-O 3.25Å; Q97-V163 PolarHBondContact O-N 3.08Å; Q97-V163 VanDerWaalsContact O-O 3.13Å; L122-V163 HydrophobicContact CD1-CB 4.39Å; L122-V163 HydrophobicContact CD1-CG1 4.36Å; L127-V163 HydrophobicContact CD1-CG1 4.48Å; L127-V163 HydrophobicContact CD2-CG1 3.66Å; V163-R165 HydrophobicContact CB-CG 4.45Å; V163-R165 HydrophobicContact CG1-CG 3.87Å; V163-R165 HydrophobicContact CG2-CG 3.88Å
164C96.4Very high93Very high2 Ų238.8 Ų38.81%0.01420%0.204CC..EExtended strand (participates in β ladder)trans-94.9101.5171.9-166.40000108.9C83 W96 S174C83-C164 HydrophobicContact CB-CB 3.77Å; C83-C164 WeakPolarHBondContact CB-SG 3.43Å; C83-C164 WeakPolarHBondContact SG-CB 2.96Å; C83-C164 CovalentContact SG-SG 2.02Å; C83-C164 PolarHBondContact SG-SG 2.96Å; W96-C164 HydrophobicContact CD2-CB 3.92Å; W96-C164 HydrophobicContact CE3-CB 3.9Å; W96-C164 HydrophobicContact CH2-CB 3.78Å; W96-C164 HydrophobicContact CZ2-CB 3.79Å; W96-C164 HydrophobicContact CZ3-CB 3.83Å; C164-S174 CarbonylContact O-C 3.59Å; C164-S174 VanDerWaalsContact O-CB 3.27Å; C164-S174 WeakPolarHBondContact O-CB 3.33Å; C164-S174 PolarHBondContact O-OG 3.24Å
165R95.4Very high93.4Very high54 Ų5436.4 Ų36.420%0.20419%0.191CC..EExtended strand (participates in β ladder)trans-90.8138.9-171.4-65.5-175.569.2-166.4-3.2111.5F94 E95 V163 N175F94-R165 CarbonylContact C-O 3.42Å; F94-R165 WeakPolarHBondContact CA-O 3.5Å; E95-R165 PolarHBondContact N-O 2.71Å; E95-R165 PolarHBondContact O-N 2.93Å; V163-R165 HydrophobicContact CB-CG 4.45Å; V163-R165 HydrophobicContact CG1-CG 3.87Å; V163-R165 HydrophobicContact CG2-CG 3.88Å; R165-N175 WeakPolarHBondContact CA-OD1 2.97Å
166N95.6Very high93.8Very high15 Ų1536.7 Ų36.78%0.0819%0.192CC..EExtended strand (participates in β ladder)trans-84.1123161.1-172.2-39.8000108.2T93 F94 L168 D169 H172 N175T93-N166 CarbonylContact O-C 3.5Å; T93-N166 WeakPolarHBondContact O-CA 3.43Å; F94-N166 HydrophobicContact CD1-CB 4.2Å; F94-N166 HydrophobicContact CE1-CB 3.88Å; F94-N166 HydrophobicContact CZ-CB 4.32Å; N166-L168 PolarHBondContact OD1-N 3.04Å; N166-D169 PolarHBondContact OD1-N 3.3Å; N166-D169 VanDerWaalsContact OD1-N 3.14Å; N166-H172 HydrophobicContact CB-CB 3.6Å; N166-N175 PolarHBondContact N-OD1 2.01Å
167L93.3Very high94.3Very high97 Ų9732.3 Ų32.351%0.50817%0.168SC..SBendtrans-78-26.1-176.8-61.3178.7000112.8T93 E95T93-L167 PolarHBondContact O-N 3.12Å; E95-L167 HydrophobicContact CB-CD1 4.15Å; E95-L167 HydrophobicContact CB-CD2 4.03Å; E95-L167 HydrophobicContact CB-CG 4.21Å
168L94.1Very high94.8Very high140 Ų14028.3 Ų28.373%0.73315%0.15SC*.SBendtrans-86.8-31.3-178.1-60.3-174.9000112.6T93 N166T93-L168 HydrophobicContact CG2-CD1 3.43Å; T93-L168 VanDerWaalsContact CG2-CD1 3.43Å; T93-L168 HydrophobicContact CG2-CG 3.97Å; N166-L168 PolarHBondContact OD1-N 3.04Å
169D93.9Very high95.2Very high67 Ų6728.9 Ų28.936%0.35815%0.152SC..  trans-125104.8-178.9177.416.1000111.3N166 M171 H172 N175N166-D169 PolarHBondContact OD1-N 3.3Å; N166-D169 VanDerWaalsContact OD1-N 3.14Å; D169-M171 PolarHBondContact O-N 3.11Å; D169-M171 WeakPolarHBondContact OD1-CA 3.26Å; D169-M171 PolarHBondContact OD1-N 3.2Å; D169-H172 HydrophobicContact CB-CB 3.99Å; D169-H172 VanDerWaalsContact CG-N 3.35Å; D169-H172 WeakPolarHBondContact O-CB 3.26Å; D169-H172 PolarHBondContact O-N 3.17Å; D169-H172 VanDerWaalsContact O-N 3.14Å; D169-H172 PolarHBondContact OD1-N 2.69Å; D169-H172 WeakPolarHBondContact OD2-CA 3.3Å; D169-H172 PolarHBondContact OD2-N 2.96Å; D169-N175 PolarHBondContact O-ND2 3Å
170S91.6Very high95.4Very high76 Ų7628.8 Ų28.853%0.53115%0.152SC..THydrogen-bonded Turntrans-63.6-23.9176.267.60000113.6N175S170-N175 WeakPolarHBondContact CA-ND2 3.28Å; S170-N175 PolarHBondContact O-ND2 3.01Å
171M92.9Very high95.5Very high84 Ų8428.8 Ų28.841%0.41415%0.152SC..THydrogen-bonded Turntrans-954.5179-62.3-64.4158.400112.3L115 Y116 D169 F176L115-M171 HydrophobicContact CD1-SD 3.44Å; L115-M171 WeakPolarHBondContact CD1-SD 3.49Å; L115-M171 HydrophobicContact CD2-SD 4.24Å; Y116-M171 PolarHBondContact OH-O 3.01Å; D169-M171 PolarHBondContact O-N 3.11Å; D169-M171 WeakPolarHBondContact OD1-CA 3.26Å; D169-M171 PolarHBondContact OD1-N 3.2Å; M171-F176 HydrophobicContact SD-CZ 4.43Å
172H95Very high95.4Very high10 Ų1028.8 Ų28.85%0.04615%0.152CC..  trans-59.6136.5-179.7-169.7-99.3000111.3R57 E89 F94 N166 D169 S174 N175 F176R57-H172 VanDerWaalsContact CZ-CE1 3.48Å; R57-H172 PolarHBondContact NH1-CE1 2.89Å; R57-H172 PolarHBondContact NH1-NE2 2.73Å; R57-H172 PolarHBondContact NH2-NE2 3.08Å; E89-H172 IonicContact OE1-CE1 2.75Å; E89-H172 IonicContact OE1-NE2 3.22Å; E89-H172 PolarHBondContact OE1-NE2 3.41Å; E89-H172 VanDerWaalsContact OE1-NE2 3.16Å; F94-H172 AromaticContact CE1-CE1 3.69Å; F94-H172 AromaticContact CE1-ND1 3.89Å; F94-H172 AromaticContact CZ-CE1 3.7Å; N166-H172 HydrophobicContact CB-CB 3.6Å; D169-H172 HydrophobicContact CB-CB 3.99Å; D169-H172 VanDerWaalsContact CG-N 3.35Å; D169-H172 WeakPolarHBondContact O-CB 3.26Å; D169-H172 PolarHBondContact O-N 3.17Å; D169-H172 VanDerWaalsContact O-N 3.14Å; D169-H172 PolarHBondContact OD1-N 2.69Å; D169-H172 WeakPolarHBondContact OD2-CA 3.3Å; D169-H172 PolarHBondContact OD2-N 2.96Å; H172-S174 VanDerWaalsContact ND1-CB 3.34Å; H172-S174 WeakPolarHBondContact ND1-CB 3.48Å; H172-S174 PolarHBondContact ND1-N 2.92Å; H172-S174 PolarHBondContact ND1-OG 2.92Å; H172-S174 PolarHBondContact O-N 2.97Å; H172-N175 WeakPolarHBondContact O-CB 3.37Å; H172-N175 PolarHBondContact O-N 2.8Å; H172-F176 WeakPolarHBondContact O-CD2 3.48Å
173P95.5Very high95.2Very high13 Ų1330 Ų308%0.08416%0.156CC..G310 helixtrans-52.8-30.3-178.7-28.532.2000115.2R57 I58 A61 Y116 N175 F176R57-P173 HydrophobicContact CG-CB 3.68Å; I58-P173 HydrophobicContact CG1-CG 4.46Å; A61-P173 HydrophobicContact CB-CB 3.93Å; A61-P173 WeakPolarHBondContact CB-O 3.47Å; Y116-P173 HydrophobicContact CE1-CB 4.43Å; Y116-P173 HydrophobicContact CE1-CG 3.97Å; Y116-P173 HydrophobicContact CE2-CB 4.45Å; Y116-P173 HydrophobicContact CE2-CG 4.45Å; Y116-P173 VanDerWaalsContact OH-CD 3.29Å; Y116-P173 WeakPolarHBondContact OH-CD 3.35Å; Y116-P173 VanDerWaalsContact OH-CG 3.32Å; Y116-P173 WeakPolarHBondContact OH-CG 3.33Å; P173-N175 VanDerWaalsContact C-N 3.27Å; P173-N175 PolarHBondContact O-N 3.04Å; P173-F176 PolarHBondContact O-N 2.65Å; P173-F176 VanDerWaalsContact O-N 3.16Å
174S95.3Very high94.9Very high0 Ų029.9 Ų29.90%016%0.155CC..G310 helixtrans-63.8-31.5179.471.50000113F94 C164 H172 F176 I177F94-S174 WeakPolarHBondContact CE1-OG 3.43Å; C164-S174 CarbonylContact O-C 3.59Å; C164-S174 VanDerWaalsContact O-CB 3.27Å; C164-S174 WeakPolarHBondContact O-CB 3.33Å; C164-S174 PolarHBondContact O-OG 3.24Å; H172-S174 VanDerWaalsContact ND1-CB 3.34Å; H172-S174 WeakPolarHBondContact ND1-CB 3.48Å; H172-S174 PolarHBondContact ND1-N 2.92Å; H172-S174 PolarHBondContact ND1-OG 2.92Å; H172-S174 PolarHBondContact O-N 2.97Å; S174-F176 PolarHBondContact O-N 3.09Å; S174-F176 VanDerWaalsContact O-N 3.07Å; S174-I177 PolarHBondContact O-N 2.81Å; S174-I177 VanDerWaalsContact O-N 3.09Å
175N95.8Very high94.4Very high15 Ų1531.6 Ų31.68%0.0816%0.163CC..G310 helixtrans-64.3-15.4178.2-60.5-11000112.1R165 N166 D169 S170 H172 P173 W178R165-N175 WeakPolarHBondContact CA-OD1 2.97Å; N166-N175 PolarHBondContact N-OD1 2.01Å; D169-N175 PolarHBondContact O-ND2 3Å; S170-N175 WeakPolarHBondContact CA-ND2 3.28Å; S170-N175 PolarHBondContact O-ND2 3.01Å; H172-N175 WeakPolarHBondContact O-CB 3.37Å; H172-N175 PolarHBondContact O-N 2.8Å; P173-N175 VanDerWaalsContact C-N 3.27Å; P173-N175 PolarHBondContact O-N 3.04Å; N175-W178 PolarHBondContact O-NE1 3.23Å
176F95.9Very high93.8Very high6 Ų629.8 Ų29.83%0.02616%0.159CC..G310 helixtrans-109.411.4-177.8-56.8-68000112.5A61 R64 L115 Y116 M121 M171 H172 P173 S174 W178A61-F176 HydrophobicContact CB-CB 4.26Å; R64-F176 WeakPolarHBondContact CA-O 2.94Å; R64-F176 WeakPolarHBondContact CD-O 3.06Å; L115-F176 HydrophobicContact CD1-CE1 3.91Å; L115-F176 HydrophobicContact CD1-CE2 4.05Å; L115-F176 HydrophobicContact CD1-CZ 3.35Å; Y116-F176 HydrophobicContact CD2-CB 4.41Å; Y116-F176 AromaticContact CD2-CD2 3.75Å; Y116-F176 HydrophobicContact CD2-CD2 3.75Å; Y116-F176 HydrophobicContact CD2-CE2 4.31Å; Y116-F176 HydrophobicContact CD2-CG 4.21Å; Y116-F176 AromaticContact CE2-CD2 3.43Å; Y116-F176 HydrophobicContact CE2-CD2 3.43Å; Y116-F176 VanDerWaalsContact CE2-CD2 3.43Å; Y116-F176 AromaticContact CE2-CE2 3.75Å; Y116-F176 HydrophobicContact CE2-CE2 3.75Å; Y116-F176 HydrophobicContact CE2-CG 4.32Å; M121-F176 HydrophobicContact CE-CE1 3.99Å; M121-F176 HydrophobicContact CE-CZ 4.35Å; M171-F176 HydrophobicContact SD-CZ 4.43Å; H172-F176 WeakPolarHBondContact O-CD2 3.48Å; P173-F176 PolarHBondContact O-N 2.65Å; P173-F176 VanDerWaalsContact O-N 3.16Å; S174-F176 PolarHBondContact O-N 3.09Å; S174-F176 VanDerWaalsContact O-N 3.07Å; F176-W178 HydrophobicContact CD1-CZ2 4.47Å
177I96.7Very high93.1Very high1 Ų130.1 Ų30.11%0.00516%0.159CC..  trans-108.8111.8173.1-63.4167.1000108R57 N60 A61 Q66 P84 S174 Y179R57-I177 HydrophobicContact CG-CD1 4.02Å; N60-I177 HydrophobicContact CB-CD1 3.69Å; N60-I177 HydrophobicContact CB-CG1 4.01Å; A61-I177 HydrophobicContact CB-CD1 4.34Å; A61-I177 HydrophobicContact CB-CG1 4.07Å; Q66-I177 HydrophobicContact CG-CG2 4.17Å; P84-I177 HydrophobicContact CB-CD1 4.08Å; P84-I177 HydrophobicContact CG-CD1 3.62Å; S174-I177 PolarHBondContact O-N 2.81Å; S174-I177 VanDerWaalsContact O-N 3.09Å; I177-Y179 HydrophobicContact CG2-CE2 3.85Å
178W97Very high92.4Very high1 Ų129.5 Ų29.50%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-116.9126.7-170.1-48.4-31.3000110.6R64 H65 Q66 F108 L120 L122 T161 Y162 N175 F176R64-W178 HydrophobicContact CB-CE3 4.08Å; R64-W178 HydrophobicContact CB-CZ3 4.12Å; R64-W178 PolarHBondContact O-N 3.36Å; H65-W178 AromaticContact CE1-CE3 3.55Å; H65-W178 AromaticContact CE1-CZ3 3.51Å; H65-W178 AromaticContact ND1-CE3 3.74Å; Q66-W178 WeakPolarHBondContact CB-O 3.28Å; Q66-W178 PolarHBondContact N-O 3.46Å; F108-W178 HydrophobicContact CD1-CE3 4.28Å; F108-W178 HydrophobicContact CD1-CH2 4.25Å; F108-W178 AromaticContact CD1-CZ3 3.68Å; F108-W178 HydrophobicContact CD1-CZ3 3.68Å; F108-W178 AromaticContact CE1-CE3 3.6Å; F108-W178 HydrophobicContact CE1-CE3 3.6Å; F108-W178 HydrophobicContact CE1-CH2 4.38Å; F108-W178 AromaticContact CE1-CZ3 3.44Å; F108-W178 HydrophobicContact CE1-CZ3 3.44Å; F108-W178 VanDerWaalsContact CE1-CZ3 3.44Å; L120-W178 HydrophobicContact CB-CH2 4.49Å; L120-W178 HydrophobicContact CD2-CH2 4.44Å; L120-W178 HydrophobicContact CD2-CZ3 4.03Å; L120-W178 HydrophobicContact CG-CH2 4.24Å; L120-W178 HydrophobicContact CG-CZ3 4.31Å; L122-W178 HydrophobicContact CB-CZ2 4.36Å; L122-W178 HydrophobicContact CD1-CB 4.44Å; L122-W178 HydrophobicContact CD1-CD2 3.84Å; L122-W178 HydrophobicContact CD1-CG 3.66Å; L122-W178 HydrophobicContact CD1-CZ2 4.49Å; L122-W178 HydrophobicContact CD2-CD2 4.27Å; L122-W178 HydrophobicContact CD2-CE3 4.34Å; L122-W178 HydrophobicContact CG-CD2 3.73Å; L122-W178 HydrophobicContact CG-CE3 4.2Å; L122-W178 HydrophobicContact CG-CG 4.12Å; L122-W178 HydrophobicContact CG-CH2 4.25Å; L122-W178 HydrophobicContact CG-CZ2 3.81Å; L122-W178 HydrophobicContact CG-CZ3 4.43Å; T161-W178 HydrophobicContact CG2-CB 4.1Å; Y162-W178 WeakPolarHBondContact O-CA 3.44Å; N175-W178 PolarHBondContact O-NE1 3.23Å; F176-W178 HydrophobicContact CD1-CZ2 4.47Å
179Y97.9Very high91.5Very high22 Ų2228 Ų289%0.08614%0.142CC..EExtended strand (participates in β ladder)trans-101.2115.4178.2-65.6-86.1000109.9Q66 L68 L81 Y82 W96 T161 Y162 I177Q66-Y179 HydrophobicContact CB-CD1 3.52Å; Q66-Y179 HydrophobicContact CB-CE1 3.73Å; Q66-Y179 HydrophobicContact CB-CG 4.23Å; Q66-Y179 HydrophobicContact CG-CD1 4.14Å; Q66-Y179 HydrophobicContact CG-CE1 3.89Å; Q66-Y179 CarbonylContact O-C 3.51Å; Q66-Y179 VanDerWaalsContact O-CA 3.31Å; Q66-Y179 WeakPolarHBondContact O-CA 3.44Å; L68-Y179 HydrophobicContact CD1-CD1 4.33Å; L81-Y179 HydrophobicContact CB-CD1 4.49Å; L81-Y179 HydrophobicContact CB-CD2 4.38Å; L81-Y179 HydrophobicContact CB-CG 4.3Å; L81-Y179 HydrophobicContact CD1-CG 4.36Å; L81-Y179 HydrophobicContact CD2-CD1 4.07Å; L81-Y179 HydrophobicContact CD2-CG 4.16Å; L81-Y179 HydrophobicContact CG-CG 4.49Å; Y82-Y179 WeakPolarHBondContact O-CE2 3.05Å; Y82-Y179 PolarHBondContact O-OH 2.62Å; W96-Y179 AromaticContact CH2-CD2 3.97Å; W96-Y179 HydrophobicContact CH2-CD2 3.97Å; W96-Y179 AromaticContact CH2-CE2 3.96Å; W96-Y179 HydrophobicContact CH2-CE2 3.96Å; W96-Y179 HydrophobicContact CZ3-CD2 4.07Å; W96-Y179 HydrophobicContact CZ3-CE2 4.45Å; T161-Y179 CarbonylContact C-O 3.42Å; T161-Y179 WeakPolarHBondContact CA-O 3.47Å; Y162-Y179 PolarHBondContact N-O 3.06Å; Y162-Y179 PolarHBondContact O-N 2.75Å; I177-Y179 HydrophobicContact CG2-CE2 3.85Å
180H96.8Very high90.3Very high0 Ų027.7 Ų27.70%014%0.14CC..EExtended strand (participates in β ladder)trans-102.3109.3-176.6-58.3-66.8000109.9H65 Q66 F67 L68 F108 T161 Y182 F360H65-H180 AromaticContact CG-NE2 3.65Å; H65-H180 AromaticContact ND1-CD2 3.83Å; H65-H180 AromaticContact ND1-CE1 3.79Å; H65-H180 AromaticContact ND1-NE2 2.9Å; H65-H180 PolarHBondContact ND1-NE2 2.93Å; Q66-H180 PolarHBondContact O-N 2.9Å; F67-H180 HydrophobicContact CD1-CB 3.47Å; F67-H180 VanDerWaalsContact CD1-CB 3.47Å; F67-H180 AromaticContact CD1-CD2 3.89Å; F67-H180 AromaticContact CD1-CG 3.97Å; F67-H180 HydrophobicContact CE1-CB 3.66Å; F67-H180 AromaticContact CE1-CD2 3.49Å; F67-H180 VanDerWaalsContact CE1-CD2 3.49Å; F67-H180 WeakPolarHBondContact CE1-CD2 2.91Å; F67-H180 AromaticContact CE1-CG 3.69Å; F67-H180 HydrophobicContact CG-CB 4.3Å; F67-H180 AromaticContact CZ-CD2 3.65Å; L68-H180 PolarHBondContact N-O 2.83Å; F108-H180 AromaticContact CZ-CE1 3.78Å; T161-H180 VanDerWaalsContact CG2-CE1 3.41Å; T161-H180 WeakPolarHBondContact CG2-CE1 3.43Å; T161-H180 VanDerWaalsContact CG2-ND1 3.32Å; T161-H180 WeakPolarHBondContact CG2-ND1 3.32Å; T161-H180 PolarHBondContact OG1-ND1 2.89Å; H180-Y182 HydrophobicContact CB-CD2 3.8Å; H180-Y182 HydrophobicContact CB-CE2 3.8Å; H180-F360 AromaticContact CE1-CE2 3.97Å; H180-F360 AromaticContact ND1-CE2 3.56Å
181L95.9Very high89.9Confident0 Ų024.8 Ų24.80%012%0.12CC..EExtended strand (participates in β ladder)trans-106104.3178-75.762.1000107.7L68 F70 F79 L81 M159 G160 Y162L68-L181 HydrophobicContact CB-CD1 4.34Å; L68-L181 HydrophobicContact CB-CG 4.19Å; L68-L181 HydrophobicContact CD1-CD1 4.27Å; F70-L181 HydrophobicContact CE2-CB 4.11Å; F70-L181 HydrophobicContact CE2-CG 4.05Å; F79-L181 HydrophobicContact CB-CD2 4.12Å; F79-L181 HydrophobicContact CD1-CD2 3.57Å; F79-L181 HydrophobicContact CD2-CD2 3.87Å; F79-L181 HydrophobicContact CE1-CD2 3.77Å; F79-L181 HydrophobicContact CE2-CD2 4.05Å; F79-L181 HydrophobicContact CG-CD2 3.6Å; F79-L181 HydrophobicContact CZ-CD2 3.98Å; L81-L181 HydrophobicContact CD1-CD1 4.11Å; L81-L181 HydrophobicContact CD2-CD1 3.88Å; M159-L181 HydrophobicContact SD-CB 4.06Å; G160-L181 PolarHBondContact N-O 3.41Å; G160-L181 PolarHBondContact O-N 3Å; Y162-L181 HydrophobicContact CD2-CD1 4.04Å; Y162-L181 HydrophobicContact CD2-CD2 4.28Å; Y162-L181 HydrophobicContact CE2-CD2 4Å
182Y94.4Very high89.3Confident0 Ų025.6 Ų25.60%012%0.121CC..EExtended strand (participates in β ladder)trans-142.9152.9-174.9-70.4-83.2000112L68 F70 H101 T161 H180 E359 F360 H363L68-Y182 PolarHBondContact O-N 3.27Å; F70-Y182 PolarHBondContact N-O 3.38Å; F70-Y182 VanDerWaalsContact N-O 3.11Å; H101-Y182 HydrophobicContact CB-CE1 4.12Å; H101-Y182 AromaticContact CD2-CD1 3.76Å; H101-Y182 AromaticContact CD2-CE1 3.73Å; T161-Y182 WeakPolarHBondContact OG1-CE2 3.21Å; T161-Y182 PolarHBondContact OG1-OH 2.86Å; H180-Y182 HydrophobicContact CB-CD2 3.8Å; H180-Y182 HydrophobicContact CB-CE2 3.8Å; Y182-E359 HydrophobicContact CD1-CB 3.93Å; Y182-F360 HydrophobicContact CD1-CB 4.18Å; Y182-F360 HydrophobicContact CD2-CB 3.95Å; Y182-F360 AromaticContact CD2-CD2 3.61Å; Y182-F360 HydrophobicContact CD2-CD2 3.61Å; Y182-F360 HydrophobicContact CD2-CG 4.14Å; Y182-F360 HydrophobicContact CE1-CD2 4.34Å; Y182-F360 HydrophobicContact CE2-CB 4.45Å; Y182-F360 AromaticContact CE2-CD2 3.35Å; Y182-F360 HydrophobicContact CE2-CD2 3.35Å; Y182-F360 AromaticContact CE2-CE2 3.99Å; Y182-F360 HydrophobicContact CE2-CE2 3.99Å; Y182-F360 HydrophobicContact CE2-CG 4.3Å; Y182-F360 HydrophobicContact CG-CB 3.8Å; Y182-F360 HydrophobicContact CG-CD2 4.23Å; Y182-F360 HydrophobicContact CG-CG 4.46Å; Y182-F360 AromaticContact CZ-CD2 3.73Å; Y182-H363 AromaticContact CE1-CD2 3.37Å; Y182-H363 WeakPolarHBondContact CE1-CD2 3.5Å; Y182-H363 AromaticContact CE1-NE2 3.44Å; Y182-H363 WeakPolarHBondContact CE1-NE2 3.29Å; Y182-H363 AromaticContact CZ-CD2 3.59Å; Y182-H363 AromaticContact CZ-NE2 3.88Å; Y182-H363 PolarHBondContact OH-CD2 2.85Å; Y182-H363 VanDerWaalsContact OH-CD2 3.24Å; Y182-H363 PolarHBondContact OH-NE2 3.42Å
183R92.4Very high88.7Confident24 Ų2428.4 Ų28.49%0.09114%0.139CC..EExtended strand (participates in β ladder)trans-96.2154179.9-54.9175-60.6-168.9-6.5112F70 N156 M159 E359F70-R183 HydrophobicContact CB-CG 4.1Å; F70-R183 VanDerWaalsContact O-CA 3.3Å; F70-R183 WeakPolarHBondContact O-CA 3.33Å; N156-R183 PolarHBondContact OD1-NH1 2.85Å; N156-R183 PolarHBondContact OD1-NH2 2.91Å; M159-R183 HydrophobicContact CE-CG 3.63Å; M159-R183 HydrophobicContact CG-CG 4.37Å; M159-R183 HydrophobicContact SD-CG 4.06Å; R183-E359 WeakPolarHBondContact CA-OE2 3.19Å; R183-E359 HydrophobicContact CB-CG 4.39Å; R183-E359 VanDerWaalsContact CB-OE2 3.24Å; R183-E359 WeakPolarHBondContact CB-OE2 3.41Å; R183-E359 WeakPolarHBondContact CG-OE2 3.42Å; R183-E359 IonicContact CZ-OE1 3.75Å; R183-E359 VanDerWaalsContact CZ-OE1 3.22Å; R183-E359 PolarHBondContact N-OE2 3.35Å; R183-E359 IonicContact NE-OE1 3.93Å; R183-E359 PolarHBondContact NE-OE1 3.43Å; R183-E359 IonicContact NE-OE2 3.38Å; R183-E359 PolarHBondContact NE-OE2 3.12Å; R183-E359 IonicContact NH2-OE1 3.16Å; R183-E359 PolarHBondContact NH2-OE1 2.94Å; R183-E359 WeakPolarHBondContact O-CB 3.43Å; R183-E359 PolarHBondContact O-N 3.05Å
184I91.1Very high87.9Confident0 Ų029.3 Ų29.30%014%0.142CC..EExtended strand (participates in β ladder)trans-105.1119.1163.4-62.9171.7000106.8L69 F70 S72 F316 L341 F343 P355 Y358L69-I184 HydrophobicContact CD1-CD1 4.29Å; F70-I184 PolarHBondContact O-N 2.98Å; S72-I184 PolarHBondContact N-O 2.76Å; S72-I184 VanDerWaalsContact N-O 3.15Å; I184-F316 HydrophobicContact CD1-CE1 3.85Å; I184-F316 HydrophobicContact CD1-CZ 3.63Å; I184-L341 HydrophobicContact CD1-CB 4.31Å; I184-L341 HydrophobicContact CD1-CD1 4.21Å; I184-F343 HydrophobicContact CD1-CD1 3.9Å; I184-F343 HydrophobicContact CD1-CE1 3.63Å; I184-F343 HydrophobicContact CG2-CB 4.49Å; I184-F343 HydrophobicContact CG2-CD1 4.03Å; I184-P355 HydrophobicContact CG2-CB 4.26Å; I184-P355 HydrophobicContact CG2-CG 3.49Å; I184-P355 VanDerWaalsContact CG2-CG 3.49Å; I184-Y358 HydrophobicContact CG1-CD2 3.79Å; I184-Y358 HydrophobicContact CG1-CE2 4.46Å; I184-Y358 HydrophobicContact CG1-CG 4.43Å
185H86.2Confident87Confident38 Ų3833 Ų3318%0.17616%0.159CC..  trans-73.7147178.5-65.195.3000112.8S72 R262 E357 E359S72-H185 WeakPolarHBondContact OG-CA 3Å; H185-R262 PolarHBondContact O-NH2 2.85Å; H185-E357 HydrophobicContact CB-CB 3.72Å; H185-E357 PolarHBondContact N-O 3.07Å; H185-E357 PolarHBondContact ND1-O 3.12Å; H185-E357 VanDerWaalsContact ND1-O 3.09Å; H185-E359 WeakPolarHBondContact CE1-CG 3.41Å; H185-E359 IonicContact CE1-OE1 2.76Å; H185-E359 PolarHBondContact CE1-OE1 3.35Å; H185-E359 IonicContact NE2-OE1 3.24Å; H185-E359 PolarHBondContact NE2-OE1 3.39Å
186S82.5Confident86.3Confident16 Ų1637.7 Ų37.711%0.11218%0.18CC..  trans-66.1134.8164179.40000110.4S72 K188 Q189S72-S186 PolarHBondContact OG-N 2.93Å; S72-S186 VanDerWaalsContact OG-N 3.14Å; S186-K188 PolarHBondContact O-N 2.88Å; S186-K188 VanDerWaalsContact O-N 3.14Å; S186-K188 PolarHBondContact OG-N 3.41Å; S186-Q189 PolarHBondContact O-N 3.06Å
187Y80.5Confident85.4Confident22 Ų2239 Ų399%0.08619%0.187CC..Hα-helixtrans-59.9-23.3173.763.1-91000112.5S191 N243 Y260 S376Y187-S191 WeakPolarHBondContact O-CB 3.15Å; Y187-S191 PolarHBondContact O-N 3.2Å; Y187-S191 PolarHBondContact O-OG 2.83Å; Y187-N243 WeakPolarHBondContact CD1-ND2 3.18Å; Y187-N243 VanDerWaalsContact CD2-ND2 3.3Å; Y187-N243 WeakPolarHBondContact CD2-ND2 3.3Å; Y187-N243 WeakPolarHBondContact CE1-ND2 3.38Å; Y187-N243 WeakPolarHBondContact CE2-ND2 3.36Å; Y187-Y260 AromaticContact CD2-CD1 3.52Å; Y187-Y260 HydrophobicContact CD2-CD1 3.52Å; Y187-Y260 HydrophobicContact CD2-CD2 4.12Å; Y187-Y260 HydrophobicContact CD2-CE1 4.17Å; Y187-Y260 AromaticContact CD2-CG 3.49Å; Y187-Y260 HydrophobicContact CD2-CG 3.49Å; Y187-Y260 VanDerWaalsContact CD2-CG 3.49Å; Y187-Y260 AromaticContact CE2-CD1 3.8Å; Y187-Y260 HydrophobicContact CE2-CD1 3.8Å; Y187-Y260 AromaticContact CE2-CD2 3.52Å; Y187-Y260 HydrophobicContact CE2-CD2 3.52Å; Y187-Y260 HydrophobicContact CE2-CE1 4.29Å; Y187-Y260 HydrophobicContact CE2-CE2 4.01Å; Y187-Y260 AromaticContact CE2-CG 3.38Å; Y187-Y260 HydrophobicContact CE2-CG 3.38Å; Y187-S376 WeakPolarHBondContact CB-OG 3.23Å
188K80Confident84.7Confident84 Ų8444 Ų4437%0.36521%0.214SC..Hα-helixtrans-70-34.8-177.8-61.2-173.9-178.9-172.30113.2S186 D247 Y260S186-K188 PolarHBondContact O-N 2.88Å; S186-K188 VanDerWaalsContact O-N 3.14Å; S186-K188 PolarHBondContact OG-N 3.41Å; K188-D247 WeakPolarHBondContact CD-OD2 3.12Å; K188-D247 WeakPolarHBondContact CE-OD1 3.34Å; K188-D247 VanDerWaalsContact CE-OD2 3.3Å; K188-D247 WeakPolarHBondContact CE-OD2 3.36Å; K188-D247 IonicContact NZ-OD1 2.96Å; K188-D247 PolarHBondContact NZ-OD1 2.74Å; K188-D247 IonicContact NZ-OD2 2.85Å; K188-D247 PolarHBondContact NZ-OD2 3.01Å; K188-Y260 HydrophobicContact CB-CE1 4.49Å; K188-Y260 HydrophobicContact CG-CE1 4.3Å; K188-Y260 HydrophobicContact CG-CE2 4.4Å
189Q73.7Confident83.7Confident110 Ų11048.6 Ų48.651%0.51423%0.231SC..Hα-helixtrans-78.5-38.2-174.6-74.6166.9-12.200112.3S72 N73 S186S72-Q189 PolarHBondContact OG-OE1 2.68Å; N73-Q189 PolarHBondContact OD1-NE2 2.88Å; S186-Q189 PolarHBondContact O-N 3.06Å
190N70.6Confident82.3Confident59 Ų5952.6 Ų52.632%0.31626%0.258SS..Hα-helixtrans-108.16.4-170.6-63.4-15000113.3Y375N190-Y375 HydrophobicContact CB-CD1 4.5Å
191S81.4Confident80.9Confident16 Ų1654.9 Ų54.911%0.11227%0.268CS..PPolyproline II helixtrans-80.7144.5-179.6530000112.4Y187 Y260 S376 Y378Y187-S191 WeakPolarHBondContact O-CB 3.15Å; Y187-S191 PolarHBondContact O-N 3.2Å; Y187-S191 PolarHBondContact O-OG 2.83Å; S191-Y260 WeakPolarHBondContact OG-CE1 3.39Å; S191-S376 WeakPolarHBondContact CA-O 3.5Å; S191-S376 WeakPolarHBondContact CB-O 3.17Å; S191-Y378 WeakPolarHBondContact O-CE1 3.09Å; S191-Y378 VanDerWaalsContact OG-CD1 3.32Å; S191-Y378 WeakPolarHBondContact OG-CD1 3.41Å
192K81.5Confident79.1Confident101 Ų10161.3 Ų61.344%0.43930%0.303SS..EExtended strand (participates in β ladder)trans-99.5144.9174.7-66.4-179.1174.3175.90110.5L194 Y375 S376 R377 Y378K192-L194 PolarHBondContact O-N 3.19Å; K192-Y375 HydrophobicContact CD-CD2 4Å; K192-Y375 VanDerWaalsContact CE-CD2 3.46Å; K192-Y375 HydrophobicContact CG-CD2 4.42Å; K192-S376 PolarHBondContact N-O 2.91Å; K192-S376 VanDerWaalsContact N-O 3.09Å; K192-R377 CarbonylContact O-C 3.58Å; K192-R377 VanDerWaalsContact O-CA 3.3Å; K192-R377 WeakPolarHBondContact O-CA 3.12Å; K192-Y378 WeakPolarHBondContact O-CD1 3.39Å; K192-Y378 PolarHBondContact O-N 3.45Å
193V81.9Confident77.4Confident68 Ų6868.9 Ų68.941%0.41234%0.338SS..EExtended strand (participates in β ladder)trans-61.6128.9169.9-172.90000107.9Q196 Y378V193-Q196 HydrophobicContact CG1-CB 4.46Å; V193-Y378 CarbonylContact C-O 3.58Å; V193-Y378 HydrophobicContact CB-CE2 4.44Å; V193-Y378 HydrophobicContact CG2-CE1 3.91Å; V193-Y378 HydrophobicContact CG2-CE2 3.73Å; V193-Y378 WeakPolarHBondContact CG2-OH 3.41Å
194L77.9Confident75.7Confident32 Ų3272.3 Ų72.317%0.16837%0.365CS..EExtended strand (participates in β ladder)trans-92.9-53.1171.3-176.875.5000110.2K192 Y221 T224 L227 R377 Y378 I379K192-L194 PolarHBondContact O-N 3.19Å; L194-Y221 HydrophobicContact CD2-CD1 3.82Å; L194-Y221 HydrophobicContact CD2-CE1 3.64Å; L194-T224 HydrophobicContact CD1-CG2 4.27Å; L194-T224 HydrophobicContact CD2-CG2 4.25Å; L194-L227 HydrophobicContact CD1-CD1 4.05Å; L194-L227 HydrophobicContact CD2-CD1 3.32Å; L194-L227 HydrophobicContact CG-CD1 4.31Å; L194-R377 HydrophobicContact CB-CB 4.28Å; L194-Y378 PolarHBondContact N-O 3.49Å; L194-I379 HydrophobicContact CB-CG1 4.39Å; L194-I379 HydrophobicContact CD2-CD1 4.33Å; L194-I379 HydrophobicContact CD2-CG1 4.11Å
195F77.6Confident73.9Confident78 Ų7874.2 Ų74.234%0.34238%0.375SS..EExtended strand (participates in β ladder)trans-137142.9175.3-62.4-69.8000109.8T224 I379 E380F195-T224 HydrophobicContact CE2-CG2 3.56Å; F195-T224 HydrophobicContact CZ-CG2 3.61Å; F195-I379 HydrophobicContact CB-CG1 4.28Å; F195-I379 HydrophobicContact CB-CG2 4.44Å; F195-I379 HydrophobicContact CD2-CD1 4.08Å; F195-I379 HydrophobicContact CD2-CG1 4.13Å; F195-I379 WeakPolarHBondContact O-CA 2.99Å; F195-E380 PolarHBondContact O-N 3.35Å
196Q80Confident72.2Confident113 Ų11381 Ų8153%0.52841%0.407SS..EExtended strand (participates in β ladder)trans-111.8116.4165.9-175.1-179.8-2000108.2V193 N198 E380 N382V193-Q196 HydrophobicContact CG1-CB 4.46Å; Q196-N198 PolarHBondContact NE2-OD1 3.46Å; Q196-E380 CarbonylContact C-O 3.57Å; Q196-E380 WeakPolarHBondContact CA-O 3.39Å; Q196-E380 HydrophobicContact CG-CB 4.45Å; Q196-N382 WeakPolarHBondContact CG-ND2 3.33Å; Q196-N382 PolarHBondContact NE2-ND2 2.68Å
197I78.4Confident71.1Confident35 Ų3581.1 Ų81.118%0.17941%0.407CS..EExtended strand (participates in β ladder)trans-109.9112.5179.9-55176.2000108R199 I215 L220 I379 E380 L381 N382I197-R199 HydrophobicContact CG2-CG 4.32Å; I197-I215 HydrophobicContact CD1-CG2 3.63Å; I197-I215 HydrophobicContact CG2-CD1 4.1Å; I197-L220 HydrophobicContact CD1-CD1 3.6Å; I197-I379 HydrophobicContact CD1-CG2 4.29Å; I197-E380 PolarHBondContact N-O 2.81Å; I197-L381 HydrophobicContact CB-CD2 3.76Å; I197-L381 HydrophobicContact CD1-CD2 3.75Å; I197-L381 HydrophobicContact CG1-CD2 4.08Å; I197-L381 HydrophobicContact CG2-CD2 4.48Å; I197-L381 CarbonylContact O-C 3.46Å; I197-L381 WeakPolarHBondContact O-CA 3.26Å; I197-N382 PolarHBondContact O-N 2.86Å
198N81.3Confident70.2Confident106 Ų10681.1 Ų81.157%0.56741%0.408SS*.EExtended strand (participates in β ladder)trans-98125.3175.6-59-23.7000108.8Q196 N382Q196-N198 PolarHBondContact NE2-OD1 3.46Å; N198-N382 CarbonylContact C-O 3.47Å; N198-N382 WeakPolarHBondContact CA-O 3.22Å; N198-N382 WeakPolarHBondContact OD1-CB 3.3Å; N198-N382 PolarHBondContact OD1-ND2 3.16Å
199R75.3Confident69.3Low96 Ų9683.3 Ų83.336%0.36242%0.418SS..EExtended strand (participates in β ladder)trans-131.9130173.8-78.1-165.1177.4179.91.7111.3I197 F201 N382 Y383 E384I197-R199 HydrophobicContact CG2-CG 4.32Å; R199-F201 HydrophobicContact CB-CD2 4.46Å; R199-F201 HydrophobicContact CB-CE2 3.93Å; R199-N382 PolarHBondContact N-O 3.11Å; R199-Y383 HydrophobicContact CB-CD1 3.94Å; R199-Y383 HydrophobicContact CB-CE1 4.12Å; R199-Y383 VanDerWaalsContact O-CA 3.3Å; R199-Y383 WeakPolarHBondContact O-CA 3.4Å; R199-E384 PolarHBondContact O-N 2.97Å
200T70.1Confident68.8Low106 Ų10680 Ų8065%0.6541%0.407SS*.EExtended strand (participates in β ladder)trans-96.4131.9170.447.50000109.7E384T200-E384 CarbonylContact C-O 3.6Å; T200-E384 VanDerWaalsContact CA-O 3.23Å; T200-E384 WeakPolarHBondContact CA-O 3.34Å; T200-E384 HydrophobicContact CG2-CB 4.15Å
201F65.6Low68.4Low48 Ų4877.4 Ų77.421%0.21139%0.393CS..EExtended strand (participates in β ladder)trans-116.9131.1176.1-73.7-81.1000110.7R199 Q203 I205 L211 Y383 E384 Y385 Q386R199-F201 HydrophobicContact CB-CD2 4.46Å; R199-F201 HydrophobicContact CB-CE2 3.93Å; F201-Q203 PolarHBondContact O-N 2.92Å; F201-I205 HydrophobicContact CB-CD1 4.31Å; F201-I205 HydrophobicContact CB-CG1 4.28Å; F201-I205 HydrophobicContact CD2-CD1 3.57Å; F201-I205 HydrophobicContact CD2-CG1 4.09Å; F201-I205 HydrophobicContact CE2-CD1 4.13Å; F201-I205 HydrophobicContact CG-CD1 4.1Å; F201-I205 HydrophobicContact CG-CG1 4.15Å; F201-L211 HydrophobicContact CD2-CD2 4.17Å; F201-L211 HydrophobicContact CE1-CD2 4.33Å; F201-L211 HydrophobicContact CE2-CD2 3.4Å; F201-L211 HydrophobicContact CZ-CD2 3.49Å; F201-L211 VanDerWaalsContact CZ-CD2 3.49Å; F201-Y383 AromaticContact CD2-CD1 3.98Å; F201-Y383 HydrophobicContact CD2-CD1 3.98Å; F201-Y383 AromaticContact CE2-CD1 3.44Å; F201-Y383 HydrophobicContact CE2-CD1 3.44Å; F201-Y383 VanDerWaalsContact CE2-CD1 3.44Å; F201-Y383 AromaticContact CE2-CE1 3.69Å; F201-Y383 HydrophobicContact CE2-CE1 3.69Å; F201-Y383 HydrophobicContact CZ-CE1 4.44Å; F201-E384 PolarHBondContact N-O 3.44Å; F201-Y385 VanDerWaalsContact O-CA 3.32Å; F201-Y385 WeakPolarHBondContact O-CA 3.46Å; F201-Q386 PolarHBondContact O-N 3.17Å
202N59.2Low67.6Low136 Ų13678 Ų7873%0.72739%0.394SS*.SBendtrans-76.5-12174.7-67.2-13.1000112.8
203Q57.4Low66.8Low159 Ų15981.1 Ų81.174%0.74341%0.408SS*.SBendtrans-118.9150-175.8-65.8179.4-6.700111.3F201 I205F201-Q203 PolarHBondContact O-N 2.92Å; Q203-I205 PolarHBondContact O-N 2.8Å; Q203-I205 VanDerWaalsContact O-N 3.13Å
204S57.2Low65.9Low95 Ų9583.3 Ų83.366%0.66441%0.414SS*.  trans-61.2116.2170.257.40000109.4Q206S204-Q206 PolarHBondContact O-N 2.87Å
205I54.1Low65.2Low40 Ų4082.4 Ų82.421%0.20541%0.409CS..  trans-66121.2178.7-61.8160.1000108.4F201 Q203 T207 L211 Y385F201-I205 HydrophobicContact CB-CD1 4.31Å; F201-I205 HydrophobicContact CB-CG1 4.28Å; F201-I205 HydrophobicContact CD2-CD1 3.57Å; F201-I205 HydrophobicContact CD2-CG1 4.09Å; F201-I205 HydrophobicContact CE2-CD1 4.13Å; F201-I205 HydrophobicContact CG-CD1 4.1Å; F201-I205 HydrophobicContact CG-CG1 4.15Å; Q203-I205 PolarHBondContact O-N 2.8Å; Q203-I205 VanDerWaalsContact O-N 3.13Å; I205-T207 WeakPolarHBondContact CG2-O 3.29Å; I205-L211 HydrophobicContact CB-CD1 4.47Å; I205-L211 HydrophobicContact CB-CD2 4.45Å; I205-L211 HydrophobicContact CD1-CD1 3.69Å; I205-L211 HydrophobicContact CD1-CD2 3.76Å; I205-L211 HydrophobicContact CD1-CG 4.22Å; I205-L211 HydrophobicContact CG1-CD1 4.38Å; I205-L211 HydrophobicContact CG1-CD2 3.92Å; I205-L211 HydrophobicContact CG1-CG 4.48Å; I205-L211 HydrophobicContact CG2-CD1 3.61Å; I205-L211 HydrophobicContact CG2-CD2 3.72Å; I205-L211 HydrophobicContact CG2-CG 3.47Å; I205-L211 VanDerWaalsContact CG2-CG 3.47Å; I205-Y385 HydrophobicContact CD1-CD1 4.49Å
206Q50.5Low64.7Low181 Ų18183 Ų8385%0.84642%0.416SS*.SBendtrans-68.5-37.8179.2-69.4-179.5-7.200111.9S204S204-Q206 PolarHBondContact O-N 2.87Å
207T59.5Low64Low19 Ų1977.9 Ų77.912%0.11739%0.392CS..  trans-151.1144-176.180.60000114.6I205 S210 L211 S477I205-T207 WeakPolarHBondContact CG2-O 3.29Å; T207-S210 PolarHBondContact O-N 2.8Å; T207-S210 PolarHBondContact O-OG 2.86Å; T207-S210 WeakPolarHBondContact OG1-CB 3.29Å; T207-S210 PolarHBondContact OG1-N 2.96Å; T207-S210 VanDerWaalsContact OG1-N 3.09Å; T207-S210 PolarHBondContact OG1-OG 3.33Å; T207-L211 PolarHBondContact O-N 3.15Å; T207-S477 VanDerWaalsContact CG2-CA 3.44Å; T207-S477 VanDerWaalsContact CG2-CB 3.48Å
208I60.5Low63.4Low21 Ų2180.2 Ų80.211%0.10841%0.408CS..Hα-helixtrans-63.7-40.2175.6-71.8171.2000112.3S210 L211 Q212 I248 I257I208-S210 VanDerWaalsContact C-N 3.28Å; I208-S210 PolarHBondContact O-N 3.3Å; I208-L211 WeakPolarHBondContact O-CB 2.92Å; I208-L211 PolarHBondContact O-N 2.88Å; I208-Q212 PolarHBondContact O-N 3.16Å; I208-Q212 VanDerWaalsContact O-N 3.12Å; I208-I248 HydrophobicContact CD1-CB 4.42Å; I208-I248 HydrophobicContact CD1-CD1 3.58Å; I208-I248 HydrophobicContact CD1-CG1 4.02Å; I208-I248 HydrophobicContact CD1-CG2 3.59Å; I208-I248 HydrophobicContact CG2-CD1 4.31Å; I208-I257 HydrophobicContact CB-CD1 4.29Å; I208-I257 HydrophobicContact CG1-CD1 4.14Å; I208-I257 HydrophobicContact CG2-CD1 3.45Å; I208-I257 VanDerWaalsContact CG2-CD1 3.45Å; I208-I257 HydrophobicContact CG2-CG1 4.46Å
209K61.4Low62.7Low130 Ų13080.1 Ų80.157%0.56540%0.404SS*.Hα-helixtrans-62.9-35.1178.1-72.9-176.4177.4-178.40112.2L211 Q212 K213K209-L211 VanDerWaalsContact C-N 3.34Å; K209-Q212 PolarHBondContact O-N 3.12Å; K209-K213 WeakPolarHBondContact O-CG 3.41Å; K209-K213 PolarHBondContact O-N 3.1Å
210S63.3Low62.3Low42 Ų4278.1 Ų78.129%0.29440%0.4SS..Hα-helixtrans-64.5-38.9175.667.10000112.2T207 I208 K213 Q214T207-S210 PolarHBondContact O-N 2.8Å; T207-S210 PolarHBondContact O-OG 2.86Å; T207-S210 WeakPolarHBondContact OG1-CB 3.29Å; T207-S210 PolarHBondContact OG1-N 2.96Å; T207-S210 VanDerWaalsContact OG1-N 3.09Å; T207-S210 PolarHBondContact OG1-OG 3.33Å; I208-S210 VanDerWaalsContact C-N 3.28Å; I208-S210 PolarHBondContact O-N 3.3Å; S210-K213 PolarHBondContact O-N 2.93Å; S210-Q214 WeakPolarHBondContact O-CG 3.18Å; S210-Q214 PolarHBondContact O-N 3.34Å
211L63.1Low62.2Low3 Ų373.6 Ų73.62%0.01637%0.371CS..Hα-helixtrans-62-45.4173.9-65.3175.6000112.2F201 I205 T207 I208 K209 K213 Q214 I215 Y383F201-L211 HydrophobicContact CD2-CD2 4.17Å; F201-L211 HydrophobicContact CE1-CD2 4.33Å; F201-L211 HydrophobicContact CE2-CD2 3.4Å; F201-L211 HydrophobicContact CZ-CD2 3.49Å; F201-L211 VanDerWaalsContact CZ-CD2 3.49Å; I205-L211 HydrophobicContact CB-CD1 4.47Å; I205-L211 HydrophobicContact CB-CD2 4.45Å; I205-L211 HydrophobicContact CD1-CD1 3.69Å; I205-L211 HydrophobicContact CD1-CD2 3.76Å; I205-L211 HydrophobicContact CD1-CG 4.22Å; I205-L211 HydrophobicContact CG1-CD1 4.38Å; I205-L211 HydrophobicContact CG1-CD2 3.92Å; I205-L211 HydrophobicContact CG1-CG 4.48Å; I205-L211 HydrophobicContact CG2-CD1 3.61Å; I205-L211 HydrophobicContact CG2-CD2 3.72Å; I205-L211 HydrophobicContact CG2-CG 3.47Å; I205-L211 VanDerWaalsContact CG2-CG 3.47Å; T207-L211 PolarHBondContact O-N 3.15Å; I208-L211 WeakPolarHBondContact O-CB 2.92Å; I208-L211 PolarHBondContact O-N 2.88Å; K209-L211 VanDerWaalsContact C-N 3.34Å; L211-K213 PolarHBondContact O-N 2.98Å; L211-Q214 WeakPolarHBondContact O-CB 3.35Å; L211-Q214 PolarHBondContact O-N 3.35Å; L211-I215 PolarHBondContact O-N 3.13Å; L211-Y383 HydrophobicContact CB-CE1 4.16Å; L211-Y383 HydrophobicContact CB-CE2 4.24Å; L211-Y383 WeakPolarHBondContact CB-OH 3.38Å; L211-Y383 HydrophobicContact CD1-CD1 4.09Å; L211-Y383 HydrophobicContact CD1-CD2 3.74Å; L211-Y383 HydrophobicContact CD1-CE1 4.02Å; L211-Y383 HydrophobicContact CD1-CE2 3.71Å; L211-Y383 HydrophobicContact CD1-CG 3.89Å; L211-Y383 HydrophobicContact CD2-CD1 4.3Å; L211-Y383 HydrophobicContact CD2-CE1 3.98Å; L211-Y383 HydrophobicContact CG-CE1 4.31Å
212Q63.7Low62.3Low28 Ų2877.1 Ų77.113%0.13139%0.388CS..Hα-helixtrans-63.7-41.9-180-70.4179.4-50.700112.2I208 K209 Q214 I215 I217 N246 L381I208-Q212 PolarHBondContact O-N 3.16Å; I208-Q212 VanDerWaalsContact O-N 3.12Å; K209-Q212 PolarHBondContact O-N 3.12Å; Q212-Q214 VanDerWaalsContact C-N 3.32Å; Q212-Q214 PolarHBondContact O-N 2.81Å; Q212-I215 PolarHBondContact O-N 3.41Å; Q212-I217 HydrophobicContact CB-CD1 3.76Å; Q212-I217 HydrophobicContact CG-CD1 3.8Å; Q212-N246 VanDerWaalsContact NE2-CG 3.27Å; Q212-N246 PolarHBondContact NE2-ND2 3.28Å; Q212-N246 PolarHBondContact NE2-OD1 3.42Å; Q212-L381 HydrophobicContact CG-CD1 4.41Å
213K65.8Low62.7Low168 Ų16876.4 Ų76.473%0.7338%0.384SS*.Hα-helixtrans-61.8-38.8174.1-76-174.5177.1-171.90112.1K209 S210 L211 I215 N216K209-K213 WeakPolarHBondContact O-CG 3.41Å; K209-K213 PolarHBondContact O-N 3.1Å; S210-K213 PolarHBondContact O-N 2.93Å; L211-K213 PolarHBondContact O-N 2.98Å; K213-I215 PolarHBondContact O-N 2.71Å; K213-N216 PolarHBondContact O-N 2.5Å; K213-N216 PolarHBondContact O-OD1 3.34Å
214Q62.4Low63.2Low114 Ų11469.8 Ų69.853%0.53336%0.355SS..Hα-helixtrans-67.3-19.3177.7-77.1179.3-8.100114.3S210 L211 Q212S210-Q214 WeakPolarHBondContact O-CG 3.18Å; S210-Q214 PolarHBondContact O-N 3.34Å; L211-Q214 WeakPolarHBondContact O-CB 3.35Å; L211-Q214 PolarHBondContact O-N 3.35Å; Q212-Q214 VanDerWaalsContact C-N 3.32Å; Q212-Q214 PolarHBondContact O-N 2.81Å
215I63Low63.6Low13 Ų1370.9 Ų70.97%0.06736%0.358CS..THydrogen-bonded Turntrans-95.8-2.2180-67-175.3000111.9I197 L211 Q212 K213 I217 L220 L381 Y383I197-I215 HydrophobicContact CD1-CG2 3.63Å; I197-I215 HydrophobicContact CG2-CD1 4.1Å; L211-I215 PolarHBondContact O-N 3.13Å; Q212-I215 PolarHBondContact O-N 3.41Å; K213-I215 PolarHBondContact O-N 2.71Å; I215-I217 HydrophobicContact CB-CG1 3.88Å; I215-I217 HydrophobicContact CG2-CG1 3.63Å; I215-I217 PolarHBondContact O-N 3.17Å; I215-I217 VanDerWaalsContact O-N 3.09Å; I215-L220 HydrophobicContact CG2-CD1 3.68Å; I215-L381 HydrophobicContact CD1-CD2 3.89Å; I215-L381 HydrophobicContact CG2-CD2 4.21Å; I215-Y383 HydrophobicContact CD1-CE1 4Å; I215-Y383 WeakPolarHBondContact CD1-OH 3.32Å
216N67.4Low64.2Low91 Ų9174.8 Ų74.849%0.48738%0.375SS..THydrogen-bonded Turntrans41.747.2-175.7-81.95.4000111.5K213 T218 E219 L220K213-N216 PolarHBondContact O-N 2.5Å; K213-N216 PolarHBondContact O-OD1 3.34Å; N216-T218 PolarHBondContact O-N 3.22Å; N216-E219 HydrophobicContact CB-CB 3.97Å; N216-E219 WeakPolarHBondContact CB-OE2 3.43Å; N216-E219 PolarHBondContact ND2-OE2 3.42Å; N216-E219 WeakPolarHBondContact O-CA 3.42Å; N216-E219 VanDerWaalsContact O-CB 3.25Å; N216-E219 WeakPolarHBondContact O-CB 3.48Å; N216-E219 PolarHBondContact O-N 2.89Å; N216-L220 PolarHBondContact O-N 2.01Å; N216-L220 VanDerWaalsContact O-N 3.16Å
217I65.3Low65Low4 Ų466.6 Ų66.62%0.02134%0.337CS..Hα-helixtrans-55.7-34.5-171.4-60.8164.8000111.6Q212 I215 E219 L220 Y221 I379 L381Q212-I217 HydrophobicContact CB-CD1 3.76Å; Q212-I217 HydrophobicContact CG-CD1 3.8Å; I215-I217 HydrophobicContact CB-CG1 3.88Å; I215-I217 HydrophobicContact CG2-CG1 3.63Å; I215-I217 PolarHBondContact O-N 3.17Å; I215-I217 VanDerWaalsContact O-N 3.09Å; I217-E219 VanDerWaalsContact C-N 3.3Å; I217-E219 PolarHBondContact O-N 3.06Å; I217-L220 WeakPolarHBondContact O-CB 3.41Å; I217-L220 PolarHBondContact O-N 3.36Å; I217-Y221 HydrophobicContact CG2-CD2 3.77Å; I217-Y221 HydrophobicContact CG2-CE2 3.59Å; I217-Y221 VanDerWaalsContact O-CD2 3.25Å; I217-Y221 WeakPolarHBondContact O-CD2 3.05Å; I217-Y221 PolarHBondContact O-N 3.34Å; I217-I379 HydrophobicContact CG2-CD1 3.92Å; I217-L381 HydrophobicContact CD1-CD1 3.47Å; I217-L381 VanDerWaalsContact CD1-CD1 3.47Å; I217-L381 HydrophobicContact CG1-CD1 4.38Å
218T65.8Low65.8Low85 Ų8570.2 Ų70.252%0.52135%0.354SS..Hα-helixtrans-59-40.5174.5-39.50000112.1N216 Y221 H222N216-T218 PolarHBondContact O-N 3.22Å; T218-Y221 PolarHBondContact O-N 3.14Å; T218-H222 PolarHBondContact O-CD2 3.28Å; T218-H222 PolarHBondContact O-N 3.45Å
219E66.4Low66.7Low103 Ų10374.3 Ų74.348%0.48138%0.376SS..Hα-helixtrans-69.8-40.5177.4-166.8-179.6173.900111.7N216 I217 Y221 H222 N223N216-E219 HydrophobicContact CB-CB 3.97Å; N216-E219 WeakPolarHBondContact CB-OE2 3.43Å; N216-E219 PolarHBondContact ND2-OE2 3.42Å; N216-E219 WeakPolarHBondContact O-CA 3.42Å; N216-E219 VanDerWaalsContact O-CB 3.25Å; N216-E219 WeakPolarHBondContact O-CB 3.48Å; N216-E219 PolarHBondContact O-N 2.89Å; I217-E219 VanDerWaalsContact C-N 3.3Å; I217-E219 PolarHBondContact O-N 3.06Å; E219-Y221 VanDerWaalsContact C-N 3.27Å; E219-Y221 PolarHBondContact O-N 3.3Å; E219-H222 PolarHBondContact O-N 3.37Å; E219-N223 WeakPolarHBondContact O-CB 3.17Å; E219-N223 VanDerWaalsContact O-CG 3.29Å; E219-N223 PolarHBondContact O-N 3.15Å; E219-N223 PolarHBondContact O-ND2 3.27Å
220L66.8Low67.5Low55 Ų5571 Ų7129%0.28836%0.36SS..Hα-helixtrans-56.2-43.2172.6-81.8160000111.6I197 I215 N216 I217 T224 I379I197-L220 HydrophobicContact CD1-CD1 3.6Å; I215-L220 HydrophobicContact CG2-CD1 3.68Å; N216-L220 PolarHBondContact O-N 2.01Å; N216-L220 VanDerWaalsContact O-N 3.16Å; I217-L220 WeakPolarHBondContact O-CB 3.41Å; I217-L220 PolarHBondContact O-N 3.36Å; L220-T224 PolarHBondContact O-OG1 3.49Å; L220-I379 HydrophobicContact CB-CD1 4.27Å
221Y68.2Low68.3Low10 Ų1071.2 Ų71.24%0.03936%0.362CS..Hα-helixtrans-68.1-43.1175-80-59.7000112.8L194 I217 T218 E219 N223 T224 L227 L242 Q259 Q261 I379L194-Y221 HydrophobicContact CD2-CD1 3.82Å; L194-Y221 HydrophobicContact CD2-CE1 3.64Å; I217-Y221 HydrophobicContact CG2-CD2 3.77Å; I217-Y221 HydrophobicContact CG2-CE2 3.59Å; I217-Y221 VanDerWaalsContact O-CD2 3.25Å; I217-Y221 WeakPolarHBondContact O-CD2 3.05Å; I217-Y221 PolarHBondContact O-N 3.34Å; T218-Y221 PolarHBondContact O-N 3.14Å; E219-Y221 VanDerWaalsContact C-N 3.27Å; E219-Y221 PolarHBondContact O-N 3.3Å; Y221-N223 VanDerWaalsContact C-N 3.25Å; Y221-N223 PolarHBondContact O-N 3.47Å; Y221-T224 WeakPolarHBondContact CA-OG1 3.41Å; Y221-T224 PolarHBondContact O-N 2.67Å; Y221-T224 PolarHBondContact O-OG1 2.7Å; Y221-L227 HydrophobicContact CD1-CD1 3.56Å; Y221-L227 HydrophobicContact CE1-CD1 4.02Å; Y221-L242 HydrophobicContact CD2-CD1 3.72Å; Y221-L242 HydrophobicContact CE2-CD1 3.47Å; Y221-L242 VanDerWaalsContact CE2-CD1 3.47Å; Y221-Q259 HydrophobicContact CE2-CG 4.49Å; Y221-Q259 PolarHBondContact OH-O 3.28Å; Y221-Q261 HydrophobicContact CD1-CB 4.27Å; Y221-Q261 HydrophobicContact CE1-CB 3.73Å; Y221-I379 HydrophobicContact CD1-CD1 3.97Å; Y221-I379 HydrophobicContact CD2-CD1 3.82Å; Y221-I379 HydrophobicContact CE1-CD1 3.64Å; Y221-I379 HydrophobicContact CE1-CG1 3.79Å; Y221-I379 HydrophobicContact CE2-CD1 3.46Å; Y221-I379 VanDerWaalsContact CE2-CD1 3.46Å; Y221-I379 HydrophobicContact CE2-CG1 4.04Å; Y221-I379 HydrophobicContact CG-CD1 4.08Å; Y221-I379 VanDerWaalsContact CZ-CG1 3.48Å; Y221-I379 WeakPolarHBondContact OH-CG1 3.45Å; Y221-I379 PolarHBondContact OH-N 2.99Å; Y221-I379 VanDerWaalsContact OH-N 3.1Å
222H66.9Low68.6Low122 Ų12272.2 Ų72.257%0.56537%0.365SS*.Hα-helixtrans-64.5-28.4178.3-78.2-56.6000113.2T218 E219 T224 M228T218-H222 PolarHBondContact O-CD2 3.28Å; T218-H222 PolarHBondContact O-N 3.45Å; E219-H222 PolarHBondContact O-N 3.37Å; H222-T224 VanDerWaalsContact C-N 3.35Å; H222-M228 WeakPolarHBondContact O-CE 3.35Å
223N67.5Low68.8Low121 Ų12174.5 Ų74.565%0.64738%0.378SS*.THydrogen-bonded Turntrans-82.7-12.2178.6-68.9-15.7000113.3E219 Y221 T225E219-N223 WeakPolarHBondContact O-CB 3.17Å; E219-N223 VanDerWaalsContact O-CG 3.29Å; E219-N223 PolarHBondContact O-N 3.15Å; E219-N223 PolarHBondContact O-ND2 3.27Å; Y221-N223 VanDerWaalsContact C-N 3.25Å; Y221-N223 PolarHBondContact O-N 3.47Å; N223-T225 PolarHBondContact O-N 3.13Å
224T67.7Low69Low21 Ų2171.8 Ų71.813%0.12937%0.371CS..  trans-83.7108.6175.723.10000112.1L194 F195 L220 Y221 H222 E226 L227L194-T224 HydrophobicContact CD1-CG2 4.27Å; L194-T224 HydrophobicContact CD2-CG2 4.25Å; F195-T224 HydrophobicContact CE2-CG2 3.56Å; F195-T224 HydrophobicContact CZ-CG2 3.61Å; L220-T224 PolarHBondContact O-OG1 3.49Å; Y221-T224 WeakPolarHBondContact CA-OG1 3.41Å; Y221-T224 PolarHBondContact O-N 2.67Å; Y221-T224 PolarHBondContact O-OG1 2.7Å; H222-T224 VanDerWaalsContact C-N 3.35Å; T224-E226 PolarHBondContact O-N 2.83Å; T224-L227 PolarHBondContact O-N 2.98Å; T224-L227 VanDerWaalsContact O-N 3.08Å; T224-L227 VanDerWaalsContact OG1-CD1 3.26Å; T224-L227 WeakPolarHBondContact OG1-CD1 3.45Å
225T66.8Low69.5Low118 Ų11866.9 Ų66.972%0.72435%0.349SS*.G310 helixtrans-57.9-32.817851.70000113.4N223 L227 M228N223-T225 PolarHBondContact O-N 3.13Å; T225-L227 PolarHBondContact O-N 3.12Å; T225-L227 VanDerWaalsContact O-N 3.12Å; T225-M228 WeakPolarHBondContact O-CB 3.31Å; T225-M228 PolarHBondContact O-N 3.2Å
226E66.5Low70.4Confident121 Ų12166.5 Ų66.557%0.56535%0.347SS*.G310 helixtrans-61.8-17.6177.2-65.7-172.3-170.900114.2T224T224-E226 PolarHBondContact O-N 2.83Å
227L67.9Low71.2Confident10 Ų1065.5 Ų65.55%0.05234%0.342CS..G310 helixtrans-112.18.8-174.5-63.4165.8000112.8L194 Y221 T224 T225 F240 R377L194-L227 HydrophobicContact CD1-CD1 4.05Å; L194-L227 HydrophobicContact CD2-CD1 3.32Å; L194-L227 HydrophobicContact CG-CD1 4.31Å; Y221-L227 HydrophobicContact CD1-CD1 3.56Å; Y221-L227 HydrophobicContact CE1-CD1 4.02Å; T224-L227 PolarHBondContact O-N 2.98Å; T224-L227 VanDerWaalsContact O-N 3.08Å; T224-L227 VanDerWaalsContact OG1-CD1 3.26Å; T224-L227 WeakPolarHBondContact OG1-CD1 3.45Å; T225-L227 PolarHBondContact O-N 3.12Å; T225-L227 VanDerWaalsContact O-N 3.12Å; L227-F240 HydrophobicContact CD2-CD1 3.72Å; L227-F240 HydrophobicContact CD2-CE1 3.83Å; L227-F240 HydrophobicContact CD2-CG 4.09Å; L227-F240 HydrophobicContact CD2-CZ 4.28Å; L227-F240 VanDerWaalsContact O-CD2 3.28Å; L227-F240 WeakPolarHBondContact O-CD2 3.37Å; L227-R377 HydrophobicContact CD2-CB 4.2Å; L227-R377 HydrophobicContact CD2-CG 3.92Å
228M74.9Confident72.3Confident95 Ų9565.4 Ų65.447%0.46834%0.341SS..SBendtrans-69.2150169.7-68.3-66.2179.300110.1H222 T225 Y230H222-M228 WeakPolarHBondContact O-CE 3.35Å; T225-M228 WeakPolarHBondContact O-CB 3.31Å; T225-M228 PolarHBondContact O-N 3.2Å; M228-Y230 WeakPolarHBondContact O-CD1 3.28Å; M228-Y230 PolarHBondContact O-N 2.84Å
229D79.8Confident73.3Confident106 Ų10662 Ų6257%0.56732%0.32SS*.  trans-64.2132.8169.9-68.2-4.7000108.9I238 T239 F240D229-I238 VanDerWaalsContact CA-O 3.31Å; D229-I238 WeakPolarHBondContact CA-O 3.33Å; D229-T239 HydrophobicContact CB-CG2 4.18Å; D229-T239 WeakPolarHBondContact OD1-CA 3.16Å; D229-T239 VanDerWaalsContact OD1-CB 3.32Å; D229-T239 WeakPolarHBondContact OD1-CB 2.87Å; D229-T239 WeakPolarHBondContact OD2-CG2 3.35Å; D229-F240 PolarHBondContact OD1-N 3.13Å
230Y79.1Confident74.2Confident62 Ų6258.1 Ų58.124%0.24330%0.302CS..EExtended strand (participates in β ladder)trans-145.5161-17970-88.9000111.9M228 Y232 I238 F240 F372M228-Y230 WeakPolarHBondContact O-CD1 3.28Å; M228-Y230 PolarHBondContact O-N 2.84Å; Y230-Y232 HydrophobicContact CE2-CD2 4.15Å; Y230-I238 HydrophobicContact CD1-CB 4.4Å; Y230-I238 HydrophobicContact CE1-CB 3.98Å; Y230-I238 HydrophobicContact CE1-CD1 4.5Å; Y230-I238 HydrophobicContact CE1-CG2 3.8Å; Y230-I238 HydrophobicContact CE2-CB 4.26Å; Y230-I238 HydrophobicContact CE2-CD1 3.81Å; Y230-I238 HydrophobicContact CE2-CG1 4.46Å; Y230-I238 PolarHBondContact N-O 2.92Å; Y230-I238 PolarHBondContact O-N 2.78Å; Y230-I238 WeakPolarHBondContact OH-CD1 3.43Å; Y230-F240 HydrophobicContact CD1-CE2 4.29Å; Y230-F240 AromaticContact CE1-CE2 3.85Å; Y230-F240 HydrophobicContact CE1-CE2 3.85Å; Y230-F240 HydrophobicContact CE1-CZ 4.21Å; Y230-F372 HydrophobicContact CE1-CE1 4.39Å; Y230-F372 HydrophobicContact CE1-CZ 4.19Å; Y230-F372 HydrophobicContact CE2-CZ 4.47Å; Y230-F372 AromaticContact CZ-CE1 3.78Å; Y230-F372 AromaticContact CZ-CZ 3.77Å; Y230-F372 WeakPolarHBondContact OH-CD1 3.37Å; Y230-F372 WeakPolarHBondContact OH-CE1 3.39Å; Y230-F372 WeakPolarHBondContact OH-CZ 3.48Å
231S78.7Confident75.1Confident46 Ų4659.3 Ų59.332%0.32231%0.305SS..EExtended strand (participates in β ladder)trans-96.4115.9172.2-154.90000109.8L233 N234 L236 N237S231-L233 PolarHBondContact O-N 3.44Å; S231-N234 WeakPolarHBondContact OG-CA 3.18Å; S231-L236 CarbonylContact C-O 3.58Å; S231-L236 WeakPolarHBondContact CA-O 3.12Å; S231-N237 PolarHBondContact OG-OD1 3.43Å
232Y70.5Confident75.8Confident24 Ų2461.9 Ų61.99%0.09432%0.319CS..EExtended strand (participates in β ladder)trans-79.5114.8177.2-177.1-96.7000110.2Y230 N234 I235 L236 I238 I366 P367 F372Y230-Y232 HydrophobicContact CE2-CD2 4.15Å; Y232-N234 PolarHBondContact O-N 2.93Å; Y232-I235 PolarHBondContact O-N 2.89Å; Y232-L236 PolarHBondContact N-O 2.88Å; Y232-L236 PolarHBondContact O-N 3.42Å; Y232-I238 HydrophobicContact CG-CD1 4.31Å; Y232-I366 HydrophobicContact CD1-CG2 4.05Å; Y232-I366 HydrophobicContact CE1-CG2 3.44Å; Y232-I366 VanDerWaalsContact CE1-CG2 3.44Å; Y232-P367 PolarHBondContact OH-O 3.46Å; Y232-F372 HydrophobicContact CE2-CB 3.76Å; Y232-F372 HydrophobicContact CE2-CG 4.18Å
233L68.5Low76.3Confident75 Ų7556.4 Ų56.439%0.39329%0.293SS..THydrogen-bonded Turntrans51.624.4-177.2-58.7178.1000113.2S231 I235 P367 I369S231-L233 PolarHBondContact O-N 3.44Å; L233-I235 HydrophobicContact CB-CD1 4.06Å; L233-I235 HydrophobicContact CB-CG1 4.3Å; L233-I235 WeakPolarHBondContact O-CG1 3.3Å; L233-I235 PolarHBondContact O-N 3.14Å; L233-P367 HydrophobicContact CD1-CB 3.89Å; L233-P367 HydrophobicContact CD1-CG 3.8Å; L233-I369 HydrophobicContact CD2-CD1 4.05Å
234N68.2Low76.3Confident111 Ų11158 Ų5859%0.59430%0.297SS*.THydrogen-bonded Turntrans58.42.3-167-61.2-25.2000115.3S231 Y232 R305S231-N234 WeakPolarHBondContact OG-CA 3.18Å; Y232-N234 PolarHBondContact O-N 2.93Å; N234-R305 PolarHBondContact O-NE 2.79Å; N234-R305 PolarHBondContact O-NH2 3.23Å
235I73.2Confident76.4Confident11 Ų1162.9 Ų62.96%0.05632%0.318CS..THydrogen-bonded Turntrans-85.8-48.6-177.2-62.4166000111.1Y232 L233 Y274 R305 I308Y232-I235 PolarHBondContact O-N 2.89Å; L233-I235 HydrophobicContact CB-CD1 4.06Å; L233-I235 HydrophobicContact CB-CG1 4.3Å; L233-I235 WeakPolarHBondContact O-CG1 3.3Å; L233-I235 PolarHBondContact O-N 3.14Å; I235-Y274 PolarHBondContact O-OH 2.75Å; I235-R305 HydrophobicContact CB-CG 4.08Å; I235-R305 HydrophobicContact CG1-CG 3.85Å; I235-R305 HydrophobicContact CG2-CG 3.98Å; I235-I308 HydrophobicContact CG2-CD1 3.66Å
236L82.1Confident76.5Confident6 Ų659.3 Ų59.33%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-120.8133.8-173.9-66.1-179.9000111.4S231 Y232 I265 I267 I308 L312 I366S231-L236 CarbonylContact C-O 3.58Å; S231-L236 WeakPolarHBondContact CA-O 3.12Å; Y232-L236 PolarHBondContact N-O 2.88Å; Y232-L236 PolarHBondContact O-N 3.42Å; L236-I265 HydrophobicContact CB-CG2 4.26Å; L236-I265 HydrophobicContact CD1-CD1 3.91Å; L236-I265 HydrophobicContact CD1-CG1 4.46Å; L236-I265 HydrophobicContact CD1-CG2 4.38Å; L236-I265 HydrophobicContact CD2-CG2 3.85Å; L236-I265 HydrophobicContact CG-CG2 4.4Å; L236-I267 HydrophobicContact CD2-CD1 4.4Å; L236-I308 HydrophobicContact CD2-CG2 3.77Å; L236-L312 HydrophobicContact CD2-CD1 4.13Å; L236-I366 HydrophobicContact CD1-CD1 3.53Å; L236-I366 HydrophobicContact CD1-CG1 4.4Å; L236-I366 HydrophobicContact CG-CD1 4.43Å
237N85.7Confident76.8Confident70 Ų7055.4 Ų55.437%0.37428%0.278SS..EExtended strand (participates in β ladder)trans-89.5116.2171.2-69.6-21.1000109.4S231 I265 K266S231-N237 PolarHBondContact OG-OD1 3.43Å; N237-I265 CarbonylContact O-C 3.55Å; N237-I265 WeakPolarHBondContact O-CA 3.1Å; N237-K266 HydrophobicContact CB-CB 4.16Å; N237-K266 PolarHBondContact O-N 3.39Å
238I86.4Confident76.9Confident2 Ų258.6 Ų58.61%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-102.1135.5-179.2-64.2176.3000108.7D229 Y230 Y232 F240 C263 Y264 L374D229-I238 VanDerWaalsContact CA-O 3.31Å; D229-I238 WeakPolarHBondContact CA-O 3.33Å; Y230-I238 HydrophobicContact CD1-CB 4.4Å; Y230-I238 HydrophobicContact CE1-CB 3.98Å; Y230-I238 HydrophobicContact CE1-CD1 4.5Å; Y230-I238 HydrophobicContact CE1-CG2 3.8Å; Y230-I238 HydrophobicContact CE2-CB 4.26Å; Y230-I238 HydrophobicContact CE2-CD1 3.81Å; Y230-I238 HydrophobicContact CE2-CG1 4.46Å; Y230-I238 PolarHBondContact N-O 2.92Å; Y230-I238 PolarHBondContact O-N 2.78Å; Y230-I238 WeakPolarHBondContact OH-CD1 3.43Å; Y232-I238 HydrophobicContact CG-CD1 4.31Å; I238-F240 HydrophobicContact CG2-CE2 4.1Å; I238-F240 HydrophobicContact CG2-CZ 4.24Å; I238-C263 VanDerWaalsContact CG2-SG 3.53Å; I238-Y264 CarbonylContact C-O 3.6Å; I238-Y264 WeakPolarHBondContact CA-O 3.32Å; I238-L374 HydrophobicContact CD1-CD2 3.54Å
239T87.6Confident76.7Confident13 Ų1358.6 Ų58.68%0.0829%0.293CS..EExtended strand (participates in β ladder)trans-135.4151.4-179.562.70000110.1D229 Y264 K266D229-T239 HydrophobicContact CB-CG2 4.18Å; D229-T239 WeakPolarHBondContact OD1-CA 3.16Å; D229-T239 VanDerWaalsContact OD1-CB 3.32Å; D229-T239 WeakPolarHBondContact OD1-CB 2.87Å; D229-T239 WeakPolarHBondContact OD2-CG2 3.35Å; T239-Y264 PolarHBondContact N-O 2.05Å; T239-Y264 PolarHBondContact O-N 3.45Å; T239-Y264 PolarHBondContact OG1-O 3.25Å; T239-K266 HydrophobicContact CG2-CB 4.38Å
240F86Confident76Confident21 Ų2159.7 Ų59.79%0.09229%0.293CS..EExtended strand (participates in β ladder)trans-116129-179.9-65.9-91.2000111.3L227 D229 Y230 I238 Q261 R262 C263L227-F240 HydrophobicContact CD2-CD1 3.72Å; L227-F240 HydrophobicContact CD2-CE1 3.83Å; L227-F240 HydrophobicContact CD2-CG 4.09Å; L227-F240 HydrophobicContact CD2-CZ 4.28Å; L227-F240 VanDerWaalsContact O-CD2 3.28Å; L227-F240 WeakPolarHBondContact O-CD2 3.37Å; D229-F240 PolarHBondContact OD1-N 3.13Å; Y230-F240 HydrophobicContact CD1-CE2 4.29Å; Y230-F240 AromaticContact CE1-CE2 3.85Å; Y230-F240 HydrophobicContact CE1-CE2 3.85Å; Y230-F240 HydrophobicContact CE1-CZ 4.21Å; I238-F240 HydrophobicContact CG2-CE2 4.1Å; I238-F240 HydrophobicContact CG2-CZ 4.24Å; F240-Q261 HydrophobicContact CB-CG 3.92Å; F240-Q261 VanDerWaalsContact CB-NE2 3.31Å; F240-R262 WeakPolarHBondContact CA-O 3.33Å; F240-C263 HydrophobicContact CD1-CB 4.05Å; F240-C263 HydrophobicContact CE1-CB 3.73Å
241K85.9Confident75.3Confident81 Ų8163.8 Ų63.835%0.35231%0.314SS..EExtended strand (participates in β ladder)trans-118.1133.7178.6-67.3-65.7-176.8-172.70111.1Q261 R262 Y264 Y346 L353K241-Q261 CarbonylContact O-C 3.55Å; K241-Q261 WeakPolarHBondContact O-CA 3.12Å; K241-R262 PolarHBondContact N-O 2.81Å; K241-R262 PolarHBondContact O-N 3.01Å; K241-Y264 HydrophobicContact CB-CD2 3.98Å; K241-Y264 HydrophobicContact CB-CE2 3.85Å; K241-Y264 HydrophobicContact CG-CD2 4.08Å; K241-Y264 HydrophobicContact CG-CE2 4.32Å; K241-Y346 HydrophobicContact CB-CE2 4.15Å; K241-Y346 HydrophobicContact CG-CE2 4.22Å; K241-L353 HydrophobicContact CG-CD1 4.16Å
242L81.3Confident74.6Confident64 Ų6467.4 Ų67.434%0.33534%0.339SS..EExtended strand (participates in β ladder)trans-67.8132.3170.8-164.989000109.3Y221 Q259Y221-L242 HydrophobicContact CD2-CD1 3.72Å; Y221-L242 HydrophobicContact CE2-CD1 3.47Å; Y221-L242 VanDerWaalsContact CE2-CD1 3.47Å; L242-Q259 HydrophobicContact CD1-CG 4.01Å; L242-Q259 VanDerWaalsContact CD2-NE2 3.25Å; L242-Q259 HydrophobicContact CG-CG 4.45Å
243N77.4Confident74.4Confident6 Ų666.4 Ų66.43%0.03234%0.337CS..  trans-80.2133.4168.1-72.1-13.6000109.7Y187 E245 Y260Y187-N243 WeakPolarHBondContact CD1-ND2 3.18Å; Y187-N243 VanDerWaalsContact CD2-ND2 3.3Å; Y187-N243 WeakPolarHBondContact CD2-ND2 3.3Å; Y187-N243 WeakPolarHBondContact CE1-ND2 3.38Å; Y187-N243 WeakPolarHBondContact CE2-ND2 3.36Å; N243-E245 VanDerWaalsContact C-N 3.35Å; N243-Y260 PolarHBondContact N-O 3.38Å
244E68.5Low74.7Confident154 Ų15468.5 Ų68.572%0.7234%0.342SS*.SBendtrans-76.4-25.2-179.9-62.2-177.4175.200112.6
245E69.9Low75Confident124 Ų12463.8 Ų63.858%0.57932%0.317SS*.  trans-86113.1178.8-65.9179-17200110.4N243N243-E245 VanDerWaalsContact C-N 3.35Å
246N68.8Low75.2Confident44 Ų4465.9 Ų65.924%0.23533%0.326CS..  trans-91139.5176.6-58.3-56.8000110.9Q212 I248 I257 Q259Q212-N246 VanDerWaalsContact NE2-CG 3.27Å; Q212-N246 PolarHBondContact NE2-ND2 3.28Å; Q212-N246 PolarHBondContact NE2-OD1 3.42Å; N246-I248 HydrophobicContact CB-CG1 4.41Å; N246-I257 HydrophobicContact CB-CG2 4.1Å; N246-Q259 WeakPolarHBondContact OD1-CG 3.31Å
247D71.9Confident75Confident39 Ų3965.6 Ų65.621%0.20933%0.325CS..EExtended strand (participates in β ladder)trans-81.9123.8166.4-70.7-25.8000108.7K188 I257 K258 Y260K188-D247 WeakPolarHBondContact CD-OD2 3.12Å; K188-D247 WeakPolarHBondContact CE-OD1 3.34Å; K188-D247 VanDerWaalsContact CE-OD2 3.3Å; K188-D247 WeakPolarHBondContact CE-OD2 3.36Å; K188-D247 IonicContact NZ-OD1 2.96Å; K188-D247 PolarHBondContact NZ-OD1 2.74Å; K188-D247 IonicContact NZ-OD2 2.85Å; K188-D247 PolarHBondContact NZ-OD2 3.01Å; D247-I257 CarbonylContact O-C 3.51Å; D247-I257 VanDerWaalsContact O-CA 3.3Å; D247-I257 WeakPolarHBondContact O-CA 3.03Å; D247-K258 HydrophobicContact CB-CB 4.22Å; D247-K258 PolarHBondContact N-O 3.04Å; D247-K258 PolarHBondContact O-N 2.78Å; D247-Y260 HydrophobicContact CB-CE2 4.15Å; D247-Y260 WeakPolarHBondContact OD2-CE2 3.31Å; D247-Y260 PolarHBondContact OD2-OH 3.08Å
248I70.6Confident74.8Confident77 Ų7764 Ų6440%0.39531%0.314SS..EExtended strand (participates in β ladder)trans-120.9112-179.4-60.2155.3000107.9I208 N246 K250 I255 K256 I257I208-I248 HydrophobicContact CD1-CB 4.42Å; I208-I248 HydrophobicContact CD1-CD1 3.58Å; I208-I248 HydrophobicContact CD1-CG1 4.02Å; I208-I248 HydrophobicContact CD1-CG2 3.59Å; I208-I248 HydrophobicContact CG2-CD1 4.31Å; N246-I248 HydrophobicContact CB-CG1 4.41Å; I248-K250 HydrophobicContact CG2-CD 4.46Å; I248-K250 HydrophobicContact CG2-CG 3.92Å; I248-I255 HydrophobicContact CG2-CG2 4.22Å; I248-K256 WeakPolarHBondContact CA-O 3Å; I248-I257 HydrophobicContact CG1-CG1 4.23Å
249E70.8Confident74.6Confident94 Ų9464.5 Ų64.544%0.43932%0.317SS..EExtended strand (participates in β ladder)trans-100.7130.6169.6-69.9165.9-159.800107.9I255 K256E249-I255 WeakPolarHBondContact O-CA 3.47Å; E249-K256 HydrophobicContact CB-CB 4.13Å; E249-K256 PolarHBondContact N-O 3.4Å; E249-K256 PolarHBondContact O-N 2.77Å
250K65.5Low74.5Confident130 Ų13064.2 Ų64.257%0.56531%0.314SS*.EExtended strand (participates in β ladder)trans-126121.8177.9-62.3-173.3-178.1175.70109.6I248 I255I248-K250 HydrophobicContact CG2-CD 4.46Å; I248-K250 HydrophobicContact CG2-CG 3.92Å; K250-I255 HydrophobicContact CG-CG1 4.25Å; K250-I255 HydrophobicContact CG-CG2 4.3Å
251E63.6Low74.3Confident148 Ų14864 Ų6469%0.69231%0.313SS*.EExtended strand (participates in β ladder)trans-135.4113.6175.9-67.7-173.2166.800109.2G253 K254E251-G253 PolarHBondContact O-N 3.21Å; E251-G253 VanDerWaalsContact O-N 3.08Å; E251-K254 PolarHBondContact N-O 2.75Å; E251-K254 WeakPolarHBondContact O-CA 3.39Å; E251-K254 WeakPolarHBondContact O-CB 3.33Å; E251-K254 PolarHBondContact O-N 2.81Å
252S64.3Low74.4Confident121 Ų12160.2 Ų60.285%0.84630%0.297SS*.THydrogen-bonded Turntrans28.567.8165.2-60.20000117
253G65.9Low74.7Confident4 Ų457.2 Ų57.24%0.04128%0.281CS..THydrogen-bonded Turntrans92.6-9.3179.600000114.9E251 E384 Y385E251-G253 PolarHBondContact O-N 3.21Å; E251-G253 VanDerWaalsContact O-N 3.08Å; G253-E384 CarbonylContact O-C 3.02Å; G253-E384 WeakPolarHBondContact O-CA 3.4Å; G253-Y385 WeakPolarHBondContact O-CD1 3.42Å; G253-Y385 WeakPolarHBondContact O-CE1 3.33Å; G253-Y385 PolarHBondContact O-N 3.3Å
254K74.5Confident75.4Confident118 Ų11856.9 Ų56.951%0.51328%0.28SS..EExtended strand (participates in β ladder)trans-111.8132.3175.6-60.3-179.9-179.8-178.40110.4E251 Y383 E384E251-K254 PolarHBondContact N-O 2.75Å; E251-K254 WeakPolarHBondContact O-CA 3.39Å; E251-K254 WeakPolarHBondContact O-CB 3.33Å; E251-K254 PolarHBondContact O-N 2.81Å; K254-Y383 CarbonylContact C-O 3.54Å; K254-Y383 VanDerWaalsContact CA-O 3.22Å; K254-Y383 WeakPolarHBondContact CA-O 3.45Å; K254-E384 WeakPolarHBondContact CE-OE1 3.35Å; K254-E384 HydrophobicContact CG-CG 4.28Å; K254-E384 IonicContact NZ-OE1 2.61Å
255I74.6Confident76.4Confident12 Ų1249.6 Ų49.66%0.06225%0.245CC..EExtended strand (participates in β ladder)trans-122.6120.6173.1-57169.8000106.9I248 E249 K250 I257 Y383 Y385I248-I255 HydrophobicContact CG2-CG2 4.22Å; E249-I255 WeakPolarHBondContact O-CA 3.47Å; K250-I255 HydrophobicContact CG-CG1 4.25Å; K250-I255 HydrophobicContact CG-CG2 4.3Å; I255-I257 HydrophobicContact CG2-CD1 3.95Å; I255-I257 HydrophobicContact CG2-CG1 3.83Å; I255-Y383 HydrophobicContact CB-CD2 4.47Å; I255-Y383 PolarHBondContact N-O 2.82Å; I255-Y383 PolarHBondContact O-N 2.95Å; I255-Y385 HydrophobicContact CD1-CD1 4.2Å; I255-Y385 HydrophobicContact CD1-CE1 3.78Å; I255-Y385 HydrophobicContact CG1-CD1 4.4Å; I255-Y385 HydrophobicContact CG1-CE1 3.86Å
256K77.5Confident77.4Confident56 Ų5647.6 Ų47.624%0.24324%0.235CC..EExtended strand (participates in β ladder)trans-108.6124175.2174167.8-175.9160.80108.8I248 E249 K258 E380 L381 N382I248-K256 WeakPolarHBondContact CA-O 3Å; E249-K256 HydrophobicContact CB-CB 4.13Å; E249-K256 PolarHBondContact N-O 3.4Å; E249-K256 PolarHBondContact O-N 2.77Å; K256-K258 VanDerWaalsContact CE-CE 3.49Å; K256-E380 VanDerWaalsContact CE-OE1 3.24Å; K256-E380 WeakPolarHBondContact CE-OE1 3.49Å; K256-E380 WeakPolarHBondContact CE-OE2 3.48Å; K256-E380 HydrophobicContact CG-CG 4.4Å; K256-E380 IonicContact NZ-OE1 2.73Å; K256-E380 PolarHBondContact NZ-OE1 3.09Å; K256-E380 IonicContact NZ-OE2 2.79Å; K256-E380 PolarHBondContact NZ-OE2 3.19Å; K256-L381 CarbonylContact C-O 3.49Å; K256-L381 WeakPolarHBondContact CA-O 3.14Å; K256-N382 WeakPolarHBondContact CG-OD1 3.39Å
257I78.3Confident78.5Confident0 Ų045.6 Ų45.60%022%0.224CC..EExtended strand (participates in β ladder)trans-121.5121.8-179-59.2169000108.1I208 N246 D247 I248 I255 L381 Y383I208-I257 HydrophobicContact CB-CD1 4.29Å; I208-I257 HydrophobicContact CG1-CD1 4.14Å; I208-I257 HydrophobicContact CG2-CD1 3.45Å; I208-I257 VanDerWaalsContact CG2-CD1 3.45Å; I208-I257 HydrophobicContact CG2-CG1 4.46Å; N246-I257 HydrophobicContact CB-CG2 4.1Å; D247-I257 CarbonylContact O-C 3.51Å; D247-I257 VanDerWaalsContact O-CA 3.3Å; D247-I257 WeakPolarHBondContact O-CA 3.03Å; I248-I257 HydrophobicContact CG1-CG1 4.23Å; I255-I257 HydrophobicContact CG2-CD1 3.95Å; I255-I257 HydrophobicContact CG2-CG1 3.83Å; I257-L381 HydrophobicContact CB-CB 4.25Å; I257-L381 HydrophobicContact CB-CD1 4.45Å; I257-L381 PolarHBondContact N-O 2.98Å; I257-L381 PolarHBondContact O-N 2.91Å; I257-Y383 HydrophobicContact CD1-CD2 4Å; I257-Y383 HydrophobicContact CD1-CE2 3.67Å; I257-Y383 HydrophobicContact CG1-CE2 4.35Å
258K82.3Confident79.4Confident37 Ų3744.7 Ų44.716%0.16122%0.221CC..EExtended strand (participates in β ladder)trans-104.8121.2169.9-59176.5-178.9170.20109D247 K256 Y260 Y378 I379D247-K258 HydrophobicContact CB-CB 4.22Å; D247-K258 PolarHBondContact N-O 3.04Å; D247-K258 PolarHBondContact O-N 2.78Å; K256-K258 VanDerWaalsContact CE-CE 3.49Å; K258-Y260 HydrophobicContact CB-CD2 4.38Å; K258-Y260 HydrophobicContact CB-CE2 3.63Å; K258-Y260 WeakPolarHBondContact CD-OH 3.08Å; K258-Y378 HydrophobicContact CB-CD2 4.14Å; K258-Y378 HydrophobicContact CD-CD2 4.2Å; K258-Y378 HydrophobicContact CD-CE2 3.94Å; K258-Y378 HydrophobicContact CG-CD2 4.03Å; K258-Y378 HydrophobicContact CG-CE2 4.07Å; K258-I379 WeakPolarHBondContact CA-O 3.5Å
259Q81.5Confident80.2Confident12 Ų1241.3 Ų41.36%0.05620%0.204CC..EExtended strand (participates in β ladder)trans-111.7120173.6-178.5170.9-19.500108Y221 L242 N246 Y378 I379Y221-Q259 HydrophobicContact CE2-CG 4.49Å; Y221-Q259 PolarHBondContact OH-O 3.28Å; L242-Q259 HydrophobicContact CD1-CG 4.01Å; L242-Q259 VanDerWaalsContact CD2-NE2 3.25Å; L242-Q259 HydrophobicContact CG-CG 4.45Å; N246-Q259 WeakPolarHBondContact OD1-CG 3.31Å; Q259-Y378 WeakPolarHBondContact O-CA 3.26Å; Q259-Y378 WeakPolarHBondContact O-CB 3.33Å; Q259-I379 PolarHBondContact N-O 3.22Å; Q259-I379 PolarHBondContact O-N 2.81Å
260Y84.7Confident80.7Confident6 Ų641.4 Ų41.42%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-99.5144.2-171.5-60.1-99.3000111.2Y187 K188 S191 N243 D247 K258 R377 Y378Y187-Y260 AromaticContact CD2-CD1 3.52Å; Y187-Y260 HydrophobicContact CD2-CD1 3.52Å; Y187-Y260 HydrophobicContact CD2-CD2 4.12Å; Y187-Y260 HydrophobicContact CD2-CE1 4.17Å; Y187-Y260 AromaticContact CD2-CG 3.49Å; Y187-Y260 HydrophobicContact CD2-CG 3.49Å; Y187-Y260 VanDerWaalsContact CD2-CG 3.49Å; Y187-Y260 AromaticContact CE2-CD1 3.8Å; Y187-Y260 HydrophobicContact CE2-CD1 3.8Å; Y187-Y260 AromaticContact CE2-CD2 3.52Å; Y187-Y260 HydrophobicContact CE2-CD2 3.52Å; Y187-Y260 HydrophobicContact CE2-CE1 4.29Å; Y187-Y260 HydrophobicContact CE2-CE2 4.01Å; Y187-Y260 AromaticContact CE2-CG 3.38Å; Y187-Y260 HydrophobicContact CE2-CG 3.38Å; K188-Y260 HydrophobicContact CB-CE1 4.49Å; K188-Y260 HydrophobicContact CG-CE1 4.3Å; K188-Y260 HydrophobicContact CG-CE2 4.4Å; S191-Y260 WeakPolarHBondContact OG-CE1 3.39Å; N243-Y260 PolarHBondContact N-O 3.38Å; D247-Y260 HydrophobicContact CB-CE2 4.15Å; D247-Y260 WeakPolarHBondContact OD2-CE2 3.31Å; D247-Y260 PolarHBondContact OD2-OH 3.08Å; K258-Y260 HydrophobicContact CB-CD2 4.38Å; K258-Y260 HydrophobicContact CB-CE2 3.63Å; K258-Y260 WeakPolarHBondContact CD-OH 3.08Å; Y260-R377 WeakPolarHBondContact CA-O 3.26Å; Y260-Y378 VanDerWaalsContact CD1-CB 3.44Å; Y260-Y378 HydrophobicContact CD1-CD1 4.28Å; Y260-Y378 HydrophobicContact CD1-CG 4.08Å; Y260-Y378 HydrophobicContact CE1-CD1 4.06Å; Y260-Y378 AromaticContact CE1-CG 3.97Å; Y260-Y378 HydrophobicContact CE1-CG 3.97Å
261Q83.8Confident81.1Confident17 Ų1738.4 Ų38.48%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-118.4117.3165.3-162.7-174.81400108.4Y221 F240 K241 R377Y221-Q261 HydrophobicContact CD1-CB 4.27Å; Y221-Q261 HydrophobicContact CE1-CB 3.73Å; F240-Q261 HydrophobicContact CB-CG 3.92Å; F240-Q261 VanDerWaalsContact CB-NE2 3.31Å; K241-Q261 CarbonylContact O-C 3.55Å; K241-Q261 WeakPolarHBondContact O-CA 3.12Å; Q261-R377 PolarHBondContact N-O 3.25Å; Q261-R377 PolarHBondContact O-N 2.86Å; Q261-R377 VanDerWaalsContact O-O 3.06Å
262R87.2Confident81.3Confident1 Ų135 Ų350%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-97138.9-173.9177.6166.8-159.8169.96.3111.7H185 F240 K241 Y264 G342 F343 P355 E357 S376H185-R262 PolarHBondContact O-NH2 2.85Å; F240-R262 WeakPolarHBondContact CA-O 3.33Å; K241-R262 PolarHBondContact N-O 2.81Å; K241-R262 PolarHBondContact O-N 3.01Å; R262-Y264 HydrophobicContact CB-CD2 4.32Å; R262-Y264 HydrophobicContact CB-CE2 3.67Å; R262-Y264 HydrophobicContact CG-CD2 4.06Å; R262-Y264 HydrophobicContact CG-CE2 3.52Å; R262-Y264 WeakPolarHBondContact O-CD2 3.44Å; R262-G342 PolarHBondContact NH1-O 3.34Å; R262-F343 VanDerWaalsContact NH1-CA 3.34Å; R262-P355 VanDerWaalsContact CZ-CB 3.49Å; R262-E357 IonicContact CZ-OE2 2.79Å; R262-E357 IonicContact NE-OE2 3.97Å; R262-E357 PolarHBondContact NE-OE2 3.11Å; R262-E357 IonicContact NH2-OE2 2.76Å; R262-E357 PolarHBondContact NH2-OE2 3.37Å; R262-S376 WeakPolarHBondContact CA-OG 3.4Å; R262-S376 WeakPolarHBondContact CG-OG 3.44Å
263C87.1Confident81.1Confident1 Ų131.9 Ų31.91%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-77.6133.5172.9179.60000110.3I238 F240 C356I238-C263 VanDerWaalsContact CG2-SG 3.53Å; F240-C263 HydrophobicContact CD1-CB 4.05Å; F240-C263 HydrophobicContact CE1-CB 3.73Å; C263-C356 HydrophobicContact CB-CB 3.61Å; C263-C356 WeakPolarHBondContact CB-SG 3.4Å; C263-C356 PolarHBondContact O-N 2.8Å; C263-C356 PolarHBondContact O-SG 3.14Å; C263-C356 VanDerWaalsContact O-SG 3.35Å; C263-C356 WeakPolarHBondContact SG-CB 3.05Å; C263-C356 CovalentContact SG-SG 2.05Å; C263-C356 PolarHBondContact SG-SG 3.09Å
264Y91.5Very high81Confident0 Ų032.4 Ų32.40%015%0.154CC..EExtended strand (participates in β ladder)trans-133.3141.6175.4-72.4-89.1000112.5I238 T239 K241 R262 Q344 Y346 L353 L354 P355 C356I238-Y264 CarbonylContact C-O 3.6Å; I238-Y264 WeakPolarHBondContact CA-O 3.32Å; T239-Y264 PolarHBondContact N-O 2.05Å; T239-Y264 PolarHBondContact O-N 3.45Å; T239-Y264 PolarHBondContact OG1-O 3.25Å; K241-Y264 HydrophobicContact CB-CD2 3.98Å; K241-Y264 HydrophobicContact CB-CE2 3.85Å; K241-Y264 HydrophobicContact CG-CD2 4.08Å; K241-Y264 HydrophobicContact CG-CE2 4.32Å; R262-Y264 HydrophobicContact CB-CD2 4.32Å; R262-Y264 HydrophobicContact CB-CE2 3.67Å; R262-Y264 HydrophobicContact CG-CD2 4.06Å; R262-Y264 HydrophobicContact CG-CE2 3.52Å; R262-Y264 WeakPolarHBondContact O-CD2 3.44Å; Y264-Q344 PolarHBondContact OH-O 3.35Å; Y264-Y346 HydrophobicContact CE1-CD2 4.05Å; Y264-Y346 HydrophobicContact CE1-CE2 4.33Å; Y264-Y346 HydrophobicContact CE2-CD2 4.3Å; Y264-Y346 AromaticContact CE2-CE2 3.93Å; Y264-Y346 HydrophobicContact CE2-CE2 3.93Å; Y264-Y346 AromaticContact CZ-CD2 3.87Å; Y264-Y346 AromaticContact CZ-CE2 3.68Å; Y264-Y346 WeakPolarHBondContact OH-CE2 3.48Å; Y264-L353 HydrophobicContact CD1-CB 3.73Å; Y264-L353 HydrophobicContact CG-CB 4.04Å; Y264-L354 CarbonylContact C-O 3.57Å; Y264-L354 WeakPolarHBondContact CA-O 2.92Å; Y264-P355 HydrophobicContact CE1-CB 4.44Å; Y264-C356 VanDerWaalsContact C-SG 3.59Å; Y264-C356 PolarHBondContact N-SG 3.39Å
265I90.9Very high80.6Confident0 Ų031 Ų310%015%0.148CC..EExtended strand (participates in β ladder)trans-90.8125.7168.3-58.3169.7000108.8L236 N237 I267 L353 L354 I361L236-I265 HydrophobicContact CB-CG2 4.26Å; L236-I265 HydrophobicContact CD1-CD1 3.91Å; L236-I265 HydrophobicContact CD1-CG1 4.46Å; L236-I265 HydrophobicContact CD1-CG2 4.38Å; L236-I265 HydrophobicContact CD2-CG2 3.85Å; L236-I265 HydrophobicContact CG-CG2 4.4Å; N237-I265 CarbonylContact O-C 3.55Å; N237-I265 WeakPolarHBondContact O-CA 3.1Å; I265-I267 HydrophobicContact CG2-CD1 3.61Å; I265-I267 HydrophobicContact CG2-CG1 4Å; I265-L353 WeakPolarHBondContact O-CA 3.22Å; I265-L354 PolarHBondContact N-O 3.21Å; I265-L354 PolarHBondContact O-N 3.01Å; I265-I361 HydrophobicContact CD1-CD1 3.38Å; I265-I361 HydrophobicContact CD1-CG1 4.05Å; I265-I361 HydrophobicContact CD1-CG2 4.43Å
266K91.3Very high79.9Confident82 Ų8236.7 Ų36.736%0.35717%0.174SC..EExtended strand (participates in β ladder)trans-86.6111.7176.3-175.2179.6-178-177.90110.3N237 T239 Y351 L353N237-K266 HydrophobicContact CB-CB 4.16Å; N237-K266 PolarHBondContact O-N 3.39Å; T239-K266 HydrophobicContact CG2-CB 4.38Å; K266-Y351 HydrophobicContact CD-CD2 4.5Å; K266-Y351 HydrophobicContact CD-CG 4.39Å; K266-Y351 VanDerWaalsContact CE-CD1 3.49Å; K266-Y351 HydrophobicContact CG-CD2 4Å; K266-Y351 HydrophobicContact CG-CG 4.01Å; K266-L353 HydrophobicContact CB-CD2 3.76Å; K266-L353 HydrophobicContact CG-CD2 3.88Å
267I91.2Very high79Confident2 Ų237.7 Ų37.71%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-111.6131.6179.8-59.9-60.5000110L236 I265 L312 R313 Y351 I352 L354L236-I267 HydrophobicContact CD2-CD1 4.4Å; I265-I267 HydrophobicContact CG2-CD1 3.61Å; I265-I267 HydrophobicContact CG2-CG1 4Å; I267-L312 HydrophobicContact CD1-CB 4.06Å; I267-L312 HydrophobicContact CD1-CD1 3.71Å; I267-L312 HydrophobicContact CG1-CB 4.12Å; I267-L312 HydrophobicContact CG1-CD1 4.37Å; I267-R313 HydrophobicContact CG2-CB 4Å; I267-Y351 CarbonylContact O-C 3.53Å; I267-Y351 WeakPolarHBondContact O-CA 3.38Å; I267-Y351 VanDerWaalsContact O-CB 3.26Å; I267-Y351 WeakPolarHBondContact O-CB 3.38Å; I267-I352 HydrophobicContact CB-CG2 4.12Å; I267-I352 HydrophobicContact CG2-CG2 4.47Å; I267-I352 PolarHBondContact N-O 3.05Å; I267-I352 PolarHBondContact O-N 2.77Å; I267-L354 HydrophobicContact CB-CD1 3.91Å; I267-L354 HydrophobicContact CG1-CD1 3.67Å; I267-L354 HydrophobicContact CG1-CD2 4.12Å; I267-L354 HydrophobicContact CG1-CG 4.44Å
268S90.3Very high78.1Confident21 Ų2138.7 Ų38.715%0.14719%0.19CC..EExtended strand (participates in β ladder)trans-76.5139178.7-60.20000111N350S268-N350 CarbonylContact C-O 3.56Å; S268-N350 WeakPolarHBondContact CA-O 3.3Å
269L87.3Confident77Confident6 Ų642.8 Ų42.83%0.03121%0.214CC..SBendtrans-76.8-30.9179.2-64.4-176.6000111.9R313 I320 I347 T348 N350 I352L269-R313 VanDerWaalsContact O-CD 3.3Å; L269-R313 WeakPolarHBondContact O-CD 3.03Å; L269-R313 PolarHBondContact O-NH1 3.2Å; L269-R313 VanDerWaalsContact O-NH1 3.13Å; L269-I320 HydrophobicContact CD2-CD1 3.57Å; L269-I320 HydrophobicContact CD2-CG1 3.67Å; L269-I320 HydrophobicContact CD2-CG2 4.05Å; L269-I347 HydrophobicContact CD1-CD1 4.38Å; L269-I347 HydrophobicContact CD1-CG1 4.28Å; L269-T348 VanDerWaalsContact CD1-O 3.24Å; L269-T348 WeakPolarHBondContact CD1-O 3.24Å; L269-N350 PolarHBondContact N-O 3.34Å; L269-I352 HydrophobicContact CD2-CB 4Å; L269-I352 HydrophobicContact CD2-CG2 3.74Å
270Y82.1Confident75.3Confident96 Ų9646.1 Ų46.138%0.37624%0.239SC..  trans-108.5129.8-178.9-57.6-76.3000110.9S272 E273 Y274 N349Y270-S272 VanDerWaalsContact C-N 3.31Å; Y270-S272 PolarHBondContact O-N 3.31Å; Y270-E273 HydrophobicContact CD2-CG 4.48Å; Y270-E273 WeakPolarHBondContact CD2-OE1 3.27Å; Y270-E273 PolarHBondContact O-N 2.83Å; Y270-Y274 PolarHBondContact O-N 2.94Å; Y270-N349 VanDerWaalsContact CE2-O 3.25Å; Y270-N349 WeakPolarHBondContact CE2-O 3.5Å
271E73.1Confident73.4Confident66 Ų6651.4 Ų51.431%0.30827%0.273SS..Hα-helixtrans-68.7-33.2179.8-170-179144.200111.7Y274 K275 R313E271-Y274 PolarHBondContact O-N 2.71Å; E271-K275 HydrophobicContact CG-CD 4.46Å; E271-K275 WeakPolarHBondContact O-CG 3.08Å; E271-K275 PolarHBondContact O-N 2.77Å; E271-K275 WeakPolarHBondContact OE1-CE 3.22Å; E271-K275 IonicContact OE1-NZ 2.83Å; E271-K275 PolarHBondContact OE1-NZ 3.3Å; E271-R313 IonicContact OE2-NH2 2.94Å
272S67.8Low71.4Confident76 Ų7655.5 Ų55.553%0.53130%0.304SS..Hα-helixtrans-61.2-46.6175.349.60000112.2Y270 Y274 K275 Q276Y270-S272 VanDerWaalsContact C-N 3.31Å; Y270-S272 PolarHBondContact O-N 3.31Å; S272-Y274 VanDerWaalsContact C-N 3.29Å; S272-Y274 PolarHBondContact O-N 3.23Å; S272-K275 PolarHBondContact O-N 3.2Å; S272-Q276 WeakPolarHBondContact O-CG 3.31Å; S272-Q276 PolarHBondContact O-N 2.85Å
273E59.7Low68.7Low57 Ų5763 Ų6327%0.26634%0.344SS..Hα-helixtrans-62.3-39175.8-66.8-179.9-178.700110.8Y270 Q276 T277Y270-E273 HydrophobicContact CD2-CG 4.48Å; Y270-E273 WeakPolarHBondContact CD2-OE1 3.27Å; Y270-E273 PolarHBondContact O-N 2.83Å; E273-Q276 PolarHBondContact O-N 3.03Å; E273-T277 WeakPolarHBondContact O-CG2 3.41Å; E273-T277 PolarHBondContact O-N 3.09Å; E273-T277 VanDerWaalsContact O-N 3.12Å
274Y63.7Low66.2Low14 Ų1469.6 Ų69.66%0.05538%0.38CS..Hα-helixtrans-67-45.2176.9-169-113.6000112.6I235 Y270 E271 S272 Q276 T277 I278 R305 I306 N309I235-Y274 PolarHBondContact O-OH 2.75Å; Y270-Y274 PolarHBondContact O-N 2.94Å; E271-Y274 PolarHBondContact O-N 2.71Å; S272-Y274 VanDerWaalsContact C-N 3.29Å; S272-Y274 PolarHBondContact O-N 3.23Å; Y274-Q276 VanDerWaalsContact C-N 3.25Å; Y274-Q276 PolarHBondContact O-N 2.67Å; Y274-T277 WeakPolarHBondContact CA-OG1 3.08Å; Y274-T277 PolarHBondContact O-N 3.39Å; Y274-T277 PolarHBondContact O-OG1 3.21Å; Y274-I278 HydrophobicContact CD1-CD1 3.85Å; Y274-I278 HydrophobicContact CE1-CD1 3.55Å; Y274-I278 HydrophobicContact CE1-CG1 4.27Å; Y274-I278 PolarHBondContact O-N 3.13Å; Y274-I278 VanDerWaalsContact O-N 3.08Å; Y274-R305 HydrophobicContact CE1-CB 4.38Å; Y274-R305 WeakPolarHBondContact CE1-O 3.29Å; Y274-R305 PolarHBondContact OH-O 2.86Å; Y274-I306 HydrophobicContact CD1-CG1 4.35Å; Y274-I306 HydrophobicContact CE1-CG1 4.31Å; Y274-N309 HydrophobicContact CD1-CB 3.96Å; Y274-N309 WeakPolarHBondContact CD2-ND2 3.46Å; Y274-N309 HydrophobicContact CE1-CB 3.65Å; Y274-N309 HydrophobicContact CE2-CB 4.38Å; Y274-N309 VanDerWaalsContact CE2-ND2 3.26Å; Y274-N309 WeakPolarHBondContact CE2-ND2 3.26Å; Y274-N309 HydrophobicContact CG-CB 4.45Å
275K67.5Low63.3Low90 Ų9076.3 Ų76.339%0.39142%0.415SS..Hα-helixtrans-59.1-36.7175.4-74.5178.8-179.5170.60111.9E271 S272 I278 N279 I306E271-K275 HydrophobicContact CG-CD 4.46Å; E271-K275 WeakPolarHBondContact O-CG 3.08Å; E271-K275 PolarHBondContact O-N 2.77Å; E271-K275 WeakPolarHBondContact OE1-CE 3.22Å; E271-K275 IonicContact OE1-NZ 2.83Å; E271-K275 PolarHBondContact OE1-NZ 3.3Å; S272-K275 PolarHBondContact O-N 3.2Å; K275-I278 PolarHBondContact O-N 3.14Å; K275-N279 PolarHBondContact O-N 2.89Å; K275-N279 VanDerWaalsContact O-N 3.11Å; K275-N279 PolarHBondContact O-OD1 3.11Å; K275-I306 HydrophobicContact CG-CD1 4.24Å
276Q58.4Low60.5Low130 Ų13084.2 Ų84.261%0.60745%0.452SS*.Hα-helixtrans-65.5-37.9173.7-72.2174-1.200112.9S272 E273 Y274 I278 N279 S280S272-Q276 WeakPolarHBondContact O-CG 3.31Å; S272-Q276 PolarHBondContact O-N 2.85Å; E273-Q276 PolarHBondContact O-N 3.03Å; Y274-Q276 VanDerWaalsContact C-N 3.25Å; Y274-Q276 PolarHBondContact O-N 2.67Å; Q276-I278 VanDerWaalsContact C-N 3.31Å; Q276-I278 PolarHBondContact O-N 3.15Å; Q276-N279 PolarHBondContact O-N 3.09Å; Q276-S280 WeakPolarHBondContact O-CB 3.4Å; Q276-S280 PolarHBondContact O-N 2.95Å; Q276-S280 VanDerWaalsContact O-N 3.12Å; Q276-S280 PolarHBondContact O-OG 3.39Å
277T60.4Low57.8Low77 Ų7791.8 Ų91.847%0.47248%0.48SS..Hα-helixtrans-68.7-28.5175.658.50000113.4E273 Y274E273-T277 WeakPolarHBondContact O-CG2 3.41Å; E273-T277 PolarHBondContact O-N 3.09Å; E273-T277 VanDerWaalsContact O-N 3.12Å; Y274-T277 WeakPolarHBondContact CA-OG1 3.08Å; Y274-T277 PolarHBondContact O-N 3.39Å; Y274-T277 PolarHBondContact O-OG1 3.21Å
278I59Low55Low21 Ų2199.5 Ų99.511%0.10852%0.516CS..Hα-helixtrans-71.1-43.8173.5-67.6172.3000110.3Y274 K275 Q276 S280 N302 R305 I306Y274-I278 HydrophobicContact CD1-CD1 3.85Å; Y274-I278 HydrophobicContact CE1-CD1 3.55Å; Y274-I278 HydrophobicContact CE1-CG1 4.27Å; Y274-I278 PolarHBondContact O-N 3.13Å; Y274-I278 VanDerWaalsContact O-N 3.08Å; K275-I278 PolarHBondContact O-N 3.14Å; Q276-I278 VanDerWaalsContact C-N 3.31Å; Q276-I278 PolarHBondContact O-N 3.15Å; I278-S280 VanDerWaalsContact C-N 3.29Å; I278-S280 PolarHBondContact O-N 2.84Å; I278-N302 HydrophobicContact CG2-CB 4.26Å; I278-N302 WeakPolarHBondContact CG2-OD1 3.43Å; I278-R305 HydrophobicContact CD1-CB 4.35Å; I278-I306 HydrophobicContact CD1-CD1 4.17Å; I278-I306 HydrophobicContact CD1-CG1 3.64Å
279N58Low52Low124 Ų124105.9 Ų105.966%0.66354%0.543SS*.Hα-helixtrans-78.4-9.2-176-65.9-1.8000114.1K275 Q276 P281K275-N279 PolarHBondContact O-N 2.89Å; K275-N279 VanDerWaalsContact O-N 3.11Å; K275-N279 PolarHBondContact O-OD1 3.11Å; Q276-N279 PolarHBondContact O-N 3.09Å; N279-P281 WeakPolarHBondContact O-CD 3.42Å
280S47.5Very low49.3Very low82 Ų82113.1 Ų113.157%0.57358%0.576SS**SBendtrans-99.890.1175.6-590000109.3Q276 I278 S282Q276-S280 WeakPolarHBondContact O-CB 3.4Å; Q276-S280 PolarHBondContact O-N 2.95Å; Q276-S280 VanDerWaalsContact O-N 3.12Å; Q276-S280 PolarHBondContact O-OG 3.39Å; I278-S280 VanDerWaalsContact C-N 3.29Å; I278-S280 PolarHBondContact O-N 2.84Å; S280-S282 PolarHBondContact O-N 2.82Å; S280-S282 VanDerWaalsContact O-N 3.14Å
281P44.1Very low46.9Very low116 Ų116114.7 Ų114.775%0.75359%0.591SS**  trans-59.3122.8169.824.1-30.8000107.6N279 N283N279-P281 WeakPolarHBondContact O-CD 3.42Å; P281-N283 PolarHBondContact O-N 2.96Å; P281-N283 VanDerWaalsContact O-N 3.07Å
282S40.9Very low45.4Very low103 Ų103118.5 Ų118.572%0.7261%0.614SS**  trans-53.4121.2172.742.90000108.3S280 N284S280-S282 PolarHBondContact O-N 2.82Å; S280-S282 VanDerWaalsContact O-N 3.14Å; S282-N284 PolarHBondContact O-N 2.93Å
283N31.7Very low44.2Very low158 Ų158121.9 Ų121.985%0.84563%0.626SS**  trans-68.967.6178.9-136.77.1000109.2P281P281-N283 PolarHBondContact O-N 2.96Å; P281-N283 VanDerWaalsContact O-N 3.07Å
284N32.9Very low43.6Very low141 Ų141123.1 Ų123.175%0.75463%0.634SS**  trans-125.382.5175.7-88.5-4.9000108.9S282S282-N284 PolarHBondContact O-N 2.93Å
285N30.6Very low42.9Very low141 Ų141127.7 Ų127.775%0.75466%0.659SS**  trans35.2122.4141.3-65.6-16.9000120.5
286H33.9Very low42.2Very low166 Ų166129.3 Ų129.377%0.76967%0.672SS**  trans64.883.7141.3-87.642.5000117
287Y34.4Very low42.1Very low241 Ų241127.6 Ų127.695%0.94567%0.667SS**  -147.6117.6126.7-103.4-79.7000109.6
288H30.9Very low42.3Very low164 Ų164128.1 Ų128.176%0.75967%0.668SS**  trans-68.5154.8169.9-100.5-86.8000111.4
289H28.7Very low42.8Very low154 Ų154132.3 Ų132.371%0.71369%0.69SS**  trans95.2115.4153.6-81.8-63.1000121.5
290H30.6Very low43.4Very low159 Ų159130.1 Ų130.174%0.73668%0.678SS**  trans64.2107.2143-77.7-57.8000119.7
291N31.4Very low44.6Very low128 Ų128129.7 Ų129.768%0.68467%0.67SS**  -175.6138.484.6-119.1-13000111.3N293N291-N293 VanDerWaalsContact C-N 3.27Å; N291-N293 PolarHBondContact O-N 3.45Å; N291-N293 VanDerWaalsContact O-N 3.13Å
292N40.8Very low46.4Very low147 Ų147126.3 Ų126.379%0.78665%0.645SS**THydrogen-bonded Turntrans-85.930-167-129.111.1000114.5
293N43.3Very low48.3Very low146 Ų146123.5 Ų123.578%0.78162%0.619SS**THydrogen-bonded Turntrans-1145.3-179.8-83.6-3.7000114.2N291N291-N293 VanDerWaalsContact C-N 3.27Å; N291-N293 PolarHBondContact O-N 3.45Å; N291-N293 VanDerWaalsContact O-N 3.13Å
294N47.3Very low50.7Low84 Ų84118.6 Ų118.645%0.44959%0.591SS.*  trans-93.92.4-172-71.67.5000115.4N296 D297 D298N294-N296 PolarHBondContact O-N 3.35Å; N294-D297 PolarHBondContact O-N 2.75Å; N294-D297 VanDerWaalsContact O-N 3.14Å; N294-D298 PolarHBondContact O-N 2.87Å; N294-D298 VanDerWaalsContact O-N 3.09Å
295N48.7Very low53Low109 Ų109113.8 Ų113.858%0.58356%0.562SS**Hα-helixtrans-59.8-34.9-176.6-71.1-6.9000112.8D299N295-D299 PolarHBondContact O-N 3.36Å
296N52.3Low55.6Low124 Ų124108.7 Ų108.766%0.66354%0.535SS*.Hα-helixtrans-70.9-39.6177.8-68.9-9.9000112.2N294 D298 D299 D300N294-N296 PolarHBondContact O-N 3.35Å; N296-D298 VanDerWaalsContact C-N 3.35Å; N296-D299 PolarHBondContact O-N 3.2Å; N296-D300 PolarHBondContact O-N 3.16Å
297D56.7Low58.1Low94 Ų94101.5 Ų101.550%0.50350%0.502SS..Hα-helixtrans-67.6-37.5-179.3-69.2-20.4000111.1N294 N301N294-D297 PolarHBondContact O-N 2.75Å; N294-D297 VanDerWaalsContact O-N 3.14Å; D297-N301 VanDerWaalsContact O-CB 3.26Å; D297-N301 WeakPolarHBondContact O-CB 3.46Å; D297-N301 PolarHBondContact O-N 3.4Å; D297-N301 PolarHBondContact O-ND2 3.19Å
298D63.9Low60.7Low89 Ų8990 Ų9048%0.47646%0.457SS..Hα-helixtrans-67.1-39.9176.6-75.3-26.4000111.9N294 N296 N302N294-D298 PolarHBondContact O-N 2.87Å; N294-D298 VanDerWaalsContact O-N 3.09Å; N296-D298 VanDerWaalsContact C-N 3.35Å; D298-N302 VanDerWaalsContact O-CB 3.28Å; D298-N302 WeakPolarHBondContact O-CB 3.13Å; D298-N302 PolarHBondContact O-N 3.47Å; D298-N302 PolarHBondContact O-ND2 2.87Å; D298-N302 VanDerWaalsContact O-ND2 3.07Å
299D69.9Low63.4Low109 Ų10982.5 Ų82.558%0.58342%0.422SS*.Hα-helixtrans-67.2-43.5177.8-80.5-16.7000112.3N295 N296 N302 Y303N295-D299 PolarHBondContact O-N 3.36Å; N296-D299 PolarHBondContact O-N 3.2Å; D299-N302 PolarHBondContact O-N 2.79Å; D299-Y303 WeakPolarHBondContact O-CB 3.32Å; D299-Y303 PolarHBondContact O-N 3.35Å
300D70.7Confident66.3Low77 Ų7777.4 Ų77.441%0.41240%0.397SS..Hα-helixtrans-67.2-42.7176.6-84.7-28.7000111.6K110 N296 N302 Y303 E304K110-D300 IonicContact NZ-OD1 2.85Å; K110-D300 PolarHBondContact NZ-OD1 3.49Å; N296-D300 PolarHBondContact O-N 3.16Å; D300-N302 VanDerWaalsContact C-N 3.32Å; D300-N302 PolarHBondContact O-N 2.96Å; D300-Y303 WeakPolarHBondContact O-CB 3.39Å; D300-Y303 PolarHBondContact O-N 2.99Å; D300-E304 WeakPolarHBondContact O-CG 3.5Å; D300-E304 PolarHBondContact O-N 2.82Å
301N73.8Confident69.2Low74 Ų7469.8 Ų69.840%0.39636%0.362SS..Hα-helixtrans-59.7-41.7173.2-77.9-42.2000111.7D297 E304 R305D297-N301 VanDerWaalsContact O-CB 3.26Å; D297-N301 WeakPolarHBondContact O-CB 3.46Å; D297-N301 PolarHBondContact O-N 3.4Å; D297-N301 PolarHBondContact O-ND2 3.19Å; N301-E304 PolarHBondContact O-N 2.89Å; N301-R305 WeakPolarHBondContact O-CB 3.04Å; N301-R305 WeakPolarHBondContact O-CD 3.37Å; N301-R305 WeakPolarHBondContact O-CG 3.18Å; N301-R305 PolarHBondContact O-N 3.15Å
302N80.9Confident72.2Confident44 Ų4463.7 Ų63.724%0.23533%0.33CS..Hα-helixtrans-67-38.9178-75.4-28.5000112.4I278 D298 D299 D300 R305 I306I278-N302 HydrophobicContact CG2-CB 4.26Å; I278-N302 WeakPolarHBondContact CG2-OD1 3.43Å; D298-N302 VanDerWaalsContact O-CB 3.28Å; D298-N302 WeakPolarHBondContact O-CB 3.13Å; D298-N302 PolarHBondContact O-N 3.47Å; D298-N302 PolarHBondContact O-ND2 2.87Å; D298-N302 VanDerWaalsContact O-ND2 3.07Å; D299-N302 PolarHBondContact O-N 2.79Å; D300-N302 VanDerWaalsContact C-N 3.32Å; D300-N302 PolarHBondContact O-N 2.96Å; N302-R305 WeakPolarHBondContact O-CB 3.46Å; N302-R305 PolarHBondContact O-N 3.31Å; N302-R305 PolarHBondContact OD1-NH1 3.01Å; N302-R305 VanDerWaalsContact OD1-NH1 3.12Å; N302-I306 WeakPolarHBondContact O-CD1 3.46Å; N302-I306 VanDerWaalsContact O-CG1 3.27Å; N302-I306 WeakPolarHBondContact O-CG1 3.46Å; N302-I306 PolarHBondContact O-N 2.77Å; N302-I306 VanDerWaalsContact O-N 3.08Å
303Y81.6Confident74.6Confident45 Ų4559 Ų5918%0.17630%0.301CS..Hα-helixtrans-60.4-50.1172.8171.3-88.2000111.4K110 D119 D299 D300 R305 I306 E307K110-Y303 HydrophobicContact CD-CD1 4.09Å; K110-Y303 HydrophobicContact CD-CE1 3.84Å; K110-Y303 HydrophobicContact CG-CE1 4.12Å; D119-Y303 PolarHBondContact OD1-OH 3.13Å; D119-Y303 PolarHBondContact OD2-OH 2.73Å; D299-Y303 WeakPolarHBondContact O-CB 3.32Å; D299-Y303 PolarHBondContact O-N 3.35Å; D300-Y303 WeakPolarHBondContact O-CB 3.39Å; D300-Y303 PolarHBondContact O-N 2.99Å; Y303-R305 VanDerWaalsContact C-N 3.29Å; Y303-R305 PolarHBondContact O-N 2.78Å; Y303-I306 PolarHBondContact O-N 3.07Å; Y303-I306 VanDerWaalsContact O-N 3.16Å; Y303-E307 HydrophobicContact CE1-CG 4.13Å; Y303-E307 HydrophobicContact CE2-CG 4.19Å; Y303-E307 PolarHBondContact O-N 3.14Å
304E81.2Confident77Confident55 Ų5554 Ų5426%0.25727%0.274SS..Hα-helixtrans-58.7-41.7178.5-72.9-175.4176.500111.7D300 N301 I306 E307 I308 F365D300-E304 WeakPolarHBondContact O-CG 3.5Å; D300-E304 PolarHBondContact O-N 2.82Å; N301-E304 PolarHBondContact O-N 2.89Å; E304-I306 PolarHBondContact O-N 2.97Å; E304-E307 PolarHBondContact O-N 3Å; E304-I308 WeakPolarHBondContact O-CB 3.46Å; E304-I308 VanDerWaalsContact O-CG1 3.22Å; E304-I308 WeakPolarHBondContact O-CG1 3.49Å; E304-I308 PolarHBondContact O-N 3.45Å; E304-F365 HydrophobicContact CB-CB 4.42Å; E304-F365 HydrophobicContact CG-CB 4.24Å; E304-F365 HydrophobicContact CG-CG 4.37Å
305R81.7Confident79.3Confident40 Ų4050.4 Ų50.415%0.15126%0.255CS..Hα-helixtrans-58.2-47175.5-74.9171.178.2-160.89.1112.5N234 I235 Y274 I278 N301 N302 Y303 N309N234-R305 PolarHBondContact O-NE 2.79Å; N234-R305 PolarHBondContact O-NH2 3.23Å; I235-R305 HydrophobicContact CB-CG 4.08Å; I235-R305 HydrophobicContact CG1-CG 3.85Å; I235-R305 HydrophobicContact CG2-CG 3.98Å; Y274-R305 HydrophobicContact CE1-CB 4.38Å; Y274-R305 WeakPolarHBondContact CE1-O 3.29Å; Y274-R305 PolarHBondContact OH-O 2.86Å; I278-R305 HydrophobicContact CD1-CB 4.35Å; N301-R305 WeakPolarHBondContact O-CB 3.04Å; N301-R305 WeakPolarHBondContact O-CD 3.37Å; N301-R305 WeakPolarHBondContact O-CG 3.18Å; N301-R305 PolarHBondContact O-N 3.15Å; N302-R305 WeakPolarHBondContact O-CB 3.46Å; N302-R305 PolarHBondContact O-N 3.31Å; N302-R305 PolarHBondContact OD1-NH1 3.01Å; N302-R305 VanDerWaalsContact OD1-NH1 3.12Å; Y303-R305 VanDerWaalsContact C-N 3.29Å; Y303-R305 PolarHBondContact O-N 2.78Å; R305-N309 WeakPolarHBondContact O-CB 3.32Å; R305-N309 PolarHBondContact O-N 2.91Å
306I84.7Confident81.5Confident33 Ų3345.2 Ų45.217%0.16923%0.228CC..Hα-helixtrans-64.1-46.2-179.8-68.6164.7000110.3Y274 K275 I278 N302 Y303 E304 N309 K310Y274-I306 HydrophobicContact CD1-CG1 4.35Å; Y274-I306 HydrophobicContact CE1-CG1 4.31Å; K275-I306 HydrophobicContact CG-CD1 4.24Å; I278-I306 HydrophobicContact CD1-CD1 4.17Å; I278-I306 HydrophobicContact CD1-CG1 3.64Å; N302-I306 WeakPolarHBondContact O-CD1 3.46Å; N302-I306 VanDerWaalsContact O-CG1 3.27Å; N302-I306 WeakPolarHBondContact O-CG1 3.46Å; N302-I306 PolarHBondContact O-N 2.77Å; N302-I306 VanDerWaalsContact O-N 3.08Å; Y303-I306 PolarHBondContact O-N 3.07Å; Y303-I306 VanDerWaalsContact O-N 3.16Å; E304-I306 PolarHBondContact O-N 2.97Å; I306-N309 PolarHBondContact O-N 3.22Å; I306-K310 VanDerWaalsContact O-CB 3.31Å; I306-K310 WeakPolarHBondContact O-CB 3.22Å; I306-K310 PolarHBondContact O-N 2.73Å
307E86.8Confident83.5Confident16 Ų1642.4 Ų42.48%0.07521%0.21CC..Hα-helixtrans-68.3-40.7179.4-73.4-58.2118.700112Y303 E304 N309 K310 I311Y303-E307 HydrophobicContact CE1-CG 4.13Å; Y303-E307 HydrophobicContact CE2-CG 4.19Å; Y303-E307 PolarHBondContact O-N 3.14Å; E304-E307 PolarHBondContact O-N 3Å; E307-N309 PolarHBondContact O-N 3.26Å; E307-K310 VanDerWaalsContact CD-NZ 3.35Å; E307-K310 PolarHBondContact O-N 3.45Å; E307-K310 WeakPolarHBondContact OE1-CD 3.44Å; E307-K310 IonicContact OE1-NZ 3.81Å; E307-K310 PolarHBondContact OE1-NZ 3.24Å; E307-K310 IonicContact OE2-NZ 3.13Å; E307-K310 PolarHBondContact OE2-NZ 3.05Å; E307-I311 WeakPolarHBondContact O-CB 3.08Å; E307-I311 WeakPolarHBondContact O-CD1 3.3Å; E307-I311 WeakPolarHBondContact O-CG1 3.27Å; E307-I311 PolarHBondContact O-N 3.43Å
308I87.9Confident85.2Confident0 Ų043.4 Ų43.40%021%0.208CC..Hα-helixtrans-56.5-49.6173.6-75.8169.1000110.9I235 L236 E304 K310 I311 L312 L364 F365 I366I235-I308 HydrophobicContact CG2-CD1 3.66Å; L236-I308 HydrophobicContact CD2-CG2 3.77Å; E304-I308 WeakPolarHBondContact O-CB 3.46Å; E304-I308 VanDerWaalsContact O-CG1 3.22Å; E304-I308 WeakPolarHBondContact O-CG1 3.49Å; E304-I308 PolarHBondContact O-N 3.45Å; I308-K310 VanDerWaalsContact C-N 3.33Å; I308-K310 PolarHBondContact O-N 3.09Å; I308-I311 PolarHBondContact O-N 2.72Å; I308-L312 HydrophobicContact CG2-CD1 3.88Å; I308-L312 HydrophobicContact CG2-CG 4.49Å; I308-L312 WeakPolarHBondContact O-CB 3.46Å; I308-L312 WeakPolarHBondContact O-CG 2.98Å; I308-L312 PolarHBondContact O-N 3.04Å; I308-L364 HydrophobicContact CG1-CB 4.34Å; I308-L364 HydrophobicContact CG2-CD1 4.23Å; I308-F365 HydrophobicContact CD1-CB 4.09Å; I308-F365 HydrophobicContact CG1-CD2 4.48Å; I308-I366 HydrophobicContact CD1-CG1 3.94Å
309N88.1Confident86.6Confident5 Ų539.4 Ų39.43%0.02719%0.186CC..Hα-helixtrans-60.3-45.4179.5-176.9-65.3000111.1Y274 R305 I306 E307 L312 R313Y274-N309 HydrophobicContact CD1-CB 3.96Å; Y274-N309 WeakPolarHBondContact CD2-ND2 3.46Å; Y274-N309 HydrophobicContact CE1-CB 3.65Å; Y274-N309 HydrophobicContact CE2-CB 4.38Å; Y274-N309 VanDerWaalsContact CE2-ND2 3.26Å; Y274-N309 WeakPolarHBondContact CE2-ND2 3.26Å; Y274-N309 HydrophobicContact CG-CB 4.45Å; R305-N309 WeakPolarHBondContact O-CB 3.32Å; R305-N309 PolarHBondContact O-N 2.91Å; I306-N309 PolarHBondContact O-N 3.22Å; E307-N309 PolarHBondContact O-N 3.26Å; N309-L312 PolarHBondContact O-N 3.4Å; N309-R313 WeakPolarHBondContact O-CB 3Å; N309-R313 PolarHBondContact O-N 3.15Å
310K89.8Confident87.7Confident47 Ų4734.8 Ų34.820%0.20416%0.161CC..Hα-helixtrans-61-46.6178177.3-174.4171.5-1620111.9I306 E307 I308 R313 L314I306-K310 VanDerWaalsContact O-CB 3.31Å; I306-K310 WeakPolarHBondContact O-CB 3.22Å; I306-K310 PolarHBondContact O-N 2.73Å; E307-K310 VanDerWaalsContact CD-NZ 3.35Å; E307-K310 PolarHBondContact O-N 3.45Å; E307-K310 WeakPolarHBondContact OE1-CD 3.44Å; E307-K310 IonicContact OE1-NZ 3.81Å; E307-K310 PolarHBondContact OE1-NZ 3.24Å; E307-K310 IonicContact OE2-NZ 3.13Å; E307-K310 PolarHBondContact OE2-NZ 3.05Å; I308-K310 VanDerWaalsContact C-N 3.33Å; I308-K310 PolarHBondContact O-N 3.09Å; K310-R313 PolarHBondContact O-N 3.16Å; K310-L314 HydrophobicContact CG-CD1 4.32Å; K310-L314 WeakPolarHBondContact O-CB 3.41Å; K310-L314 VanDerWaalsContact O-CG 3.27Å; K310-L314 WeakPolarHBondContact O-CG 3.22Å; K310-L314 PolarHBondContact O-N 3.15Å
311I92.7Very high88.7Confident0 Ų035.7 Ų35.70%016%0.162CC..Hα-helixtrans-64.2-47.7179.5-64.1163.5000110.6F67 L120 E307 I308 R313 L314 S315 F360 L364F67-I311 HydrophobicContact CZ-CG2 3.73Å; L120-I311 HydrophobicContact CD2-CD1 3.85Å; E307-I311 WeakPolarHBondContact O-CB 3.08Å; E307-I311 WeakPolarHBondContact O-CD1 3.3Å; E307-I311 WeakPolarHBondContact O-CG1 3.27Å; E307-I311 PolarHBondContact O-N 3.43Å; I308-I311 PolarHBondContact O-N 2.72Å; I311-R313 VanDerWaalsContact C-N 3.32Å; I311-R313 PolarHBondContact O-N 3.02Å; I311-L314 WeakPolarHBondContact O-CB 3.35Å; I311-L314 PolarHBondContact O-N 3.24Å; I311-L314 VanDerWaalsContact O-N 3.15Å; I311-S315 PolarHBondContact O-N 3.12Å; I311-F360 HydrophobicContact CG2-CE1 3.49Å; I311-F360 VanDerWaalsContact CG2-CE1 3.49Å; I311-F360 HydrophobicContact CG2-CZ 3.89Å; I311-L364 HydrophobicContact CB-CD2 4.45Å; I311-L364 HydrophobicContact CD1-CD2 4.16Å; I311-L364 HydrophobicContact CG2-CD2 4.14Å
312L92.9Very high89.5Confident0 Ų033.1 Ų33.10%015%0.148CC..Hα-helixtrans-64.7-35.6177.9-72.8177.5000112.5L236 I267 I308 N309 S315 L354 Y358 I361 L364L236-L312 HydrophobicContact CD2-CD1 4.13Å; I267-L312 HydrophobicContact CD1-CB 4.06Å; I267-L312 HydrophobicContact CD1-CD1 3.71Å; I267-L312 HydrophobicContact CG1-CB 4.12Å; I267-L312 HydrophobicContact CG1-CD1 4.37Å; I308-L312 HydrophobicContact CG2-CD1 3.88Å; I308-L312 HydrophobicContact CG2-CG 4.49Å; I308-L312 WeakPolarHBondContact O-CB 3.46Å; I308-L312 WeakPolarHBondContact O-CG 2.98Å; I308-L312 PolarHBondContact O-N 3.04Å; N309-L312 PolarHBondContact O-N 3.4Å; L312-S315 PolarHBondContact O-N 2.86Å; L312-S315 PolarHBondContact O-OG 3.45Å; L312-L354 HydrophobicContact CB-CD2 3.87Å; L312-L354 HydrophobicContact CD2-CD2 4.08Å; L312-L354 HydrophobicContact CG-CD2 4.45Å; L312-Y358 HydrophobicContact CD2-CD1 4.27Å; L312-Y358 HydrophobicContact CD2-CE1 4.19Å; L312-I361 HydrophobicContact CD2-CG1 4.29Å; L312-L364 HydrophobicContact CD1-CD1 4.02Å; L312-L364 HydrophobicContact CD2-CD1 3.71Å; L312-L364 HydrophobicContact CG-CD1 3.78Å
313R92.6Very high89.9Confident49 Ų4933.7 Ų33.719%0.18515%0.147CC..Hα-helixtrans-64.4-41.8172.4-178.7-176.764.1-175.2-7.4111.2I267 L269 E271 N309 K310 I311 S315 F316 E317 I320I267-R313 HydrophobicContact CG2-CB 4Å; L269-R313 VanDerWaalsContact O-CD 3.3Å; L269-R313 WeakPolarHBondContact O-CD 3.03Å; L269-R313 PolarHBondContact O-NH1 3.2Å; L269-R313 VanDerWaalsContact O-NH1 3.13Å; E271-R313 IonicContact OE2-NH2 2.94Å; N309-R313 WeakPolarHBondContact O-CB 3Å; N309-R313 PolarHBondContact O-N 3.15Å; K310-R313 PolarHBondContact O-N 3.16Å; I311-R313 VanDerWaalsContact C-N 3.32Å; I311-R313 PolarHBondContact O-N 3.02Å; R313-S315 VanDerWaalsContact C-N 3.34Å; R313-F316 CarbonylContact O-C 3.32Å; R313-F316 PolarHBondContact O-N 3.09Å; R313-E317 PolarHBondContact O-N 3.01Å; R313-I320 HydrophobicContact CG-CD1 3.76Å
314L93.3Very high90.2Very high41 Ų4136 Ų3622%0.21516%0.158CC..Hα-helixtrans-64.9-36.1178.4-75.1170.7000112.2F67 K310 I311 F316 E317F67-L314 HydrophobicContact CE2-CB 3.99Å; K310-L314 HydrophobicContact CG-CD1 4.32Å; K310-L314 WeakPolarHBondContact O-CB 3.41Å; K310-L314 VanDerWaalsContact O-CG 3.27Å; K310-L314 WeakPolarHBondContact O-CG 3.22Å; K310-L314 PolarHBondContact O-N 3.15Å; I311-L314 WeakPolarHBondContact O-CB 3.35Å; I311-L314 PolarHBondContact O-N 3.24Å; I311-L314 VanDerWaalsContact O-N 3.15Å; L314-F316 PolarHBondContact O-N 3.1Å; L314-E317 VanDerWaalsContact O-CB 3.28Å; L314-E317 WeakPolarHBondContact O-CB 3.16Å; L314-E317 PolarHBondContact O-N 3.28Å; L314-E317 VanDerWaalsContact O-N 3.1Å
315S95Very high90.5Very high7 Ų738 Ų385%0.04917%0.17CC..Hα-helixtrans-64.6-23.8179.167.20000114.1F67 I311 L312 R313F67-S315 VanDerWaalsContact CD1-CB 3.46Å; F67-S315 VanDerWaalsContact CG-CA 3.48Å; I311-S315 PolarHBondContact O-N 3.12Å; L312-S315 PolarHBondContact O-N 2.86Å; L312-S315 PolarHBondContact O-OG 3.45Å; R313-S315 VanDerWaalsContact C-N 3.34Å
316F95.3Very high90.4Very high1 Ų145 Ų450%0.00420%0.201CC..THydrogen-bonded Turntrans-110.918.3174.6-68.6-102.1000113.1L69 I184 R313 L314 Y318 F319 I320 F343 I352 L354 Y358L69-F316 HydrophobicContact CD1-CD1 4.47Å; L69-F316 HydrophobicContact CD1-CE1 4.22Å; L69-F316 HydrophobicContact CD1-CZ 4.32Å; I184-F316 HydrophobicContact CD1-CE1 3.85Å; I184-F316 HydrophobicContact CD1-CZ 3.63Å; R313-F316 CarbonylContact O-C 3.32Å; R313-F316 PolarHBondContact O-N 3.09Å; L314-F316 PolarHBondContact O-N 3.1Å; F316-Y318 PolarHBondContact O-N 3.03Å; F316-Y318 VanDerWaalsContact O-N 3.12Å; F316-F319 HydrophobicContact CB-CD2 4.1Å; F316-F319 AromaticContact CD1-CD2 3.57Å; F316-F319 HydrophobicContact CD1-CD2 3.57Å; F316-F319 AromaticContact CD1-CE2 3.8Å; F316-F319 HydrophobicContact CD1-CE2 3.8Å; F316-F319 HydrophobicContact CE1-CD2 4.47Å; F316-F319 HydrophobicContact CE1-CE2 4.3Å; F316-F319 HydrophobicContact CG-CD2 4.25Å; F316-F319 PolarHBondContact O-N 3.15Å; F316-I320 WeakPolarHBondContact O-CG1 3.46Å; F316-I320 PolarHBondContact O-N 2.71Å; F316-I320 VanDerWaalsContact O-N 3.17Å; F316-F343 HydrophobicContact CD1-CZ 4.08Å; F316-F343 AromaticContact CE1-CE1 3.98Å; F316-F343 HydrophobicContact CE1-CE1 3.98Å; F316-F343 HydrophobicContact CE1-CE2 4.17Å; F316-F343 AromaticContact CE1-CZ 3.54Å; F316-F343 HydrophobicContact CE1-CZ 3.54Å; F316-I352 HydrophobicContact CB-CD1 3.84Å; F316-I352 HydrophobicContact CG-CD1 4.42Å; F316-L354 HydrophobicContact CD2-CD1 4.44Å; F316-L354 HydrophobicContact CD2-CD2 3.47Å; F316-L354 VanDerWaalsContact CD2-CD2 3.47Å; F316-L354 HydrophobicContact CD2-CG 3.62Å; F316-L354 HydrophobicContact CE2-CB 4.37Å; F316-L354 HydrophobicContact CE2-CD2 3.48Å; F316-L354 VanDerWaalsContact CE2-CD2 3.48Å; F316-L354 HydrophobicContact CE2-CG 3.62Å; F316-L354 HydrophobicContact CG-CD2 4.44Å; F316-L354 HydrophobicContact CG-CG 4.19Å; F316-L354 HydrophobicContact CZ-CD2 4.43Å; F316-L354 HydrophobicContact CZ-CG 4.15Å; F316-Y358 HydrophobicContact CE2-CD1 4.15Å; F316-Y358 HydrophobicContact CE2-CE1 4.11Å
317E93Very high90.4Very high64 Ų6448.7 Ų48.730%0.29922%0.221SC..Hα-helixtrans-55.6-35.4-177.3-165.7-163.7-169.200112.1R313 L314 F319 I320 K321R313-E317 PolarHBondContact O-N 3.01Å; L314-E317 VanDerWaalsContact O-CB 3.28Å; L314-E317 WeakPolarHBondContact O-CB 3.16Å; L314-E317 PolarHBondContact O-N 3.28Å; L314-E317 VanDerWaalsContact O-N 3.1Å; E317-F319 PolarHBondContact O-N 3.03Å; E317-I320 PolarHBondContact O-N 2.92Å; E317-K321 HydrophobicContact CG-CD 4.2Å; E317-K321 HydrophobicContact CG-CG 4.41Å; E317-K321 WeakPolarHBondContact O-CB 3.38Å; E317-K321 WeakPolarHBondContact O-CG 3.5Å; E317-K321 PolarHBondContact O-N 2.97Å; E317-K321 WeakPolarHBondContact OE1-CE 3.31Å; E317-K321 IonicContact OE1-NZ 2.75Å; E317-K321 PolarHBondContact OE1-NZ 3.32Å; E317-K321 IonicContact OE2-NZ 2.83Å; E317-K321 PolarHBondContact OE2-NZ 2.96Å
318Y93.2Very high90Very high116 Ų11656.1 Ų56.146%0.45526%0.261SS..Hα-helixtrans-57-47.9175.9177-99.8000112.4F316 K321 L322 K337F316-Y318 PolarHBondContact O-N 3.03Å; F316-Y318 VanDerWaalsContact O-N 3.12Å; Y318-K321 PolarHBondContact O-N 3.36Å; Y318-L322 HydrophobicContact CD1-CD1 4.04Å; Y318-L322 HydrophobicContact CE1-CD1 3.36Å; Y318-L322 HydrophobicContact CE1-CG 4.24Å; Y318-L322 HydrophobicContact CE2-CD1 4.25Å; Y318-L322 HydrophobicContact CE2-CG 4.43Å; Y318-L322 VanDerWaalsContact CZ-CD1 3.49Å; Y318-L322 WeakPolarHBondContact O-CG 3.42Å; Y318-L322 PolarHBondContact O-N 3.15Å; Y318-K337 HydrophobicContact CE1-CG 4.26Å
319F94.3Very high89.9Confident4 Ų458.1 Ų58.12%0.01828%0.282CS..Hα-helixtrans-65.8-40.7178.3-63.5-77.3000111.4L69 F316 E317 L322 Y323 A334 K337 A338 L341 F343 L345 I352L69-F319 HydrophobicContact CD1-CE2 4.24Å; F316-F319 HydrophobicContact CB-CD2 4.1Å; F316-F319 AromaticContact CD1-CD2 3.57Å; F316-F319 HydrophobicContact CD1-CD2 3.57Å; F316-F319 AromaticContact CD1-CE2 3.8Å; F316-F319 HydrophobicContact CD1-CE2 3.8Å; F316-F319 HydrophobicContact CE1-CD2 4.47Å; F316-F319 HydrophobicContact CE1-CE2 4.3Å; F316-F319 HydrophobicContact CG-CD2 4.25Å; F316-F319 PolarHBondContact O-N 3.15Å; E317-F319 PolarHBondContact O-N 3.03Å; F319-L322 PolarHBondContact O-N 3.43Å; F319-Y323 WeakPolarHBondContact O-CB 3.41Å; F319-Y323 PolarHBondContact O-N 3.49Å; F319-A334 HydrophobicContact CD1-CB 4.13Å; F319-A334 WeakPolarHBondContact CE1-O 3.44Å; F319-K337 HydrophobicContact CE1-CB 3.94Å; F319-K337 HydrophobicContact CE1-CG 4.03Å; F319-K337 HydrophobicContact CZ-CB 4.42Å; F319-K337 HydrophobicContact CZ-CG 4.03Å; F319-A338 HydrophobicContact CE1-CB 3.92Å; F319-A338 HydrophobicContact CZ-CB 4.43Å; F319-L341 HydrophobicContact CE2-CD1 4.11Å; F319-L341 HydrophobicContact CZ-CD1 3.73Å; F319-F343 HydrophobicContact CE2-CZ 4.25Å; F319-F343 HydrophobicContact CZ-CZ 4.17Å; F319-L345 HydrophobicContact CB-CD1 4.24Å; F319-L345 HydrophobicContact CD1-CD1 4.38Å; F319-L345 HydrophobicContact CD1-CD2 4.28Å; F319-L345 HydrophobicContact CG-CD1 4.4Å; F319-I352 HydrophobicContact CB-CD1 4.47Å
320I92.5Very high89.9Confident12 Ų1258.4 Ų58.46%0.06228%0.284CS..Hα-helixtrans-63-43.5178-61.5167.4000110.6L269 R313 F316 E317 Y323 K324 I347 I352L269-I320 HydrophobicContact CD2-CD1 3.57Å; L269-I320 HydrophobicContact CD2-CG1 3.67Å; L269-I320 HydrophobicContact CD2-CG2 4.05Å; R313-I320 HydrophobicContact CG-CD1 3.76Å; F316-I320 WeakPolarHBondContact O-CG1 3.46Å; F316-I320 PolarHBondContact O-N 2.71Å; F316-I320 VanDerWaalsContact O-N 3.17Å; E317-I320 PolarHBondContact O-N 2.92Å; I320-Y323 PolarHBondContact O-N 3.17Å; I320-K324 HydrophobicContact CG2-CD 4.08Å; I320-K324 WeakPolarHBondContact O-CB 3.48Å; I320-K324 WeakPolarHBondContact O-CG 3.45Å; I320-K324 PolarHBondContact O-N 3.01Å; I320-I347 HydrophobicContact CB-CD1 4.47Å; I320-I347 HydrophobicContact CG1-CD1 4.08Å; I320-I352 HydrophobicContact CD1-CG2 4.39Å; I320-I352 HydrophobicContact CG1-CD1 4.12Å
321K92.2Very high89.8Confident97 Ų9761 Ų6142%0.42229%0.293SS..Hα-helixtrans-62.8-49.6176.5-78.9172.9177159.80111.5E317 Y318 Y323 K324 L325E317-K321 HydrophobicContact CG-CD 4.2Å; E317-K321 HydrophobicContact CG-CG 4.41Å; E317-K321 WeakPolarHBondContact O-CB 3.38Å; E317-K321 WeakPolarHBondContact O-CG 3.5Å; E317-K321 PolarHBondContact O-N 2.97Å; E317-K321 WeakPolarHBondContact OE1-CE 3.31Å; E317-K321 IonicContact OE1-NZ 2.75Å; E317-K321 PolarHBondContact OE1-NZ 3.32Å; E317-K321 IonicContact OE2-NZ 2.83Å; E317-K321 PolarHBondContact OE2-NZ 2.96Å; Y318-K321 PolarHBondContact O-N 3.36Å; K321-Y323 VanDerWaalsContact C-N 3.31Å; K321-Y323 PolarHBondContact O-N 3.24Å; K321-K324 PolarHBondContact O-N 3.12Å; K321-L325 VanDerWaalsContact O-CG 3.28Å; K321-L325 WeakPolarHBondContact O-CG 3.49Å; K321-L325 PolarHBondContact O-N 2.73Å
322L90.4Very high89.7Confident19 Ų1967 Ų6710%0.09932%0.321CS..Hα-helixtrans-58-43.9177.6-76-177.6000112.1Y318 F319 L325 S330 L333 A334Y318-L322 HydrophobicContact CD1-CD1 4.04Å; Y318-L322 HydrophobicContact CE1-CD1 3.36Å; Y318-L322 HydrophobicContact CE1-CG 4.24Å; Y318-L322 HydrophobicContact CE2-CD1 4.25Å; Y318-L322 HydrophobicContact CE2-CG 4.43Å; Y318-L322 VanDerWaalsContact CZ-CD1 3.49Å; Y318-L322 WeakPolarHBondContact O-CG 3.42Å; Y318-L322 PolarHBondContact O-N 3.15Å; F319-L322 PolarHBondContact O-N 3.43Å; L322-L325 HydrophobicContact CD2-CD1 4.34Å; L322-L325 PolarHBondContact O-N 2.86Å; L322-S330 WeakPolarHBondContact O-CB 3.4Å; L322-S330 PolarHBondContact O-OG 2.88Å; L322-L333 HydrophobicContact CD1-CD2 4.16Å; L322-L333 HydrophobicContact CD1-CG 4.21Å; L322-L333 HydrophobicContact CD2-CD2 4.26Å; L322-A334 HydrophobicContact CB-CB 3.98Å; L322-A334 HydrophobicContact CD1-CB 3.87Å
323Y88.8Confident89.5Confident56 Ų5671.2 Ų71.222%0.2234%0.344CS..Hα-helixtrans-60.9-45175.8179.1-106.6000112.3F319 I320 K321 L325 Y331 I347 N349F319-Y323 WeakPolarHBondContact O-CB 3.41Å; F319-Y323 PolarHBondContact O-N 3.49Å; I320-Y323 PolarHBondContact O-N 3.17Å; K321-Y323 VanDerWaalsContact C-N 3.31Å; K321-Y323 PolarHBondContact O-N 3.24Å; Y323-L325 PolarHBondContact O-N 3.44Å; Y323-Y331 AromaticContact CD2-CD2 3.63Å; Y323-Y331 HydrophobicContact CD2-CD2 3.63Å; Y323-Y331 AromaticContact CD2-CE2 3.75Å; Y323-Y331 HydrophobicContact CD2-CE2 3.75Å; Y323-Y331 HydrophobicContact CE2-CD2 4.25Å; Y323-Y331 HydrophobicContact CE2-CE2 4.07Å; Y323-I347 HydrophobicContact CD1-CD1 3.75Å; Y323-I347 HydrophobicContact CD1-CG1 3.85Å; Y323-I347 HydrophobicContact CD1-CG2 4.36Å; Y323-I347 HydrophobicContact CD2-CG1 4.48Å; Y323-I347 HydrophobicContact CD2-CG2 3.46Å; Y323-I347 VanDerWaalsContact CD2-CG2 3.46Å; Y323-I347 HydrophobicContact CE1-CG1 4.12Å; Y323-I347 HydrophobicContact CE2-CG2 3.77Å; Y323-I347 HydrophobicContact CG-CD1 3.79Å; Y323-I347 HydrophobicContact CG-CG1 4.04Å; Y323-I347 HydrophobicContact CG-CG2 3.78Å; Y323-N349 PolarHBondContact OH-OD1 3.11Å
324K88.5Confident89.5Confident94 Ų9468.9 Ų68.941%0.40934%0.335SS..Hα-helixtrans-70.8-26.8-179.6-75.6-178.4176.9-177.50114I320 K321 K326I320-K324 HydrophobicContact CG2-CD 4.08Å; I320-K324 WeakPolarHBondContact O-CB 3.48Å; I320-K324 WeakPolarHBondContact O-CG 3.45Å; I320-K324 PolarHBondContact O-N 3.01Å; K321-K324 PolarHBondContact O-N 3.12Å; K324-K326 PolarHBondContact O-N 3.2Å
325L87Confident89.3Confident98 Ų9869 Ų6951%0.51334%0.335SS..Hα-helixtrans-61.1-24-179.3-81.6170000112.7K321 L322 Y323 L327K321-L325 VanDerWaalsContact O-CG 3.28Å; K321-L325 WeakPolarHBondContact O-CG 3.49Å; K321-L325 PolarHBondContact O-N 2.73Å; L322-L325 HydrophobicContact CD2-CD1 4.34Å; L322-L325 PolarHBondContact O-N 2.86Å; Y323-L325 PolarHBondContact O-N 3.44Å; L325-L327 HydrophobicContact CB-CD1 4.22Å; L325-L327 HydrophobicContact CB-CG 4.18Å; L325-L327 HydrophobicContact CD1-CD1 4.47Å; L325-L327 HydrophobicContact CD2-CD1 4.43Å; L325-L327 PolarHBondContact O-N 3.01Å
326K79.3Confident89.1Confident185 Ų18572.6 Ų72.680%0.80435%0.354SS*.  trans48.423.2-179.1-63.4-174.7-179.7-177.90113.9K324K324-K326 PolarHBondContact O-N 3.2Å
327L84.3Confident89Confident112 Ų11276.8 Ų76.859%0.58637%0.372SS*.  trans-79.4146.9175-66.9172.5000109.3L325 G329 S330L325-L327 HydrophobicContact CB-CD1 4.22Å; L325-L327 HydrophobicContact CB-CG 4.18Å; L325-L327 HydrophobicContact CD1-CD1 4.47Å; L325-L327 HydrophobicContact CD2-CD1 4.43Å; L325-L327 PolarHBondContact O-N 3.01Å; L327-G329 PolarHBondContact O-N 3.44Å; L327-S330 PolarHBondContact N-OG 3.08Å; L327-S330 WeakPolarHBondContact O-CB 3.43Å; L327-S330 PolarHBondContact O-N 3.08Å; L327-S330 PolarHBondContact O-OG 3.21Å
328N79.8Confident89Confident172 Ų17273.7 Ų73.792%0.9236%0.358SS*.THydrogen-bonded Turntrans-54.1127.9175.6-71.9-9.2000110.5S330N328-S330 PolarHBondContact O-N 2.61Å
329G84.7Confident88.8Confident42 Ų4273.6 Ų73.643%0.43336%0.36SS..THydrogen-bonded Turntrans77.7-11.7-179.700000116.2L327 Y331 E332 L333L327-G329 PolarHBondContact O-N 3.44Å; G329-Y331 VanDerWaalsContact C-N 3.33Å; G329-Y331 PolarHBondContact O-N 3Å; G329-E332 PolarHBondContact O-N 3.5Å; G329-L333 WeakPolarHBondContact O-CB 3.41Å; G329-L333 PolarHBondContact O-N 3.39Å
330S88.5Confident88.6Confident11 Ų1179.2 Ų79.28%0.07738%0.382CS..Hα-helixtrans-61.6-40.2179.359.50000112.9L322 L327 N328 A334L322-S330 WeakPolarHBondContact O-CB 3.4Å; L322-S330 PolarHBondContact O-OG 2.88Å; L327-S330 PolarHBondContact N-OG 3.08Å; L327-S330 WeakPolarHBondContact O-CB 3.43Å; L327-S330 PolarHBondContact O-N 3.08Å; L327-S330 PolarHBondContact O-OG 3.21Å; N328-S330 PolarHBondContact O-N 2.61Å; S330-A334 PolarHBondContact O-N 3.23Å
331Y88.7Confident88.6Confident100 Ų10078.8 Ų78.839%0.39238%0.379SS..Hα-helixtrans-68.4-40.4175.1-178.2-122.7000112.5Y323 G329 L333 A334 I335 L345 I347Y323-Y331 AromaticContact CD2-CD2 3.63Å; Y323-Y331 HydrophobicContact CD2-CD2 3.63Å; Y323-Y331 AromaticContact CD2-CE2 3.75Å; Y323-Y331 HydrophobicContact CD2-CE2 3.75Å; Y323-Y331 HydrophobicContact CE2-CD2 4.25Å; Y323-Y331 HydrophobicContact CE2-CE2 4.07Å; G329-Y331 VanDerWaalsContact C-N 3.33Å; G329-Y331 PolarHBondContact O-N 3Å; Y331-L333 VanDerWaalsContact C-N 3.34Å; Y331-L333 PolarHBondContact O-N 3.39Å; Y331-A334 WeakPolarHBondContact O-CB 3.42Å; Y331-A334 PolarHBondContact O-N 3.21Å; Y331-I335 HydrophobicContact CD1-CD1 3.81Å; Y331-I335 HydrophobicContact CE1-CD1 3.4Å; Y331-I335 VanDerWaalsContact CE1-CD1 3.4Å; Y331-I335 HydrophobicContact CE1-CG1 4.33Å; Y331-I335 HydrophobicContact CE2-CD1 4.21Å; Y331-I335 HydrophobicContact CE2-CG1 4.28Å; Y331-I335 HydrophobicContact CG-CD1 4.38Å; Y331-I335 WeakPolarHBondContact O-CG1 3.46Å; Y331-I335 PolarHBondContact O-N 3.41Å; Y331-L345 HydrophobicContact CE2-CD2 4.38Å; Y331-I347 HydrophobicContact CE2-CG2 3.88Å
332E88.6Confident88.4Confident126 Ų12674.9 Ų74.959%0.58937%0.367SS*.Hα-helixtrans-64.7-39.9176.2-171.9177.7176.800111.5G329 A334 I335 N336G329-E332 PolarHBondContact O-N 3.5Å; E332-A334 VanDerWaalsContact C-N 3.32Å; E332-A334 PolarHBondContact O-N 3.41Å; E332-I335 PolarHBondContact O-N 3.2Å; E332-N336 WeakPolarHBondContact O-CB 3.41Å; E332-N336 VanDerWaalsContact O-CG 3.27Å; E332-N336 PolarHBondContact O-N 3Å; E332-N336 PolarHBondContact O-ND2 2.87Å
333L89.2Confident88.4Confident89 Ų8974.3 Ų74.347%0.46636%0.364SS..Hα-helixtrans-59.2-43.3171.9-179.665.2000111.5L322 G329 Y331 N336 K337L322-L333 HydrophobicContact CD1-CD2 4.16Å; L322-L333 HydrophobicContact CD1-CG 4.21Å; L322-L333 HydrophobicContact CD2-CD2 4.26Å; G329-L333 WeakPolarHBondContact O-CB 3.41Å; G329-L333 PolarHBondContact O-N 3.39Å; Y331-L333 VanDerWaalsContact C-N 3.34Å; Y331-L333 PolarHBondContact O-N 3.39Å; L333-N336 PolarHBondContact O-N 2.86Å; L333-K337 WeakPolarHBondContact O-CB 3.39Å; L333-K337 PolarHBondContact O-N 3.39Å
334A92.1Very high88.5Confident0 Ų074.8 Ų74.80%037%0.368CS..Hα-helixtrans-61.8-44.717600000111.6F319 L322 S330 Y331 E332 K337 A338 L345F319-A334 HydrophobicContact CD1-CB 4.13Å; F319-A334 WeakPolarHBondContact CE1-O 3.44Å; L322-A334 HydrophobicContact CB-CB 3.98Å; L322-A334 HydrophobicContact CD1-CB 3.87Å; S330-A334 PolarHBondContact O-N 3.23Å; Y331-A334 WeakPolarHBondContact O-CB 3.42Å; Y331-A334 PolarHBondContact O-N 3.21Å; E332-A334 VanDerWaalsContact C-N 3.32Å; E332-A334 PolarHBondContact O-N 3.41Å; A334-K337 PolarHBondContact O-N 2.74Å; A334-A338 WeakPolarHBondContact O-CB 3.41Å; A334-A338 PolarHBondContact O-N 2.8Å; A334-L345 HydrophobicContact CB-CD2 3.7Å
335I90.7Very high88.6Confident43 Ų4370.7 Ų70.722%0.22135%0.351CS..Hα-helixtrans-60.7-48.4175.4-70.4167.3000110.9Y331 E332 K337 A338 K339 L345Y331-I335 HydrophobicContact CD1-CD1 3.81Å; Y331-I335 HydrophobicContact CE1-CD1 3.4Å; Y331-I335 VanDerWaalsContact CE1-CD1 3.4Å; Y331-I335 HydrophobicContact CE1-CG1 4.33Å; Y331-I335 HydrophobicContact CE2-CD1 4.21Å; Y331-I335 HydrophobicContact CE2-CG1 4.28Å; Y331-I335 HydrophobicContact CG-CD1 4.38Å; Y331-I335 WeakPolarHBondContact O-CG1 3.46Å; Y331-I335 PolarHBondContact O-N 3.41Å; E332-I335 PolarHBondContact O-N 3.2Å; I335-K337 VanDerWaalsContact C-N 3.33Å; I335-K337 PolarHBondContact O-N 3.17Å; I335-A338 PolarHBondContact O-N 2.95Å; I335-K339 HydrophobicContact CG2-CD 4.23Å; I335-K339 HydrophobicContact CG2-CG 4.4Å; I335-K339 WeakPolarHBondContact O-CG 3.26Å; I335-K339 PolarHBondContact O-N 3.45Å; I335-L345 HydrophobicContact CG1-CD2 4.41Å
336N90.2Very high88.9Confident83 Ų8368.3 Ų68.344%0.44434%0.335SS..Hα-helixtrans-64.2-39.2-178.1-71.9-20.8000111.6E332 L333 K339 Y340E332-N336 WeakPolarHBondContact O-CB 3.41Å; E332-N336 VanDerWaalsContact O-CG 3.27Å; E332-N336 PolarHBondContact O-N 3Å; E332-N336 PolarHBondContact O-ND2 2.87Å; L333-N336 PolarHBondContact O-N 2.86Å; N336-K339 PolarHBondContact O-N 3.01Å; N336-Y340 WeakPolarHBondContact O-CB 3.5Å; N336-Y340 PolarHBondContact O-N 3.39Å
337K92.6Very high89.5Confident89 Ų8960 Ų6039%0.38730%0.3SS..Hα-helixtrans-67.6-38.6175.3-172.265.9176.21800112.1Y318 F319 L333 A334 I335 Y340 L341Y318-K337 HydrophobicContact CE1-CG 4.26Å; F319-K337 HydrophobicContact CE1-CB 3.94Å; F319-K337 HydrophobicContact CE1-CG 4.03Å; F319-K337 HydrophobicContact CZ-CB 4.42Å; F319-K337 HydrophobicContact CZ-CG 4.03Å; L333-K337 WeakPolarHBondContact O-CB 3.39Å; L333-K337 PolarHBondContact O-N 3.39Å; A334-K337 PolarHBondContact O-N 2.74Å; I335-K337 VanDerWaalsContact C-N 3.33Å; I335-K337 PolarHBondContact O-N 3.17Å; K337-Y340 WeakPolarHBondContact O-CB 3.48Å; K337-Y340 PolarHBondContact O-N 3.48Å; K337-L341 WeakPolarHBondContact O-CG 3.47Å; K337-L341 PolarHBondContact O-N 3.45Å
338A92.9Very high89.8Confident0 Ų056.8 Ų56.80%028%0.284CS..Hα-helixtrans-65-44.2174.500000111.8F319 A334 I335 Y340 L341 G342 F343 L345F319-A338 HydrophobicContact CE1-CB 3.92Å; F319-A338 HydrophobicContact CZ-CB 4.43Å; A334-A338 WeakPolarHBondContact O-CB 3.41Å; A334-A338 PolarHBondContact O-N 2.8Å; I335-A338 PolarHBondContact O-N 2.95Å; A338-Y340 VanDerWaalsContact C-N 3.3Å; A338-Y340 PolarHBondContact O-N 3.29Å; A338-L341 CarbonylContact O-C 3.49Å; A338-L341 WeakPolarHBondContact O-CA 3.37Å; A338-L341 PolarHBondContact O-N 3.33Å; A338-G342 PolarHBondContact O-N 3.07Å; A338-G342 VanDerWaalsContact O-N 3.12Å; A338-F343 CarbonylContact C-O 3.58Å; A338-F343 HydrophobicContact CB-CD1 4.36Å; A338-F343 HydrophobicContact CB-CD2 4.21Å; A338-F343 HydrophobicContact CB-CE1 3.88Å; A338-F343 HydrophobicContact CB-CE2 3.68Å; A338-F343 HydrophobicContact CB-CZ 3.48Å; A338-F343 VanDerWaalsContact CB-CZ 3.48Å; A338-F343 WeakPolarHBondContact O-CD1 3.44Å; A338-F343 PolarHBondContact O-N 3.34Å; A338-L345 HydrophobicContact CB-CB 3.73Å
339K89.9Confident90.1Very high113 Ų11353.7 Ų53.749%0.49127%0.268SS..Hα-helixtrans-58.2-42.8173.4-75.3-174.4177-1660111.4I335 N336 L341 G342 F343I335-K339 HydrophobicContact CG2-CD 4.23Å; I335-K339 HydrophobicContact CG2-CG 4.4Å; I335-K339 WeakPolarHBondContact O-CG 3.26Å; I335-K339 PolarHBondContact O-N 3.45Å; N336-K339 PolarHBondContact O-N 3.01Å; K339-L341 VanDerWaalsContact C-N 3.3Å; K339-L341 PolarHBondContact O-N 3.21Å; K339-G342 WeakPolarHBondContact O-CA 3.42Å; K339-G342 PolarHBondContact O-N 3.34Å; K339-F343 PolarHBondContact N-O 3.43Å
340Y90.1Very high90.4Very high123 Ų12355.5 Ų55.548%0.48227%0.267SS..Hα-helixtrans-60.9-37.4174.1174.2-96.8000112.5N71 N336 K337 A338 G342N71-Y340 PolarHBondContact ND2-O 3.11Å; N336-Y340 WeakPolarHBondContact O-CB 3.5Å; N336-Y340 PolarHBondContact O-N 3.39Å; K337-Y340 WeakPolarHBondContact O-CB 3.48Å; K337-Y340 PolarHBondContact O-N 3.48Å; A338-Y340 VanDerWaalsContact C-N 3.3Å; A338-Y340 PolarHBondContact O-N 3.29Å; Y340-G342 PolarHBondContact O-N 2.78Å
341L91.6Very high90.5Very high2 Ų258 Ų581%0.0128%0.276CS..THydrogen-bonded Turntrans-76.1-0.1173.2-67.8176.7000113.6L69 I184 F319 K337 A338 K339 F343L69-L341 HydrophobicContact CB-CD1 3.91Å; L69-L341 HydrophobicContact CB-CD2 4.15Å; L69-L341 HydrophobicContact CD1-CD1 4.08Å; L69-L341 WeakPolarHBondContact O-CD2 3.48Å; I184-L341 HydrophobicContact CD1-CB 4.31Å; I184-L341 HydrophobicContact CD1-CD1 4.21Å; F319-L341 HydrophobicContact CE2-CD1 4.11Å; F319-L341 HydrophobicContact CZ-CD1 3.73Å; K337-L341 WeakPolarHBondContact O-CG 3.47Å; K337-L341 PolarHBondContact O-N 3.45Å; A338-L341 CarbonylContact O-C 3.49Å; A338-L341 WeakPolarHBondContact O-CA 3.37Å; A338-L341 PolarHBondContact O-N 3.33Å; K339-L341 VanDerWaalsContact C-N 3.3Å; K339-L341 PolarHBondContact O-N 3.21Å; L341-F343 HydrophobicContact CB-CD1 3.9Å; L341-F343 HydrophobicContact CB-CE1 3.74Å; L341-F343 HydrophobicContact CD1-CE1 4.03Å
342G88.3Confident90.8Very high16 Ų1653.3 Ų53.317%0.16526%0.257CS..THydrogen-bonded Turntrans88.421.7175.100000115.2R262 A338 K339 Y340R262-G342 PolarHBondContact NH1-O 3.34Å; A338-G342 PolarHBondContact O-N 3.07Å; A338-G342 VanDerWaalsContact O-N 3.12Å; K339-G342 WeakPolarHBondContact O-CA 3.42Å; K339-G342 PolarHBondContact O-N 3.34Å; Y340-G342 PolarHBondContact O-N 2.78Å
343F90.1Very high91Very high6 Ų647.5 Ų47.53%0.02623%0.23CC..SBendtrans-141.2157.3176.375.3-81000114.3I184 R262 F316 F319 A338 K339 L341 L345 P355I184-F343 HydrophobicContact CD1-CD1 3.9Å; I184-F343 HydrophobicContact CD1-CE1 3.63Å; I184-F343 HydrophobicContact CG2-CB 4.49Å; I184-F343 HydrophobicContact CG2-CD1 4.03Å; R262-F343 VanDerWaalsContact NH1-CA 3.34Å; F316-F343 HydrophobicContact CD1-CZ 4.08Å; F316-F343 AromaticContact CE1-CE1 3.98Å; F316-F343 HydrophobicContact CE1-CE1 3.98Å; F316-F343 HydrophobicContact CE1-CE2 4.17Å; F316-F343 AromaticContact CE1-CZ 3.54Å; F316-F343 HydrophobicContact CE1-CZ 3.54Å; F319-F343 HydrophobicContact CE2-CZ 4.25Å; F319-F343 HydrophobicContact CZ-CZ 4.17Å; A338-F343 CarbonylContact C-O 3.58Å; A338-F343 HydrophobicContact CB-CD1 4.36Å; A338-F343 HydrophobicContact CB-CD2 4.21Å; A338-F343 HydrophobicContact CB-CE1 3.88Å; A338-F343 HydrophobicContact CB-CE2 3.68Å; A338-F343 HydrophobicContact CB-CZ 3.48Å; A338-F343 VanDerWaalsContact CB-CZ 3.48Å; A338-F343 WeakPolarHBondContact O-CD1 3.44Å; A338-F343 PolarHBondContact O-N 3.34Å; K339-F343 PolarHBondContact N-O 3.43Å; L341-F343 HydrophobicContact CB-CD1 3.9Å; L341-F343 HydrophobicContact CB-CE1 3.74Å; L341-F343 HydrophobicContact CD1-CE1 4.03Å; F343-L345 HydrophobicContact CE2-CD1 4.32Å; F343-P355 HydrophobicContact CB-CB 4.42Å; F343-P355 HydrophobicContact CB-CG 4.15Å; F343-P355 HydrophobicContact CD1-CG 4.44Å; F343-P355 HydrophobicContact CD2-CG 4.39Å; F343-P355 HydrophobicContact CG-CG 4.09Å
344Q90.8Very high91.2Very high66 Ų6643.2 Ų43.231%0.30821%0.208SC..  trans-86.1126.7171.6-175.7169.4-7.200109.9Y264 Y346Y264-Q344 PolarHBondContact OH-O 3.35Å; Q344-Y346 HydrophobicContact CB-CE2 3.92Å; Q344-Y346 VanDerWaalsContact CD-CZ 3.42Å; Q344-Y346 HydrophobicContact CG-CD2 4.44Å; Q344-Y346 HydrophobicContact CG-CE1 4.24Å; Q344-Y346 HydrophobicContact CG-CE2 3.85Å; Q344-Y346 PolarHBondContact NE2-OH 2.95Å; Q344-Y346 WeakPolarHBondContact O-CD2 3.29Å; Q344-Y346 PolarHBondContact O-N 3.27Å; Q344-Y346 PolarHBondContact OE1-OH 3.39Å
345L92.3Very high91.2Very high9 Ų943.2 Ų43.25%0.04721%0.208CC..  trans-76.1117.3177.8-178.964.8000110.3F319 Y331 A334 I335 A338 F343 I347 I352F319-L345 HydrophobicContact CB-CD1 4.24Å; F319-L345 HydrophobicContact CD1-CD1 4.38Å; F319-L345 HydrophobicContact CD1-CD2 4.28Å; F319-L345 HydrophobicContact CG-CD1 4.4Å; Y331-L345 HydrophobicContact CE2-CD2 4.38Å; A334-L345 HydrophobicContact CB-CD2 3.7Å; I335-L345 HydrophobicContact CG1-CD2 4.41Å; A338-L345 HydrophobicContact CB-CB 3.73Å; F343-L345 HydrophobicContact CE2-CD1 4.32Å; L345-I347 HydrophobicContact CD1-CB 4.45Å; L345-I347 HydrophobicContact CD1-CG2 4.46Å; L345-I347 HydrophobicContact CD2-CG2 4.18Å; L345-I347 HydrophobicContact CG-CG2 4.08Å; L345-I352 HydrophobicContact CD1-CD1 4.21Å
346Y92.8Very high91.1Very high47 Ų4741.4 Ų41.418%0.18420%0.199CC..EExtended strand (participates in β ladder)trans-115.3108.1167.4-60-80.1000108.8K241 Y264 Q344 L353K241-Y346 HydrophobicContact CB-CE2 4.15Å; K241-Y346 HydrophobicContact CG-CE2 4.22Å; Y264-Y346 HydrophobicContact CE1-CD2 4.05Å; Y264-Y346 HydrophobicContact CE1-CE2 4.33Å; Y264-Y346 HydrophobicContact CE2-CD2 4.3Å; Y264-Y346 AromaticContact CE2-CE2 3.93Å; Y264-Y346 HydrophobicContact CE2-CE2 3.93Å; Y264-Y346 AromaticContact CZ-CD2 3.87Å; Y264-Y346 AromaticContact CZ-CE2 3.68Å; Y264-Y346 WeakPolarHBondContact OH-CE2 3.48Å; Q344-Y346 HydrophobicContact CB-CE2 3.92Å; Q344-Y346 VanDerWaalsContact CD-CZ 3.42Å; Q344-Y346 HydrophobicContact CG-CD2 4.44Å; Q344-Y346 HydrophobicContact CG-CE1 4.24Å; Q344-Y346 HydrophobicContact CG-CE2 3.85Å; Q344-Y346 PolarHBondContact NE2-OH 2.95Å; Q344-Y346 WeakPolarHBondContact O-CD2 3.29Å; Q344-Y346 PolarHBondContact O-N 3.27Å; Q344-Y346 PolarHBondContact OE1-OH 3.39Å; Y346-L353 HydrophobicContact CD2-CD1 4.21Å; Y346-L353 HydrophobicContact CG-CD1 4.07Å; Y346-L353 PolarHBondContact O-N 3.04Å
347I92.4Very high91Very high12 Ų1238 Ų386%0.06218%0.18CC..EExtended strand (participates in β ladder)trans-133135.8177.7-173163.9000109.1L269 I320 Y323 Y331 L345 I352L269-I347 HydrophobicContact CD1-CD1 4.38Å; L269-I347 HydrophobicContact CD1-CG1 4.28Å; I320-I347 HydrophobicContact CB-CD1 4.47Å; I320-I347 HydrophobicContact CG1-CD1 4.08Å; Y323-I347 HydrophobicContact CD1-CD1 3.75Å; Y323-I347 HydrophobicContact CD1-CG1 3.85Å; Y323-I347 HydrophobicContact CD1-CG2 4.36Å; Y323-I347 HydrophobicContact CD2-CG1 4.48Å; Y323-I347 HydrophobicContact CD2-CG2 3.46Å; Y323-I347 VanDerWaalsContact CD2-CG2 3.46Å; Y323-I347 HydrophobicContact CE1-CG1 4.12Å; Y323-I347 HydrophobicContact CE2-CG2 3.77Å; Y323-I347 HydrophobicContact CG-CD1 3.79Å; Y323-I347 HydrophobicContact CG-CG1 4.04Å; Y323-I347 HydrophobicContact CG-CG2 3.78Å; Y331-I347 HydrophobicContact CE2-CG2 3.88Å; L345-I347 HydrophobicContact CD1-CB 4.45Å; L345-I347 HydrophobicContact CD1-CG2 4.46Å; L345-I347 HydrophobicContact CD2-CG2 4.18Å; L345-I347 HydrophobicContact CG-CG2 4.08Å; I347-I352 HydrophobicContact CB-CG1 4.36Å; I347-I352 HydrophobicContact CD1-CB 4.4Å; I347-I352 HydrophobicContact CD1-CD1 4.25Å; I347-I352 HydrophobicContact CD1-CG1 4.45Å; I347-I352 HydrophobicContact CG1-CB 4.27Å; I347-I352 HydrophobicContact CG1-CG1 4.47Å
348T89.4Confident90.9Very high43 Ų4333.9 Ų33.926%0.26416%0.163SC..  trans-122-176.2175.964.80000109.1L269 N350 Y351L269-T348 VanDerWaalsContact CD1-O 3.24Å; L269-T348 WeakPolarHBondContact CD1-O 3.24Å; T348-N350 PolarHBondContact O-N 3.49Å; T348-N350 PolarHBondContact OG1-N 3.12Å; T348-Y351 HydrophobicContact CG2-CD1 4.48Å; T348-Y351 HydrophobicContact CG2-CE1 3.81Å; T348-Y351 HydrophobicContact CG2-CE2 3.86Å; T348-Y351 VanDerWaalsContact CG2-CZ 3.46Å; T348-Y351 WeakPolarHBondContact CG2-OH 2.8Å; T348-Y351 PolarHBondContact N-O 3.12Å; T348-Y351 WeakPolarHBondContact OG1-CD1 3.39Å; T348-Y351 VanDerWaalsContact OG1-CE1 3.23Å; T348-Y351 WeakPolarHBondContact OG1-CE1 3.29Å; T348-Y351 PolarHBondContact OG1-N 3.08Å; T348-Y351 VanDerWaalsContact OG1-N 3.11Å; T348-Y351 PolarHBondContact OG1-O 3.38Å; T348-Y351 VanDerWaalsContact OG1-O 3.09Å
349N86.6Confident90.7Very high107 Ų10734.4 Ų34.457%0.57217%0.165SC*.SBendtrans-62.9-27.8174.5-68.5-16.9000112.9Y270 Y323Y270-N349 VanDerWaalsContact CE2-O 3.25Å; Y270-N349 WeakPolarHBondContact CE2-O 3.5Å; Y323-N349 PolarHBondContact OH-OD1 3.11Å
350N89.7Confident90.8Very high80 Ų8029 Ų2943%0.42814%0.141SC..SBendtrans-112.8-27.3-168.8-60.927.1000112.8S268 L269 T348S268-N350 CarbonylContact C-O 3.56Å; S268-N350 WeakPolarHBondContact CA-O 3.3Å; L269-N350 PolarHBondContact N-O 3.34Å; T348-N350 PolarHBondContact O-N 3.49Å; T348-N350 PolarHBondContact OG1-N 3.12Å
351Y92.2Very high90.7Very high65 Ų6523.6 Ų23.626%0.25512%0.121SC..EExtended strand (participates in β ladder)trans-142.9158.4-176.666.5-93.9000113.1K266 I267 T348 L353K266-Y351 HydrophobicContact CD-CD2 4.5Å; K266-Y351 HydrophobicContact CD-CG 4.39Å; K266-Y351 VanDerWaalsContact CE-CD1 3.49Å; K266-Y351 HydrophobicContact CG-CD2 4Å; K266-Y351 HydrophobicContact CG-CG 4.01Å; I267-Y351 CarbonylContact O-C 3.53Å; I267-Y351 WeakPolarHBondContact O-CA 3.38Å; I267-Y351 VanDerWaalsContact O-CB 3.26Å; I267-Y351 WeakPolarHBondContact O-CB 3.38Å; T348-Y351 HydrophobicContact CG2-CD1 4.48Å; T348-Y351 HydrophobicContact CG2-CE1 3.81Å; T348-Y351 HydrophobicContact CG2-CE2 3.86Å; T348-Y351 VanDerWaalsContact CG2-CZ 3.46Å; T348-Y351 WeakPolarHBondContact CG2-OH 2.8Å; T348-Y351 PolarHBondContact N-O 3.12Å; T348-Y351 WeakPolarHBondContact OG1-CD1 3.39Å; T348-Y351 VanDerWaalsContact OG1-CE1 3.23Å; T348-Y351 WeakPolarHBondContact OG1-CE1 3.29Å; T348-Y351 PolarHBondContact OG1-N 3.08Å; T348-Y351 VanDerWaalsContact OG1-N 3.11Å; T348-Y351 PolarHBondContact OG1-O 3.38Å; T348-Y351 VanDerWaalsContact OG1-O 3.09Å; Y351-L353 HydrophobicContact CD2-CD2 3.64Å; Y351-L353 HydrophobicContact CD2-CG 4.08Å; Y351-L353 HydrophobicContact CE2-CD1 4.41Å; Y351-L353 HydrophobicContact CE2-CD2 3.71Å; Y351-L353 HydrophobicContact CE2-CG 3.92Å
352I94.4Very high90.3Very high0 Ų025.2 Ų25.20%013%0.128CC..EExtended strand (participates in β ladder)trans-120.1141.8167.4-175.7174.1000108.7I267 L269 F316 F319 I320 L345 I347 L354I267-I352 HydrophobicContact CB-CG2 4.12Å; I267-I352 HydrophobicContact CG2-CG2 4.47Å; I267-I352 PolarHBondContact N-O 3.05Å; I267-I352 PolarHBondContact O-N 2.77Å; L269-I352 HydrophobicContact CD2-CB 4Å; L269-I352 HydrophobicContact CD2-CG2 3.74Å; F316-I352 HydrophobicContact CB-CD1 3.84Å; F316-I352 HydrophobicContact CG-CD1 4.42Å; F319-I352 HydrophobicContact CB-CD1 4.47Å; I320-I352 HydrophobicContact CD1-CG2 4.39Å; I320-I352 HydrophobicContact CG1-CD1 4.12Å; L345-I352 HydrophobicContact CD1-CD1 4.21Å; I347-I352 HydrophobicContact CB-CG1 4.36Å; I347-I352 HydrophobicContact CD1-CB 4.4Å; I347-I352 HydrophobicContact CD1-CD1 4.25Å; I347-I352 HydrophobicContact CD1-CG1 4.45Å; I347-I352 HydrophobicContact CG1-CB 4.27Å; I347-I352 HydrophobicContact CG1-CG1 4.47Å; I352-L354 HydrophobicContact CB-CD1 4.35Å; I352-L354 HydrophobicContact CG1-CD1 4.15Å; I352-L354 HydrophobicContact CG2-CD1 3.64Å
353L93.7Very high90.2Very high4 Ų424.4 Ų24.42%0.02112%0.12CC..EExtended strand (participates in β ladder)trans-98.7120.6174.3-56.3-173.5000109.9K241 Y264 I265 K266 Y346 Y351K241-L353 HydrophobicContact CG-CD1 4.16Å; Y264-L353 HydrophobicContact CD1-CB 3.73Å; Y264-L353 HydrophobicContact CG-CB 4.04Å; I265-L353 WeakPolarHBondContact O-CA 3.22Å; K266-L353 HydrophobicContact CB-CD2 3.76Å; K266-L353 HydrophobicContact CG-CD2 3.88Å; Y346-L353 HydrophobicContact CD2-CD1 4.21Å; Y346-L353 HydrophobicContact CG-CD1 4.07Å; Y346-L353 PolarHBondContact O-N 3.04Å; Y351-L353 HydrophobicContact CD2-CD2 3.64Å; Y351-L353 HydrophobicContact CD2-CG 4.08Å; Y351-L353 HydrophobicContact CE2-CD1 4.41Å; Y351-L353 HydrophobicContact CE2-CD2 3.71Å; Y351-L353 HydrophobicContact CE2-CG 3.92Å
354L93.1Very high89.9Confident0 Ų024.1 Ų24.10%012%0.119CC..EExtended strand (participates in β ladder)trans-100.6136.3178-74.465.9000109.1Y264 I265 I267 L312 F316 I352 C356Y264-L354 CarbonylContact C-O 3.57Å; Y264-L354 WeakPolarHBondContact CA-O 2.92Å; I265-L354 PolarHBondContact N-O 3.21Å; I265-L354 PolarHBondContact O-N 3.01Å; I267-L354 HydrophobicContact CB-CD1 3.91Å; I267-L354 HydrophobicContact CG1-CD1 3.67Å; I267-L354 HydrophobicContact CG1-CD2 4.12Å; I267-L354 HydrophobicContact CG1-CG 4.44Å; L312-L354 HydrophobicContact CB-CD2 3.87Å; L312-L354 HydrophobicContact CD2-CD2 4.08Å; L312-L354 HydrophobicContact CG-CD2 4.45Å; F316-L354 HydrophobicContact CD2-CD1 4.44Å; F316-L354 HydrophobicContact CD2-CD2 3.47Å; F316-L354 VanDerWaalsContact CD2-CD2 3.47Å; F316-L354 HydrophobicContact CD2-CG 3.62Å; F316-L354 HydrophobicContact CE2-CB 4.37Å; F316-L354 HydrophobicContact CE2-CD2 3.48Å; F316-L354 VanDerWaalsContact CE2-CD2 3.48Å; F316-L354 HydrophobicContact CE2-CG 3.62Å; F316-L354 HydrophobicContact CG-CD2 4.44Å; F316-L354 HydrophobicContact CG-CG 4.19Å; F316-L354 HydrophobicContact CZ-CD2 4.43Å; F316-L354 HydrophobicContact CZ-CG 4.15Å; I352-L354 HydrophobicContact CB-CD1 4.35Å; I352-L354 HydrophobicContact CG1-CD1 4.15Å; I352-L354 HydrophobicContact CG2-CD1 3.64Å; L354-C356 PolarHBondContact O-N 3.27Å
355P92.3Very high88.7Confident0 Ų021.5 Ų21.50%011%0.107CC..EExtended strand (participates in β ladder)trans-63135.8176.725.3-32.3000111.3I184 R262 Y264 F343 E357 Y358I184-P355 HydrophobicContact CG2-CB 4.26Å; I184-P355 HydrophobicContact CG2-CG 3.49Å; I184-P355 VanDerWaalsContact CG2-CG 3.49Å; R262-P355 VanDerWaalsContact CZ-CB 3.49Å; Y264-P355 HydrophobicContact CE1-CB 4.44Å; F343-P355 HydrophobicContact CB-CB 4.42Å; F343-P355 HydrophobicContact CB-CG 4.15Å; F343-P355 HydrophobicContact CD1-CG 4.44Å; F343-P355 HydrophobicContact CD2-CG 4.39Å; F343-P355 HydrophobicContact CG-CG 4.09Å; P355-E357 PolarHBondContact O-N 2.92Å; P355-Y358 WeakPolarHBondContact O-CB 3.45Å; P355-Y358 PolarHBondContact O-N 3.09Å
356C88.5Confident87.2Confident5 Ų521.5 Ų21.53%0.03411%0.106CC..THydrogen-bonded Turntrans-65.8-19.4179.3-590000113.1C263 Y264 L354 Y358 I361 L374C263-C356 HydrophobicContact CB-CB 3.61Å; C263-C356 WeakPolarHBondContact CB-SG 3.4Å; C263-C356 PolarHBondContact O-N 2.8Å; C263-C356 PolarHBondContact O-SG 3.14Å; C263-C356 VanDerWaalsContact O-SG 3.35Å; C263-C356 WeakPolarHBondContact SG-CB 3.05Å; C263-C356 CovalentContact SG-SG 2.05Å; C263-C356 PolarHBondContact SG-SG 3.09Å; Y264-C356 VanDerWaalsContact C-SG 3.59Å; Y264-C356 PolarHBondContact N-SG 3.39Å; L354-C356 PolarHBondContact O-N 3.27Å; C356-Y358 PolarHBondContact O-N 2.98Å; C356-I361 WeakPolarHBondContact O-CD1 3.06Å; C356-L374 HydrophobicContact CB-CB 3.91Å; C356-L374 HydrophobicContact CB-CD1 4.42Å; C356-L374 HydrophobicContact CB-CD2 4.07Å; C356-L374 HydrophobicContact CB-CG 4.35Å
357E87.3Confident85.5Confident11 Ų1122.1 Ų22.15%0.05112%0.116CC..THydrogen-bonded Turntrans-8517.5177.4-46.782.8178.800114.2H185 R262 P355 E359 S376H185-E357 HydrophobicContact CB-CB 3.72Å; H185-E357 PolarHBondContact N-O 3.07Å; H185-E357 PolarHBondContact ND1-O 3.12Å; H185-E357 VanDerWaalsContact ND1-O 3.09Å; R262-E357 IonicContact CZ-OE2 2.79Å; R262-E357 IonicContact NE-OE2 3.97Å; R262-E357 PolarHBondContact NE-OE2 3.11Å; R262-E357 IonicContact NH2-OE2 2.76Å; R262-E357 PolarHBondContact NH2-OE2 3.37Å; P355-E357 PolarHBondContact O-N 2.92Å; E357-E359 PolarHBondContact O-N 2.66Å; E357-S376 WeakPolarHBondContact OE1-CB 3.16Å; E357-S376 PolarHBondContact OE1-N 3.44Å; E357-S376 VanDerWaalsContact OE1-N 3.17Å; E357-S376 PolarHBondContact OE1-OG 3.39Å
358Y90.8Very high83.6Confident3 Ų325.6 Ų25.61%0.01213%0.134CC..BIsolated β-bridgetrans-71.8115.8170.9175.5-142000110.4F67 L69 I184 L312 F316 P355 C356 F360 I361F67-Y358 WeakPolarHBondContact CD1-OH 3.43Å; L69-Y358 HydrophobicContact CD2-CE2 3.65Å; I184-Y358 HydrophobicContact CG1-CD2 3.79Å; I184-Y358 HydrophobicContact CG1-CE2 4.46Å; I184-Y358 HydrophobicContact CG1-CG 4.43Å; L312-Y358 HydrophobicContact CD2-CD1 4.27Å; L312-Y358 HydrophobicContact CD2-CE1 4.19Å; F316-Y358 HydrophobicContact CE2-CD1 4.15Å; F316-Y358 HydrophobicContact CE2-CE1 4.11Å; P355-Y358 WeakPolarHBondContact O-CB 3.45Å; P355-Y358 PolarHBondContact O-N 3.09Å; C356-Y358 PolarHBondContact O-N 2.98Å; Y358-F360 HydrophobicContact CD1-CB 4.17Å; Y358-F360 HydrophobicContact CD2-CB 4.29Å; Y358-F360 HydrophobicContact CE1-CB 3.58Å; Y358-F360 AromaticContact CE1-CD1 3.93Å; Y358-F360 HydrophobicContact CE1-CD1 3.93Å; Y358-F360 HydrophobicContact CE1-CG 4.2Å; Y358-F360 HydrophobicContact CE2-CB 3.71Å; Y358-F360 PolarHBondContact O-N 2.99Å; Y358-F360 VanDerWaalsContact O-N 3.15Å; Y358-F360 WeakPolarHBondContact OH-CB 3.07Å; Y358-I361 HydrophobicContact CD1-CD1 4.35Å; Y358-I361 HydrophobicContact CD1-CG1 4Å; Y358-I361 HydrophobicContact CG-CD1 4.5Å; Y358-I361 HydrophobicContact CG-CG1 4.46Å; Y358-I361 WeakPolarHBondContact O-CB 3.48Å; Y358-I361 WeakPolarHBondContact O-CD1 3.44Å; Y358-I361 WeakPolarHBondContact O-CG1 3.41Å; Y358-I361 PolarHBondContact O-N 3.25Å; Y358-I361 VanDerWaalsContact O-N 3.15Å
359E88.9Confident81.5Confident10 Ų1027.7 Ų27.75%0.04714%0.143CC..G310 helixtrans-55.8-36.7-171-79.1-178.9159.500114H101 Y182 R183 H185 E357 I361 Q362H101-E359 IonicContact CD2-OE2 3.13Å; H101-E359 IonicContact CE1-OE1 2.62Å; H101-E359 WeakPolarHBondContact NE2-CB 3.4Å; H101-E359 WeakPolarHBondContact NE2-CG 3.29Å; H101-E359 IonicContact NE2-OE1 3.93Å; H101-E359 IonicContact NE2-OE2 2.9Å; Y182-E359 HydrophobicContact CD1-CB 3.93Å; R183-E359 WeakPolarHBondContact CA-OE2 3.19Å; R183-E359 HydrophobicContact CB-CG 4.39Å; R183-E359 VanDerWaalsContact CB-OE2 3.24Å; R183-E359 WeakPolarHBondContact CB-OE2 3.41Å; R183-E359 WeakPolarHBondContact CG-OE2 3.42Å; R183-E359 IonicContact CZ-OE1 3.75Å; R183-E359 VanDerWaalsContact CZ-OE1 3.22Å; R183-E359 PolarHBondContact N-OE2 3.35Å; R183-E359 IonicContact NE-OE1 3.93Å; R183-E359 PolarHBondContact NE-OE1 3.43Å; R183-E359 IonicContact NE-OE2 3.38Å; R183-E359 PolarHBondContact NE-OE2 3.12Å; R183-E359 IonicContact NH2-OE1 3.16Å; R183-E359 PolarHBondContact NH2-OE1 2.94Å; R183-E359 WeakPolarHBondContact O-CB 3.43Å; R183-E359 PolarHBondContact O-N 3.05Å; H185-E359 WeakPolarHBondContact CE1-CG 3.41Å; H185-E359 IonicContact CE1-OE1 2.76Å; H185-E359 PolarHBondContact CE1-OE1 3.35Å; H185-E359 IonicContact NE2-OE1 3.24Å; H185-E359 PolarHBondContact NE2-OE1 3.39Å; E357-E359 PolarHBondContact O-N 2.66Å; E359-I361 PolarHBondContact O-N 3.46Å; E359-I361 VanDerWaalsContact O-N 3.16Å; E359-Q362 VanDerWaalsContact O-CG 3.26Å; E359-Q362 WeakPolarHBondContact O-CG 3.5Å; E359-Q362 PolarHBondContact O-N 3.33Å
360F91.6Very high79.6Confident0 Ų030.8 Ų30.80%016%0.159CC..G310 helixtrans-63.1-23.8-176.2-178.5-109.8000113.7F67 I107 F108 H180 Y182 I311 Y358 Q362 H363 L364F67-F360 AromaticContact CE1-CD1 3.99Å; F67-F360 HydrophobicContact CE1-CD1 3.99Å; F67-F360 AromaticContact CE1-CE1 3.78Å; F67-F360 HydrophobicContact CE1-CE1 3.78Å; F67-F360 HydrophobicContact CE1-CE2 4.36Å; F67-F360 HydrophobicContact CE1-CG 4.36Å; F67-F360 AromaticContact CE1-CZ 3.96Å; F67-F360 HydrophobicContact CE1-CZ 3.96Å; F67-F360 HydrophobicContact CZ-CE1 4.02Å; F67-F360 HydrophobicContact CZ-CZ 4.21Å; I107-F360 HydrophobicContact CD1-CE2 4.3Å; F108-F360 HydrophobicContact CE2-CE2 4.13Å; F108-F360 AromaticContact CE2-CZ 3.66Å; F108-F360 HydrophobicContact CE2-CZ 3.66Å; F108-F360 HydrophobicContact CZ-CE2 4.08Å; F108-F360 AromaticContact CZ-CZ 3.74Å; F108-F360 HydrophobicContact CZ-CZ 3.74Å; H180-F360 AromaticContact CE1-CE2 3.97Å; H180-F360 AromaticContact ND1-CE2 3.56Å; Y182-F360 HydrophobicContact CD1-CB 4.18Å; Y182-F360 HydrophobicContact CD2-CB 3.95Å; Y182-F360 AromaticContact CD2-CD2 3.61Å; Y182-F360 HydrophobicContact CD2-CD2 3.61Å; Y182-F360 HydrophobicContact CD2-CG 4.14Å; Y182-F360 HydrophobicContact CE1-CD2 4.34Å; Y182-F360 HydrophobicContact CE2-CB 4.45Å; Y182-F360 AromaticContact CE2-CD2 3.35Å; Y182-F360 HydrophobicContact CE2-CD2 3.35Å; Y182-F360 AromaticContact CE2-CE2 3.99Å; Y182-F360 HydrophobicContact CE2-CE2 3.99Å; Y182-F360 HydrophobicContact CE2-CG 4.3Å; Y182-F360 HydrophobicContact CG-CB 3.8Å; Y182-F360 HydrophobicContact CG-CD2 4.23Å; Y182-F360 HydrophobicContact CG-CG 4.46Å; Y182-F360 AromaticContact CZ-CD2 3.73Å; I311-F360 HydrophobicContact CG2-CE1 3.49Å; I311-F360 VanDerWaalsContact CG2-CE1 3.49Å; I311-F360 HydrophobicContact CG2-CZ 3.89Å; Y358-F360 HydrophobicContact CD1-CB 4.17Å; Y358-F360 HydrophobicContact CD2-CB 4.29Å; Y358-F360 HydrophobicContact CE1-CB 3.58Å; Y358-F360 AromaticContact CE1-CD1 3.93Å; Y358-F360 HydrophobicContact CE1-CD1 3.93Å; Y358-F360 HydrophobicContact CE1-CG 4.2Å; Y358-F360 HydrophobicContact CE2-CB 3.71Å; Y358-F360 PolarHBondContact O-N 2.99Å; Y358-F360 VanDerWaalsContact O-N 3.15Å; Y358-F360 WeakPolarHBondContact OH-CB 3.07Å; F360-Q362 PolarHBondContact O-N 3.45Å; F360-Q362 VanDerWaalsContact O-N 3.1Å; F360-H363 PolarHBondContact O-N 2.86Å; F360-L364 HydrophobicContact CD1-CD2 4.46Å; F360-L364 HydrophobicContact CD1-CG 4.49Å; F360-L364 HydrophobicContact CE1-CD2 3.71Å; F360-L364 HydrophobicContact CE1-CG 4.19Å; F360-L364 HydrophobicContact CZ-CD2 4.14Å
361I87.9Confident77.2Confident9 Ų936 Ų365%0.04618%0.178CC..G310 helixtrans-54.5-34.1179.6-66.3161.5000111I265 L312 C356 Y358 E359 H363 L364 I366 L374I265-I361 HydrophobicContact CD1-CD1 3.38Å; I265-I361 HydrophobicContact CD1-CG1 4.05Å; I265-I361 HydrophobicContact CD1-CG2 4.43Å; L312-I361 HydrophobicContact CD2-CG1 4.29Å; C356-I361 WeakPolarHBondContact O-CD1 3.06Å; Y358-I361 HydrophobicContact CD1-CD1 4.35Å; Y358-I361 HydrophobicContact CD1-CG1 4Å; Y358-I361 HydrophobicContact CG-CD1 4.5Å; Y358-I361 HydrophobicContact CG-CG1 4.46Å; Y358-I361 WeakPolarHBondContact O-CB 3.48Å; Y358-I361 WeakPolarHBondContact O-CD1 3.44Å; Y358-I361 WeakPolarHBondContact O-CG1 3.41Å; Y358-I361 PolarHBondContact O-N 3.25Å; Y358-I361 VanDerWaalsContact O-N 3.15Å; E359-I361 PolarHBondContact O-N 3.46Å; E359-I361 VanDerWaalsContact O-N 3.16Å; I361-H363 PolarHBondContact O-N 3.02Å; I361-H363 VanDerWaalsContact O-N 3.15Å; I361-L364 PolarHBondContact O-N 3.37Å; I361-I366 HydrophobicContact CG2-CD1 3.74Å; I361-L374 HydrophobicContact CG2-CD1 4.15Å
362Q82.9Confident75Confident36 Ų3637.5 Ų37.517%0.16819%0.186CC..G310 helixtrans-67.4-14.9-177.582.6-167.8-12.900114.2H101 E359 F360 I368H101-Q362 PolarHBondContact CD2-NE2 2.92Å; H101-Q362 PolarHBondContact NE2-NE2 2.84Å; H101-Q362 PolarHBondContact O-NE2 2.87Å; H101-Q362 VanDerWaalsContact O-NE2 3.12Å; E359-Q362 VanDerWaalsContact O-CG 3.26Å; E359-Q362 WeakPolarHBondContact O-CG 3.5Å; E359-Q362 PolarHBondContact O-N 3.33Å; F360-Q362 PolarHBondContact O-N 3.45Å; F360-Q362 VanDerWaalsContact O-N 3.1Å; Q362-I368 HydrophobicContact CB-CD1 3.8Å; Q362-I368 WeakPolarHBondContact O-CD1 3.07Å
363H85.9Confident73.3Confident0 Ų039.1 Ų39.10%020%0.197CC..G310 helixtrans-99.7-3.6-178.1-65.3-63.3000113.5H101 K103 Y105 I107 Y182 F360 I361H101-H363 AromaticContact CD2-NE2 3.98Å; H101-H363 PolarHBondContact O-CE1 2.96Å; K103-H363 PolarHBondContact O-CE1 3.47Å; Y105-H363 PolarHBondContact O-ND1 3.4Å; Y105-H363 VanDerWaalsContact O-ND1 3.09Å; I107-H363 HydrophobicContact CD1-CB 3.88Å; I107-H363 HydrophobicContact CG1-CB 3.95Å; I107-H363 HydrophobicContact CG2-CB 4.06Å; I107-H363 PolarHBondContact N-O 3.05Å; Y182-H363 AromaticContact CE1-CD2 3.37Å; Y182-H363 WeakPolarHBondContact CE1-CD2 3.5Å; Y182-H363 AromaticContact CE1-NE2 3.44Å; Y182-H363 WeakPolarHBondContact CE1-NE2 3.29Å; Y182-H363 AromaticContact CZ-CD2 3.59Å; Y182-H363 AromaticContact CZ-NE2 3.88Å; Y182-H363 PolarHBondContact OH-CD2 2.85Å; Y182-H363 VanDerWaalsContact OH-CD2 3.24Å; Y182-H363 PolarHBondContact OH-NE2 3.42Å; F360-H363 PolarHBondContact O-N 2.86Å; I361-H363 PolarHBondContact O-N 3.02Å; I361-H363 VanDerWaalsContact O-N 3.15Å
364L84.1Confident72Confident0 Ų041 Ų410%021%0.207CC..SBendtrans-78.9166176.4-65175000111.2F108 I308 I311 L312 F360 I361 I366F108-L364 HydrophobicContact CD2-CD2 4.45Å; F108-L364 HydrophobicContact CE2-CD2 4.14Å; I308-L364 HydrophobicContact CG1-CB 4.34Å; I308-L364 HydrophobicContact CG2-CD1 4.23Å; I311-L364 HydrophobicContact CB-CD2 4.45Å; I311-L364 HydrophobicContact CD1-CD2 4.16Å; I311-L364 HydrophobicContact CG2-CD2 4.14Å; L312-L364 HydrophobicContact CD1-CD1 4.02Å; L312-L364 HydrophobicContact CD2-CD1 3.71Å; L312-L364 HydrophobicContact CG-CD1 3.78Å; F360-L364 HydrophobicContact CD1-CD2 4.46Å; F360-L364 HydrophobicContact CD1-CG 4.49Å; F360-L364 HydrophobicContact CE1-CD2 3.71Å; F360-L364 HydrophobicContact CE1-CG 4.19Å; F360-L364 HydrophobicContact CZ-CD2 4.14Å; I361-L364 PolarHBondContact O-N 3.37Å; L364-I366 HydrophobicContact CB-CD1 4Å; L364-I366 HydrophobicContact CB-CG1 4.1Å; L364-I366 HydrophobicContact CD1-CD1 4.33Å; L364-I366 PolarHBondContact O-N 3.45Å
365F66.6Low70.9Confident11 Ų1145.3 Ų45.35%0.04822%0.224CC..SBendtrans-65.841.5174.5-53.9-86000113.7F108 L120 E304 I308F108-F365 HydrophobicContact CB-CE1 4.05Å; F108-F365 HydrophobicContact CB-CE2 3.64Å; F108-F365 HydrophobicContact CB-CZ 3.31Å; F108-F365 HydrophobicContact CG-CE2 4.46Å; F108-F365 WeakPolarHBondContact O-CE1 3.49Å; L120-F365 HydrophobicContact CD1-CE2 3.54Å; L120-F365 HydrophobicContact CD1-CZ 3.39Å; E304-F365 HydrophobicContact CB-CB 4.42Å; E304-F365 HydrophobicContact CG-CB 4.24Å; E304-F365 HydrophobicContact CG-CG 4.37Å; I308-F365 HydrophobicContact CD1-CB 4.09Å; I308-F365 HydrophobicContact CG1-CD2 4.48Å
366I60.9Low70.4Confident8 Ų845.3 Ų45.34%0.04122%0.224CC..  trans-99.4120.7177.1-58.6166.7000104.5Y232 L236 I308 I361 L364 I368Y232-I366 HydrophobicContact CD1-CG2 4.05Å; Y232-I366 HydrophobicContact CE1-CG2 3.44Å; Y232-I366 VanDerWaalsContact CE1-CG2 3.44Å; L236-I366 HydrophobicContact CD1-CD1 3.53Å; L236-I366 HydrophobicContact CD1-CG1 4.4Å; L236-I366 HydrophobicContact CG-CD1 4.43Å; I308-I366 HydrophobicContact CD1-CG1 3.94Å; I361-I366 HydrophobicContact CG2-CD1 3.74Å; L364-I366 HydrophobicContact CB-CD1 4Å; L364-I366 HydrophobicContact CB-CG1 4.1Å; L364-I366 HydrophobicContact CD1-CD1 4.33Å; L364-I366 PolarHBondContact O-N 3.45Å; I366-I368 PolarHBondContact O-N 3.19Å
367P56.5Low70Confident61 Ų6146.8 Ų46.840%0.39623%0.229SC..  trans-57.297.9161.8-17.528.2000106.8Y232 L233 I369Y232-P367 PolarHBondContact OH-O 3.46Å; L233-P367 HydrophobicContact CD1-CB 3.89Å; L233-P367 HydrophobicContact CD1-CG 3.8Å; P367-I369 HydrophobicContact CB-CG1 4.4Å; P367-I369 PolarHBondContact O-N 2.88Å
368I51.4Low69.8Low85 Ų8547.8 Ų47.844%0.43623%0.233SC..  trans-75.981169.9-51.8173.5000104.5Q362 I366 N370Q362-I368 HydrophobicContact CB-CD1 3.8Å; Q362-I368 WeakPolarHBondContact O-CD1 3.07Å; I366-I368 PolarHBondContact O-N 3.19Å; I368-N370 PolarHBondContact O-N 2.94Å; I368-N370 VanDerWaalsContact O-N 3.13Å
369I47.3Very low69.2Low87 Ų8747.7 Ų47.745%0.44623%0.232SC..  trans-59.5122.5168.6-56.8172.8000104.3L233 P367 K371 F372L233-I369 HydrophobicContact CD2-CD1 4.05Å; P367-I369 HydrophobicContact CB-CG1 4.4Å; P367-I369 PolarHBondContact O-N 2.88Å; I369-K371 HydrophobicContact CG2-CB 4.21Å; I369-K371 HydrophobicContact CG2-CG 4.44Å; I369-K371 PolarHBondContact O-N 3.5Å; I369-F372 PolarHBondContact O-N 3.23Å; I369-F372 VanDerWaalsContact O-N 3.15Å
370N44.7Very low68.9Low171 Ų17147.8 Ų47.891%0.91423%0.233SC*.THydrogen-bonded Turntrans-49.6-1.4-179.9-82.2-16.9000115.4I368I368-N370 PolarHBondContact O-N 2.94Å; I368-N370 VanDerWaalsContact O-N 3.13Å
371K41.2Very low68.3Low190 Ų19047.8 Ų47.883%0.82623%0.233SC*.THydrogen-bonded Turntrans-96.4-20.1-178.8-69.6-174.1176.3-179.40115.3I369I369-K371 HydrophobicContact CG2-CB 4.21Å; I369-K371 HydrophobicContact CG2-CG 4.44Å; I369-K371 PolarHBondContact O-N 3.5Å
372F46Very low67.9Low96 Ų9649 Ų4942%0.42124%0.239SC..  trans-108.7101.8-178.7-135.2-77.4000112.5Y230 Y232 I369 L374Y230-F372 HydrophobicContact CE1-CE1 4.39Å; Y230-F372 HydrophobicContact CE1-CZ 4.19Å; Y230-F372 HydrophobicContact CE2-CZ 4.47Å; Y230-F372 AromaticContact CZ-CE1 3.78Å; Y230-F372 AromaticContact CZ-CZ 3.77Å; Y230-F372 WeakPolarHBondContact OH-CD1 3.37Å; Y230-F372 WeakPolarHBondContact OH-CE1 3.39Å; Y230-F372 WeakPolarHBondContact OH-CZ 3.48Å; Y232-F372 HydrophobicContact CE2-CB 3.76Å; Y232-F372 HydrophobicContact CE2-CG 4.18Å; I369-F372 PolarHBondContact O-N 3.23Å; I369-F372 VanDerWaalsContact O-N 3.15Å; F372-L374 PolarHBondContact O-N 3.43Å
373S57.2Low67.6Low34 Ų3447.5 Ų47.524%0.23823%0.232CC..  trans-92.3101.9178.876.20000109.2Y375S373-Y375 PolarHBondContact O-N 2.95Å; S373-Y375 WeakPolarHBondContact OG-CD2 3.47Å; S373-Y375 WeakPolarHBondContact OG-CE2 3.28Å
374L66Low66.9Low43 Ų4352 Ų5223%0.22525%0.253CS..  trans-59.767.7175.5-75177.6000111.7I238 C356 I361 F372I238-L374 HydrophobicContact CD1-CD2 3.54Å; C356-L374 HydrophobicContact CB-CB 3.91Å; C356-L374 HydrophobicContact CB-CD1 4.42Å; C356-L374 HydrophobicContact CB-CD2 4.07Å; C356-L374 HydrophobicContact CB-CG 4.35Å; I361-L374 HydrophobicContact CG2-CD1 4.15Å; F372-L374 PolarHBondContact O-N 3.43Å
375Y71.8Confident66.1Low91 Ų9155 Ų5536%0.35727%0.265SS..  trans-115.6135.9-178-56.9-44.2000110.1N190 K192 S373 R377N190-Y375 HydrophobicContact CB-CD1 4.5Å; K192-Y375 HydrophobicContact CD-CD2 4Å; K192-Y375 VanDerWaalsContact CE-CD2 3.46Å; K192-Y375 HydrophobicContact CG-CD2 4.42Å; S373-Y375 PolarHBondContact O-N 2.95Å; S373-Y375 WeakPolarHBondContact OG-CD2 3.47Å; S373-Y375 WeakPolarHBondContact OG-CE2 3.28Å; Y375-R377 PolarHBondContact O-NH1 3.39Å
376S81.6Confident65.6Low0 Ų061.6 Ų61.60%030%0.296CS..  trans-49.5157.6159.3-72.70000112.5Y187 S191 K192 R262 E357Y187-S376 WeakPolarHBondContact CB-OG 3.23Å; S191-S376 WeakPolarHBondContact CA-O 3.5Å; S191-S376 WeakPolarHBondContact CB-O 3.17Å; K192-S376 PolarHBondContact N-O 2.91Å; K192-S376 VanDerWaalsContact N-O 3.09Å; R262-S376 WeakPolarHBondContact CA-OG 3.4Å; R262-S376 WeakPolarHBondContact CG-OG 3.44Å; E357-S376 WeakPolarHBondContact OE1-CB 3.16Å; E357-S376 PolarHBondContact OE1-N 3.44Å; E357-S376 VanDerWaalsContact OE1-N 3.17Å; E357-S376 PolarHBondContact OE1-OG 3.39Å
377R80.3Confident65.3Low37 Ų3766.3 Ų66.314%0.1432%0.316CS..EExtended strand (participates in β ladder)trans-123.2158.8174.8-67.8-64.3-172.3-84.6-5.8109.8K192 L194 L227 Y260 Q261 Y375K192-R377 CarbonylContact O-C 3.58Å; K192-R377 VanDerWaalsContact O-CA 3.3Å; K192-R377 WeakPolarHBondContact O-CA 3.12Å; L194-R377 HydrophobicContact CB-CB 4.28Å; L227-R377 HydrophobicContact CD2-CB 4.2Å; L227-R377 HydrophobicContact CD2-CG 3.92Å; Y260-R377 WeakPolarHBondContact CA-O 3.26Å; Q261-R377 PolarHBondContact N-O 3.25Å; Q261-R377 PolarHBondContact O-N 2.86Å; Q261-R377 VanDerWaalsContact O-O 3.06Å; Y375-R377 PolarHBondContact O-NH1 3.39Å
378Y83Confident65.1Low32 Ų3272.7 Ų72.713%0.12534%0.338CS..EExtended strand (participates in β ladder)trans-142.6148.7169.569-85.2000112.2S191 K192 V193 L194 K258 Q259 Y260 E380S191-Y378 WeakPolarHBondContact O-CE1 3.09Å; S191-Y378 VanDerWaalsContact OG-CD1 3.32Å; S191-Y378 WeakPolarHBondContact OG-CD1 3.41Å; K192-Y378 WeakPolarHBondContact O-CD1 3.39Å; K192-Y378 PolarHBondContact O-N 3.45Å; V193-Y378 CarbonylContact C-O 3.58Å; V193-Y378 HydrophobicContact CB-CE2 4.44Å; V193-Y378 HydrophobicContact CG2-CE1 3.91Å; V193-Y378 HydrophobicContact CG2-CE2 3.73Å; V193-Y378 WeakPolarHBondContact CG2-OH 3.41Å; L194-Y378 PolarHBondContact N-O 3.49Å; K258-Y378 HydrophobicContact CB-CD2 4.14Å; K258-Y378 HydrophobicContact CD-CD2 4.2Å; K258-Y378 HydrophobicContact CD-CE2 3.94Å; K258-Y378 HydrophobicContact CG-CD2 4.03Å; K258-Y378 HydrophobicContact CG-CE2 4.07Å; Q259-Y378 WeakPolarHBondContact O-CA 3.26Å; Q259-Y378 WeakPolarHBondContact O-CB 3.33Å; Y260-Y378 VanDerWaalsContact CD1-CB 3.44Å; Y260-Y378 HydrophobicContact CD1-CD1 4.28Å; Y260-Y378 HydrophobicContact CD1-CG 4.08Å; Y260-Y378 HydrophobicContact CE1-CD1 4.06Å; Y260-Y378 AromaticContact CE1-CG 3.97Å; Y260-Y378 HydrophobicContact CE1-CG 3.97Å; Y378-E380 HydrophobicContact CD2-CB 4.22Å; Y378-E380 HydrophobicContact CE2-CB 4.02Å
379I77.3Confident64.9Low0 Ų077.4 Ų77.40%036%0.358CS..EExtended strand (participates in β ladder)trans-95.5129.3166.5-67.6174.9000107.3L194 F195 I197 I217 L220 Y221 K258 Q259 L381L194-I379 HydrophobicContact CB-CG1 4.39Å; L194-I379 HydrophobicContact CD2-CD1 4.33Å; L194-I379 HydrophobicContact CD2-CG1 4.11Å; F195-I379 HydrophobicContact CB-CG1 4.28Å; F195-I379 HydrophobicContact CB-CG2 4.44Å; F195-I379 HydrophobicContact CD2-CD1 4.08Å; F195-I379 HydrophobicContact CD2-CG1 4.13Å; F195-I379 WeakPolarHBondContact O-CA 2.99Å; I197-I379 HydrophobicContact CD1-CG2 4.29Å; I217-I379 HydrophobicContact CG2-CD1 3.92Å; L220-I379 HydrophobicContact CB-CD1 4.27Å; Y221-I379 HydrophobicContact CD1-CD1 3.97Å; Y221-I379 HydrophobicContact CD2-CD1 3.82Å; Y221-I379 HydrophobicContact CE1-CD1 3.64Å; Y221-I379 HydrophobicContact CE1-CG1 3.79Å; Y221-I379 HydrophobicContact CE2-CD1 3.46Å; Y221-I379 VanDerWaalsContact CE2-CD1 3.46Å; Y221-I379 HydrophobicContact CE2-CG1 4.04Å; Y221-I379 HydrophobicContact CG-CD1 4.08Å; Y221-I379 VanDerWaalsContact CZ-CG1 3.48Å; Y221-I379 WeakPolarHBondContact OH-CG1 3.45Å; Y221-I379 PolarHBondContact OH-N 2.99Å; Y221-I379 VanDerWaalsContact OH-N 3.1Å; K258-I379 WeakPolarHBondContact CA-O 3.5Å; Q259-I379 PolarHBondContact N-O 3.22Å; Q259-I379 PolarHBondContact O-N 2.81Å; I379-L381 HydrophobicContact CG2-CD2 3.72Å; I379-L381 HydrophobicContact CG2-CG 4.26Å
380E82.8Confident64.9Low13 Ų1376.7 Ų76.76%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-101.9122.3174.8-173172.3121.600109.3F195 Q196 I197 K256 Y378 N382F195-E380 PolarHBondContact O-N 3.35Å; Q196-E380 CarbonylContact C-O 3.57Å; Q196-E380 WeakPolarHBondContact CA-O 3.39Å; Q196-E380 HydrophobicContact CG-CB 4.45Å; I197-E380 PolarHBondContact N-O 2.81Å; K256-E380 VanDerWaalsContact CE-OE1 3.24Å; K256-E380 WeakPolarHBondContact CE-OE1 3.49Å; K256-E380 WeakPolarHBondContact CE-OE2 3.48Å; K256-E380 HydrophobicContact CG-CG 4.4Å; K256-E380 IonicContact NZ-OE1 2.73Å; K256-E380 PolarHBondContact NZ-OE1 3.09Å; K256-E380 IonicContact NZ-OE2 2.79Å; K256-E380 PolarHBondContact NZ-OE2 3.19Å; Y378-E380 HydrophobicContact CD2-CB 4.22Å; Y378-E380 HydrophobicContact CE2-CB 4.02Å; E380-N382 PolarHBondContact OE1-ND2 3.3Å; E380-N382 PolarHBondContact OE1-OD1 3.09Å
381L78.3Confident65.2Low0 Ų073.9 Ų73.90%034%0.339CS..EExtended strand (participates in β ladder)trans-110.4113175.7-50170.6000108I197 Q212 I215 I217 K256 I257 I379 Y383I197-L381 HydrophobicContact CB-CD2 3.76Å; I197-L381 HydrophobicContact CD1-CD2 3.75Å; I197-L381 HydrophobicContact CG1-CD2 4.08Å; I197-L381 HydrophobicContact CG2-CD2 4.48Å; I197-L381 CarbonylContact O-C 3.46Å; I197-L381 WeakPolarHBondContact O-CA 3.26Å; Q212-L381 HydrophobicContact CG-CD1 4.41Å; I215-L381 HydrophobicContact CD1-CD2 3.89Å; I215-L381 HydrophobicContact CG2-CD2 4.21Å; I217-L381 HydrophobicContact CD1-CD1 3.47Å; I217-L381 VanDerWaalsContact CD1-CD1 3.47Å; I217-L381 HydrophobicContact CG1-CD1 4.38Å; K256-L381 CarbonylContact C-O 3.49Å; K256-L381 WeakPolarHBondContact CA-O 3.14Å; I257-L381 HydrophobicContact CB-CB 4.25Å; I257-L381 HydrophobicContact CB-CD1 4.45Å; I257-L381 PolarHBondContact N-O 2.98Å; I257-L381 PolarHBondContact O-N 2.91Å; I379-L381 HydrophobicContact CG2-CD2 3.72Å; I379-L381 HydrophobicContact CG2-CG 4.26Å; L381-Y383 HydrophobicContact CB-CD2 4.26Å; L381-Y383 HydrophobicContact CB-CE2 3.45Å; L381-Y383 VanDerWaalsContact CB-CE2 3.45Å; L381-Y383 HydrophobicContact CD1-CE2 4.17Å; L381-Y383 WeakPolarHBondContact CD1-OH 3.05Å; L381-Y383 HydrophobicContact CG-CE2 4.43Å
382N81.1Confident65.4Low34 Ų3470.6 Ų70.618%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-102.7118.2174.1-61.8-50.2000108.7Q196 I197 N198 R199 K256 E380Q196-N382 WeakPolarHBondContact CG-ND2 3.33Å; Q196-N382 PolarHBondContact NE2-ND2 2.68Å; I197-N382 PolarHBondContact O-N 2.86Å; N198-N382 CarbonylContact C-O 3.47Å; N198-N382 WeakPolarHBondContact CA-O 3.22Å; N198-N382 WeakPolarHBondContact OD1-CB 3.3Å; N198-N382 PolarHBondContact OD1-ND2 3.16Å; R199-N382 PolarHBondContact N-O 3.11Å; K256-N382 WeakPolarHBondContact CG-OD1 3.39Å; E380-N382 PolarHBondContact OE1-ND2 3.3Å; E380-N382 PolarHBondContact OE1-OD1 3.09Å
383Y75Confident65.4Low4 Ų470.6 Ų70.62%0.01634%0.337CS..EExtended strand (participates in β ladder)trans-109.4133.7176.3-59.9-72000109.6R199 F201 L211 I215 K254 I255 I257 L381R199-Y383 HydrophobicContact CB-CD1 3.94Å; R199-Y383 HydrophobicContact CB-CE1 4.12Å; R199-Y383 VanDerWaalsContact O-CA 3.3Å; R199-Y383 WeakPolarHBondContact O-CA 3.4Å; F201-Y383 AromaticContact CD2-CD1 3.98Å; F201-Y383 HydrophobicContact CD2-CD1 3.98Å; F201-Y383 AromaticContact CE2-CD1 3.44Å; F201-Y383 HydrophobicContact CE2-CD1 3.44Å; F201-Y383 VanDerWaalsContact CE2-CD1 3.44Å; F201-Y383 AromaticContact CE2-CE1 3.69Å; F201-Y383 HydrophobicContact CE2-CE1 3.69Å; F201-Y383 HydrophobicContact CZ-CE1 4.44Å; L211-Y383 HydrophobicContact CB-CE1 4.16Å; L211-Y383 HydrophobicContact CB-CE2 4.24Å; L211-Y383 WeakPolarHBondContact CB-OH 3.38Å; L211-Y383 HydrophobicContact CD1-CD1 4.09Å; L211-Y383 HydrophobicContact CD1-CD2 3.74Å; L211-Y383 HydrophobicContact CD1-CE1 4.02Å; L211-Y383 HydrophobicContact CD1-CE2 3.71Å; L211-Y383 HydrophobicContact CD1-CG 3.89Å; L211-Y383 HydrophobicContact CD2-CD1 4.3Å; L211-Y383 HydrophobicContact CD2-CE1 3.98Å; L211-Y383 HydrophobicContact CG-CE1 4.31Å; I215-Y383 HydrophobicContact CD1-CE1 4Å; I215-Y383 WeakPolarHBondContact CD1-OH 3.32Å; K254-Y383 CarbonylContact C-O 3.54Å; K254-Y383 VanDerWaalsContact CA-O 3.22Å; K254-Y383 WeakPolarHBondContact CA-O 3.45Å; I255-Y383 HydrophobicContact CB-CD2 4.47Å; I255-Y383 PolarHBondContact N-O 2.82Å; I255-Y383 PolarHBondContact O-N 2.95Å; I257-Y383 HydrophobicContact CD1-CD2 4Å; I257-Y383 HydrophobicContact CD1-CE2 3.67Å; I257-Y383 HydrophobicContact CG1-CE2 4.35Å; L381-Y383 HydrophobicContact CB-CD2 4.26Å; L381-Y383 HydrophobicContact CB-CE2 3.45Å; L381-Y383 VanDerWaalsContact CB-CE2 3.45Å; L381-Y383 HydrophobicContact CD1-CE2 4.17Å; L381-Y383 WeakPolarHBondContact CD1-OH 3.05Å; L381-Y383 HydrophobicContact CG-CE2 4.43Å
384E72.1Confident65.1Low96 Ų9675.1 Ų75.145%0.44935%0.353SS..EExtended strand (participates in β ladder)trans-122.7125170.6-176.2164.8-148.600108R199 T200 F201 G253 K254R199-E384 PolarHBondContact O-N 2.97Å; T200-E384 CarbonylContact C-O 3.6Å; T200-E384 VanDerWaalsContact CA-O 3.23Å; T200-E384 WeakPolarHBondContact CA-O 3.34Å; T200-E384 HydrophobicContact CG2-CB 4.15Å; F201-E384 PolarHBondContact N-O 3.44Å; G253-E384 CarbonylContact O-C 3.02Å; G253-E384 WeakPolarHBondContact O-CA 3.4Å; K254-E384 WeakPolarHBondContact CE-OE1 3.35Å; K254-E384 HydrophobicContact CG-CG 4.28Å; K254-E384 IonicContact NZ-OE1 2.61Å
385Y68Low64.2Low61 Ų6176.7 Ų76.724%0.23936%0.361CS..EExtended strand (participates in β ladder)trans-123.7146.8177.165.8-87.6000110.3F201 I205 G253 I255 F387F201-Y385 VanDerWaalsContact O-CA 3.32Å; F201-Y385 WeakPolarHBondContact O-CA 3.46Å; I205-Y385 HydrophobicContact CD1-CD1 4.49Å; G253-Y385 WeakPolarHBondContact O-CD1 3.42Å; G253-Y385 WeakPolarHBondContact O-CE1 3.33Å; G253-Y385 PolarHBondContact O-N 3.3Å; I255-Y385 HydrophobicContact CD1-CD1 4.2Å; I255-Y385 HydrophobicContact CD1-CE1 3.78Å; I255-Y385 HydrophobicContact CG1-CD1 4.4Å; I255-Y385 HydrophobicContact CG1-CE1 3.86Å; Y385-F387 HydrophobicContact CE2-CD2 4.12Å; Y385-F387 PolarHBondContact O-N 3.24Å
386Q55.1Low63.1Low150 Ų15077.2 Ų77.270%0.70137%0.369SS*.  trans-64.6105.5177.1-70.8-167-17.900110.1F201 K388F201-Q386 PolarHBondContact O-N 3.17Å; Q386-K388 PolarHBondContact O-N 2.8Å
387F54.8Low61.7Low108 Ų10881.5 Ų81.547%0.47439%0.389SS..  trans-77.3116170.5-167.4-98.8000108Y385 Q389 M390Y385-F387 HydrophobicContact CE2-CD2 4.12Å; Y385-F387 PolarHBondContact O-N 3.24Å; F387-Q389 PolarHBondContact O-N 3.3Å; F387-M390 HydrophobicContact CE1-CB 4.32Å
388K52.6Low60.3Low195 Ų19582.7 Ų82.785%0.84840%0.397SS*.  trans-61.4113.3160.6-78.6-174.1178.6-178.70106.1Q386 M390Q386-K388 PolarHBondContact O-N 2.8Å; K388-M390 PolarHBondContact O-N 2.88Å; K388-M390 VanDerWaalsContact O-N 3.14Å
389Q45.8Very low58.7Low183 Ų18385.2 Ų85.286%0.85541%0.413SS*.  trans-44.4126.6173.9-88.3178.9-14.500108.7F387 N391F387-Q389 PolarHBondContact O-N 3.3Å; Q389-N391 PolarHBondContact O-N 2.96Å; Q389-N391 VanDerWaalsContact O-N 3.13Å
390M48.5Very low57.5Low73 Ų7391.3 Ų91.336%0.3644%0.44SS..  trans-57.4123.1178-146.3173.7-160.900106.6F387 K388 L392 K394 L395 L398F387-M390 HydrophobicContact CE1-CB 4.32Å; K388-M390 PolarHBondContact O-N 2.88Å; K388-M390 VanDerWaalsContact O-N 3.14Å; M390-L392 PolarHBondContact O-N 3.07Å; M390-K394 HydrophobicContact CE-CD 4.09Å; M390-K394 HydrophobicContact CE-CG 4.2Å; M390-K394 HydrophobicContact CG-CB 4.24Å; M390-K394 HydrophobicContact CG-CD 4.42Å; M390-L395 HydrophobicContact SD-CD1 4.43Å; M390-L398 HydrophobicContact CE-CD1 3.2Å; M390-L398 HydrophobicContact SD-CD1 3.79Å
391N50.1Low56Low112 Ų11293.7 Ų93.760%0.59945%0.452SS*.  trans-50.5130.8176.8-174.1-5.1000108Q389 T393 K394 L395Q389-N391 PolarHBondContact O-N 2.96Å; Q389-N391 VanDerWaalsContact O-N 3.13Å; N391-T393 PolarHBondContact ND2-OG1 2.87Å; N391-T393 PolarHBondContact O-N 3.47Å; N391-T393 PolarHBondContact OD1-OG1 3.46Å; N391-T393 VanDerWaalsContact OD1-OG1 3.14Å; N391-K394 WeakPolarHBondContact O-CA 3.44Å; N391-K394 WeakPolarHBondContact O-CB 3.46Å; N391-K394 PolarHBondContact O-N 3.15Å; N391-L395 PolarHBondContact O-N 3.35Å
392L46.9Very low54.8Low121 Ų12199.9 Ų99.963%0.63448%0.479SS*.Hα-helixtrans-48.6-35.7-175.8-165.976.6000111.1M390 K394 L395 I396M390-L392 PolarHBondContact O-N 3.07Å; L392-K394 PolarHBondContact O-N 2.76Å; L392-L395 PolarHBondContact O-N 3.12Å; L392-I396 HydrophobicContact CD2-CD1 4.35Å; L392-I396 HydrophobicContact CG-CD1 4.05Å; L392-I396 WeakPolarHBondContact O-CB 3.43Å; L392-I396 VanDerWaalsContact O-CG1 3.22Å; L392-I396 WeakPolarHBondContact O-CG1 3.47Å; L392-I396 PolarHBondContact O-N 3.24Å
393T46.2Very low53.2Low95 Ų95106.2 Ų106.258%0.58350%0.502SS*.Hα-helixtrans-59.6-39.9175.4-17.90000113.4N391 H397N391-T393 PolarHBondContact ND2-OG1 2.87Å; N391-T393 PolarHBondContact O-N 3.47Å; N391-T393 PolarHBondContact OD1-OG1 3.46Å; N391-T393 VanDerWaalsContact OD1-OG1 3.14Å; T393-H397 WeakPolarHBondContact O-CB 3.46Å; T393-H397 PolarHBondContact O-N 3.02Å
394K49.8Very low52Low130 Ų130109.9 Ų109.957%0.56552%0.519SS*.Hα-helixtrans-75.6-34.7179.7-155.8176.1-170.8177.10111.4M390 N391 L392 H397 L398M390-K394 HydrophobicContact CE-CD 4.09Å; M390-K394 HydrophobicContact CE-CG 4.2Å; M390-K394 HydrophobicContact CG-CB 4.24Å; M390-K394 HydrophobicContact CG-CD 4.42Å; N391-K394 WeakPolarHBondContact O-CA 3.44Å; N391-K394 WeakPolarHBondContact O-CB 3.46Å; N391-K394 PolarHBondContact O-N 3.15Å; L392-K394 PolarHBondContact O-N 2.76Å; K394-H397 PolarHBondContact O-N 2.85Å; K394-L398 WeakPolarHBondContact O-CG 3.46Å; K394-L398 PolarHBondContact O-N 3.13Å
395L48.1Very low50.9Low76 Ų76107.2 Ų107.240%0.39851%0.507SS..Hα-helixtrans-66.4-45.1171.8-170.778.8000111.2M390 N391 L392 H397 L398 N399M390-L395 HydrophobicContact SD-CD1 4.43Å; N391-L395 PolarHBondContact O-N 3.35Å; L392-L395 PolarHBondContact O-N 3.12Å; L395-H397 VanDerWaalsContact C-N 3.3Å; L395-H397 PolarHBondContact O-N 3.23Å; L395-L398 PolarHBondContact O-N 3.25Å; L395-N399 WeakPolarHBondContact O-CB 3.34Å; L395-N399 PolarHBondContact O-N 3.03Å
396I48.2Very low50.1Low102 Ų102108.9 Ų108.952%0.52352%0.52SS..Hα-helixtrans-58.7-43.4174.2-69.5163.8000110.1L392 N399 K400L392-I396 HydrophobicContact CD2-CD1 4.35Å; L392-I396 HydrophobicContact CG-CD1 4.05Å; L392-I396 WeakPolarHBondContact O-CB 3.43Å; L392-I396 VanDerWaalsContact O-CG1 3.22Å; L392-I396 WeakPolarHBondContact O-CG1 3.47Å; L392-I396 PolarHBondContact O-N 3.24Å; I396-N399 PolarHBondContact O-N 3.47Å; I396-K400 WeakPolarHBondContact O-CB 3.45Å; I396-K400 PolarHBondContact O-N 3.31Å
397H51.5Low49.8Very low89 Ų89107 Ų10741%0.41252%0.515SS..Hα-helixtrans-64.6-41177-168.9-55.5000112.8T393 K394 L395 K400 L401T393-H397 WeakPolarHBondContact O-CB 3.46Å; T393-H397 PolarHBondContact O-N 3.02Å; K394-H397 PolarHBondContact O-N 2.85Å; L395-H397 VanDerWaalsContact C-N 3.3Å; L395-H397 PolarHBondContact O-N 3.23Å; H397-K400 PolarHBondContact O-N 2.82Å; H397-L401 WeakPolarHBondContact ND1-CD1 3.37Å; H397-L401 WeakPolarHBondContact O-CB 3.24Å; H397-L401 WeakPolarHBondContact O-CG 3.21Å; H397-L401 PolarHBondContact O-N 2.86Å
398L50.6Low49.3Very low62 Ų62108.7 Ų108.733%0.32552%0.524SS..Hα-helixtrans-69.3-39.2176.4-77.9170.2000112.4M390 K394 L395 K400 L401 K402M390-L398 HydrophobicContact CE-CD1 3.2Å; M390-L398 HydrophobicContact SD-CD1 3.79Å; K394-L398 WeakPolarHBondContact O-CG 3.46Å; K394-L398 PolarHBondContact O-N 3.13Å; L395-L398 PolarHBondContact O-N 3.25Å; L398-K400 VanDerWaalsContact C-N 3.34Å; L398-L401 HydrophobicContact CD2-CD1 4.36Å; L398-L401 WeakPolarHBondContact O-CB 3.27Å; L398-L401 PolarHBondContact O-N 3.46Å; L398-K402 WeakPolarHBondContact O-CB 3.45Å; L398-K402 PolarHBondContact O-N 2.79Å
399N49.4Very low48.9Very low85 Ų85105.2 Ų105.246%0.45552%0.519SS..Hα-helixtrans-67.4-37.5174.4-77.6-16.5000111.2L395 I396 K402 Y403L395-N399 WeakPolarHBondContact O-CB 3.34Å; L395-N399 PolarHBondContact O-N 3.03Å; I396-N399 PolarHBondContact O-N 3.47Å; N399-K402 WeakPolarHBondContact O-CB 3.13Å; N399-K402 PolarHBondContact O-N 3.45Å; N399-Y403 WeakPolarHBondContact O-CB 3.19Å; N399-Y403 PolarHBondContact O-N 3.4Å
400K52.1Low49.4Very low129 Ų129103.4 Ų103.456%0.56151%0.509SS*.Hα-helixtrans-62.2-46.2172-170.2-178.3-179.2-167.80110.9I396 H397 L398 K402 Y403 E404I396-K400 WeakPolarHBondContact O-CB 3.45Å; I396-K400 PolarHBondContact O-N 3.31Å; H397-K400 PolarHBondContact O-N 2.82Å; L398-K400 VanDerWaalsContact C-N 3.34Å; K400-K402 VanDerWaalsContact C-N 3.34Å; K400-K402 PolarHBondContact O-N 2.95Å; K400-Y403 CarbonylContact O-C 3.54Å; K400-Y403 PolarHBondContact O-N 3.42Å; K400-Y403 VanDerWaalsContact O-N 3.13Å; K400-E404 WeakPolarHBondContact CE-OE1 3.22Å; K400-E404 IonicContact NZ-OE1 3.82Å; K400-E404 WeakPolarHBondContact O-CB 3.17Å; K400-E404 WeakPolarHBondContact O-CG 3.49Å; K400-E404 PolarHBondContact O-N 3.29Å
401L52.4Low49.7Very low62 Ų62103.7 Ų103.733%0.32551%0.514SS..Hα-helixtrans-58.2-44.5172.3-80.1166.7000111.7H397 L398 Y403 E404 M405H397-L401 WeakPolarHBondContact ND1-CD1 3.37Å; H397-L401 WeakPolarHBondContact O-CB 3.24Å; H397-L401 WeakPolarHBondContact O-CG 3.21Å; H397-L401 PolarHBondContact O-N 2.86Å; L398-L401 HydrophobicContact CD2-CD1 4.36Å; L398-L401 WeakPolarHBondContact O-CB 3.27Å; L398-L401 PolarHBondContact O-N 3.46Å; L401-Y403 VanDerWaalsContact C-N 3.29Å; L401-Y403 PolarHBondContact O-N 2.93Å; L401-E404 PolarHBondContact O-N 3.23Å; L401-M405 WeakPolarHBondContact O-CB 3.44Å; L401-M405 WeakPolarHBondContact O-CG 3.25Å; L401-M405 PolarHBondContact O-N 2.94Å
402K51.9Low50.2Low130 Ų130100.2 Ų100.257%0.56549%0.494SS*.Hα-helixtrans-62.2-35.9175.7-173.5-176.3177.4-174.70112.2L398 N399 K400 M405 L406L398-K402 WeakPolarHBondContact O-CB 3.45Å; L398-K402 PolarHBondContact O-N 2.79Å; N399-K402 WeakPolarHBondContact O-CB 3.13Å; N399-K402 PolarHBondContact O-N 3.45Å; K400-K402 VanDerWaalsContact C-N 3.34Å; K400-K402 PolarHBondContact O-N 2.95Å; K402-M405 WeakPolarHBondContact O-CB 3.4Å; K402-L406 PolarHBondContact O-N 3.41Å
403Y47.8Very low50.7Low168 Ų16898.8 Ų98.866%0.65949%0.486SS*.Hα-helixtrans-74.5-40.3177.1-135.3-83.6000111.8N399 K400 L401 M405 L406 N407N399-Y403 WeakPolarHBondContact O-CB 3.19Å; N399-Y403 PolarHBondContact O-N 3.4Å; K400-Y403 CarbonylContact O-C 3.54Å; K400-Y403 PolarHBondContact O-N 3.42Å; K400-Y403 VanDerWaalsContact O-N 3.13Å; L401-Y403 VanDerWaalsContact C-N 3.29Å; L401-Y403 PolarHBondContact O-N 2.93Å; Y403-M405 VanDerWaalsContact C-N 3.28Å; Y403-M405 PolarHBondContact O-N 3.25Å; Y403-L406 PolarHBondContact O-N 2.7Å; Y403-L406 VanDerWaalsContact O-N 3.16Å; Y403-N407 PolarHBondContact O-N 3Å
404E50.8Low51.4Low80 Ų8095.8 Ų95.837%0.37447%0.466SS..Hα-helixtrans-61.9-36.9170.9-73.1170.6-179.500110.8K400 L401 L406 N407 Q408K400-E404 WeakPolarHBondContact CE-OE1 3.22Å; K400-E404 IonicContact NZ-OE1 3.82Å; K400-E404 WeakPolarHBondContact O-CB 3.17Å; K400-E404 WeakPolarHBondContact O-CG 3.49Å; K400-E404 PolarHBondContact O-N 3.29Å; L401-E404 PolarHBondContact O-N 3.23Å; E404-L406 VanDerWaalsContact C-N 3.27Å; E404-L406 PolarHBondContact O-N 3.38Å; E404-N407 PolarHBondContact O-N 3.5Å; E404-Q408 PolarHBondContact O-N 2.98Å; E404-Q408 VanDerWaalsContact O-N 3.14Å
405M49.4Very low51.8Low40 Ų4094.7 Ų94.720%0.19746%0.463CS..Hα-helixtrans-62.4-27.8173.2-77.5175.318000113.9L401 K402 Y403 F412 L437L401-M405 WeakPolarHBondContact O-CB 3.44Å; L401-M405 WeakPolarHBondContact O-CG 3.25Å; L401-M405 PolarHBondContact O-N 2.94Å; K402-M405 WeakPolarHBondContact O-CB 3.4Å; Y403-M405 VanDerWaalsContact C-N 3.28Å; Y403-M405 PolarHBondContact O-N 3.25Å; M405-F412 HydrophobicContact CB-CE1 4.44Å; M405-F412 HydrophobicContact CB-CZ 4.41Å; M405-F412 HydrophobicContact CG-CD1 4.41Å; M405-F412 HydrophobicContact CG-CE1 4.03Å; M405-F412 HydrophobicContact CG-CZ 4.3Å; M405-L437 HydrophobicContact CE-CD2 3.45Å; M405-L437 VanDerWaalsContact CE-CD2 3.45Å; M405-L437 HydrophobicContact SD-CD2 3.85Å
406L50.6Low52.1Low97 Ų9792.8 Ų92.851%0.50846%0.456SS..Hα-helixtrans-82.5-24.4176.5-73.8164.5000112.5K402 Y403 E404K402-L406 PolarHBondContact O-N 3.41Å; Y403-L406 PolarHBondContact O-N 2.7Å; Y403-L406 VanDerWaalsContact O-N 3.16Å; E404-L406 VanDerWaalsContact C-N 3.27Å; E404-L406 PolarHBondContact O-N 3.38Å
407N48.7Very low52Low110 Ų11091.9 Ų91.959%0.58846%0.455SS*.Hα-helixtrans-111.8-11.2-166.8-86.41.7000116.3Y403 E404Y403-N407 PolarHBondContact O-N 3Å; E404-N407 PolarHBondContact O-N 3.5Å
408Q44.4Very low51.5Low144 Ų14492.4 Ų92.467%0.67346%0.458SS*.  trans-125129.7-176.7-68.3-172-2.800114.9E404 F412E404-Q408 PolarHBondContact O-N 2.98Å; E404-Q408 VanDerWaalsContact O-N 3.14Å; Q408-F412 WeakPolarHBondContact O-CZ 3.3Å
409T44.8Very low50.9Low121 Ų12198.1 Ų98.174%0.74248%0.482SS*.  trans-86.5122.8-176.353.40000111.9
410K55.5Low50.1Low146 Ų146101.4 Ų101.464%0.63550%0.495SS*.SBendtrans135.9-45.9134.8-73.9175.5-179.8178.70115.1S443K410-S443 PolarHBondContact O-OG 3.19Å
411T53.9Low49.2Very low78 Ų78102.1 Ų102.148%0.47951%0.505SS..  trans-151.5123-174.948.50000111S443T411-S443 WeakPolarHBondContact CA-O 3.4Å; T411-S443 WeakPolarHBondContact CG2-OG 3.45Å
412F61.2Low48.3Very low40 Ų40108.3 Ų108.318%0.17553%0.529CS..EExtended strand (participates in β ladder)trans-100.6121.6176.7-67.5-80.7000111.4M405 Q408 S443 L444 I445M405-F412 HydrophobicContact CB-CE1 4.44Å; M405-F412 HydrophobicContact CB-CZ 4.41Å; M405-F412 HydrophobicContact CG-CD1 4.41Å; M405-F412 HydrophobicContact CG-CE1 4.03Å; M405-F412 HydrophobicContact CG-CZ 4.3Å; Q408-F412 WeakPolarHBondContact O-CZ 3.3Å; F412-S443 PolarHBondContact N-O 3.38Å; F412-L444 HydrophobicContact CB-CD1 4.32Å; F412-I445 PolarHBondContact O-N 2.96Å
413I56.8Low47.4Very low90 Ų90107.3 Ų107.346%0.46253%0.53SS..EExtended strand (participates in β ladder)trans-103.1114.6176.9-60.6174.1000108.5I445 K447I413-I445 HydrophobicContact CG1-CB 4.29Å; I413-I445 HydrophobicContact CG1-CD1 4.3Å; I413-K447 HydrophobicContact CG2-CD 3.51Å; I413-K447 HydrophobicContact CG2-CG 3.88Å
414I62.2Low46.9Very low32 Ų32108.4 Ų108.416%0.16454%0.538CS..EExtended strand (participates in β ladder)trans-96.9115172.9-56.7-179.8000108.2I435 L444 I445 L446 K447 Y543I414-I435 HydrophobicContact CD1-CB 4.48Å; I414-I435 HydrophobicContact CD1-CD1 3.34Å; I414-I435 HydrophobicContact CD1-CG1 3.74Å; I414-I435 HydrophobicContact CD1-CG2 3.89Å; I414-I435 HydrophobicContact CG2-CD1 4.47Å; I414-L444 HydrophobicContact CD1-CD1 3.68Å; I414-L444 HydrophobicContact CG1-CD1 4.08Å; I414-I445 PolarHBondContact N-O 3.26Å; I414-L446 HydrophobicContact CB-CD2 4.43Å; I414-L446 HydrophobicContact CD1-CD2 4.23Å; I414-K447 WeakPolarHBondContact O-CB 3.4Å; I414-K447 PolarHBondContact O-N 3.19Å; I414-K447 VanDerWaalsContact O-N 3.12Å; I414-Y543 HydrophobicContact CB-CE1 4.44Å; I414-Y543 HydrophobicContact CG2-CE1 3.67Å; I414-Y543 PolarHBondContact O-OH 2.9Å
415Q58.7Low46.1Very low108 Ų108110.9 Ų110.951%0.50555%0.554SS.*  trans-116.3147.1173.664.2-172.91.200110.1T417 K447Q415-T417 PolarHBondContact O-N 3.43Å; Q415-K447 HydrophobicContact CB-CD 4.11Å
416S54Low45.3Very low36 Ų36113.5 Ų113.525%0.25257%0.569SS.*  trans-63.5118.1173.9178.20000110
417T44.6Very low44.5Very low83 Ų83116.6 Ų116.651%0.50958%0.575SS.*  trans-80.3121.2169.248.50000109.4Q415 H419Q415-T417 PolarHBondContact O-N 3.43Å; T417-H419 PolarHBondContact O-N 2.97Å
418H42.9Very low43.9Very low99 Ų99117.9 Ų117.946%0.45858%0.577SS.*  trans-68.7109.6-177.9-146.267.9000109.8S451 N452H418-S451 PolarHBondContact CE1-OG 2.8Å; H418-S451 PolarHBondContact ND1-OG 3.49Å; H418-N452 PolarHBondContact CE1-OD1 3.46Å; H418-N452 VanDerWaalsContact CE1-OD1 3.27Å
419H37.2Very low43.7Very low183 Ų183118.7 Ų118.785%0.84758%0.58SS**  trans-81.6109.3153.1-96.7-58.7000107.1T417 N421T417-H419 PolarHBondContact O-N 2.97Å; H419-N421 VanDerWaalsContact C-N 3.34Å; H419-N421 PolarHBondContact O-N 3.45Å
420H32.8Very low44Very low154 Ų154116.3 Ų116.371%0.71356%0.562SS**  trans-50.597.6163-101.1-63.5000109.4
421N32.8Very low43.9Very low144 Ų144111.7 Ų111.777%0.7755%0.547SS*.  trans-115.3110.5151.3-113.70.3000106.6H419 N423H419-N421 VanDerWaalsContact C-N 3.34Å; H419-N421 PolarHBondContact O-N 3.45Å; N421-N423 PolarHBondContact O-N 3Å
422K33.7Very low43.7Very low192 Ų192113.3 Ų113.384%0.83555%0.552SS**  trans-73.525.3-172.6-123.4177.3-175.9177.70113K424K422-K424 PolarHBondContact O-N 2.98Å
423N33.7Very low43.5Very low109 Ų109114 Ų11458%0.58356%0.555SS**  trans-90.3105.7174.7-742.9000108.3N421 D425N421-N423 PolarHBondContact O-N 3Å; N423-D425 PolarHBondContact O-N 3.43Å; N423-D425 VanDerWaalsContact O-N 3.13Å
424K36.1Very low43.5Very low190 Ų190113.4 Ų113.483%0.82655%0.553SS**THydrogen-bonded Turntrans-69.9-2.7-172-121.3176.4179.3179.50114.5K422K422-K424 PolarHBondContact O-N 2.98Å
425D33.7Very low43.5Very low132 Ų132112.5 Ų112.571%0.70655%0.549SS*.THydrogen-bonded Turntrans-1250.6-171-61.6-45.3000115.3N423 Y427N423-D425 PolarHBondContact O-N 3.43Å; N423-D425 VanDerWaalsContact O-N 3.13Å; D425-Y427 VanDerWaalsContact C-N 3.31Å; D425-Y427 PolarHBondContact O-N 3.4Å
426D33.7Very low43.5Very low96 Ų96113.8 Ų113.851%0.51355%0.55SS..  trans-85.968.3178-74.7-34.7000112.2H428D426-H428 PolarHBondContact O-N 2.95Å
427Y34.2Very low44Very low161 Ų161112.3 Ų112.363%0.63154%0.539SS*.THydrogen-bonded Turntrans-68.313.1163.6-73.3-78.9000113D425 K453D425-Y427 VanDerWaalsContact C-N 3.31Å; D425-Y427 PolarHBondContact O-N 3.4Å; Y427-K453 PolarHBondContact OH-NZ 2.93Å; Y427-K453 VanDerWaalsContact OH-NZ 3.08Å
428H35.9Very low44.9Very low137 Ų137110.4 Ų110.463%0.63453%0.526SS*.THydrogen-bonded Turntrans-96.2-9.6-168.6-72-42.1000115.8D426D426-H428 PolarHBondContact O-N 2.95Å
429H40.2Very low45.8Very low161 Ų161107.3 Ų107.375%0.74551%0.511SS*.  trans-113.5101.4-179.6-67.3-45.1000111.6P431H429-P431 WeakPolarHBondContact O-CD 3.5Å
430I50.6Low46.9Very low71 Ų71105.7 Ų105.736%0.36450%0.499SS..  trans-67118.7164.4-59.9167.2000107I432 P539 V542I430-I432 PolarHBondContact O-N 3.12Å; I430-P539 HydrophobicContact CD1-CG 4.01Å; I430-V542 HydrophobicContact CG2-CB 3.77Å; I430-V542 HydrophobicContact CG2-CG2 3.4Å
431P52.9Low48.3Very low49 Ų49101.1 Ų101.132%0.31848%0.478SS..  trans-73.4105.9176.829.3-32.3000109.3H429 H433 I541H429-P431 WeakPolarHBondContact O-CD 3.5Å; P431-H433 PolarHBondContact O-ND1 3.04Å; P431-I541 HydrophobicContact CG-CG1 4.36Å
432I49.4Very low49.8Very low112 Ų11299.9 Ų99.957%0.57447%0.467SS*.EExtended strand (participates in β ladder)trans-83.8116.5172.1-58.4173.5000108.5I430 V542 H544I430-I432 PolarHBondContact O-N 3.12Å; I432-V542 WeakPolarHBondContact CA-O 3.03Å; I432-H544 HydrophobicContact CG2-CB 4.4Å
433H58.4Low51.6Low55 Ų5591.2 Ų91.226%0.25543%0.431SS..EExtended strand (participates in β ladder)trans-103.2113.4173.5-66.584.1000109.4P431 V542 Y543 H544P431-H433 PolarHBondContact O-ND1 3.04Å; H433-V542 PolarHBondContact N-O 2.83Å; H433-Y543 HydrophobicContact CB-CD1 3.86Å; H433-Y543 HydrophobicContact CB-CE1 4.13Å; H433-H544 PolarHBondContact O-N 2.9Å
434N55.1Low53.7Low77 Ų7786.1 Ų86.141%0.41240%0.404SS..EExtended strand (participates in β ladder)trans-82116.9170.1-68.3-31.4000108.4Y436 H544N434-Y436 HydrophobicContact CB-CE2 3.89Å; N434-H544 WeakPolarHBondContact CA-O 3.34Å; N434-H544 WeakPolarHBondContact OD1-CB 3.39Å; N434-H544 PolarHBondContact OD1-ND1 2.87Å
435I62.1Low55.8Low14 Ų1477.8 Ų77.87%0.07237%0.368CS..EExtended strand (participates in β ladder)trans-111.6114.3-179-62.2159.2000107.7I414 L437 L446 Y543 H544 L545 Y546I414-I435 HydrophobicContact CD1-CB 4.48Å; I414-I435 HydrophobicContact CD1-CD1 3.34Å; I414-I435 HydrophobicContact CD1-CG1 3.74Å; I414-I435 HydrophobicContact CD1-CG2 3.89Å; I414-I435 HydrophobicContact CG2-CD1 4.47Å; I435-L437 HydrophobicContact CG2-CD1 3.64Å; I435-L437 HydrophobicContact CG2-CD2 4.25Å; I435-L437 HydrophobicContact CG2-CG 3.64Å; I435-L446 HydrophobicContact CD1-CD2 3.88Å; I435-Y543 HydrophobicContact CD1-CD1 3.48Å; I435-Y543 VanDerWaalsContact CD1-CD1 3.48Å; I435-Y543 HydrophobicContact CD1-CE1 4.2Å; I435-Y543 HydrophobicContact CD1-CG 4.23Å; I435-H544 PolarHBondContact N-O 3.38Å; I435-L545 HydrophobicContact CB-CD1 3.84Å; I435-L545 HydrophobicContact CD1-CD1 4.36Å; I435-L545 HydrophobicContact CG2-CD1 3.72Å; I435-Y546 PolarHBondContact O-N 2.04Å
436Y60.2Low58.1Low134 Ų13471.5 Ų71.553%0.52534%0.335SS..EExtended strand (participates in β ladder)trans-97.2113.7176.1-63.6-89.5000108.6N434 Y546N434-Y436 HydrophobicContact CB-CE2 3.89Å; Y436-Y546 CarbonylContact C-O 3.59Å; Y436-Y546 VanDerWaalsContact CA-O 3.29Å; Y436-Y546 WeakPolarHBondContact CA-O 3.4Å; Y436-Y546 AromaticContact CD1-CD1 3.62Å; Y436-Y546 HydrophobicContact CD1-CD1 3.62Å; Y436-Y546 HydrophobicContact CD1-CE1 4.45Å; Y436-Y546 HydrophobicContact CD1-CG 4.2Å; Y436-Y546 AromaticContact CE1-CD1 3.91Å; Y436-Y546 HydrophobicContact CE1-CD1 3.91Å; Y436-Y546 HydrophobicContact CE1-CG 4.23Å
437L64.9Low60.3Low5 Ų569.2 Ų69.23%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-123.2160.8-178.7-70166000111.4M405 I435 L444 L513 L545 Y546 I547 Q548M405-L437 HydrophobicContact CE-CD2 3.45Å; M405-L437 VanDerWaalsContact CE-CD2 3.45Å; M405-L437 HydrophobicContact SD-CD2 3.85Å; I435-L437 HydrophobicContact CG2-CD1 3.64Å; I435-L437 HydrophobicContact CG2-CD2 4.25Å; I435-L437 HydrophobicContact CG2-CG 3.64Å; L437-L444 HydrophobicContact CD1-CD1 4.16Å; L437-L444 HydrophobicContact CD1-CD2 3.62Å; L437-L444 HydrophobicContact CD1-CG 4.38Å; L437-L513 HydrophobicContact CB-CD1 4.25Å; L437-L513 HydrophobicContact CD1-CD1 3.66Å; L437-L513 HydrophobicContact CD1-CD2 4.15Å; L437-L513 HydrophobicContact CD2-CD1 4.5Å; L437-L513 HydrophobicContact CG-CD1 4.35Å; L437-L545 HydrophobicContact CD1-CD1 3.56Å; L437-Y546 PolarHBondContact N-O 3.43Å; L437-I547 HydrophobicContact CB-CG1 4.29Å; L437-I547 CarbonylContact O-C 3.59Å; L437-I547 VanDerWaalsContact O-CA 3.29Å; L437-I547 WeakPolarHBondContact O-CA 2.99Å; L437-Q548 PolarHBondContact O-N 3.47Å
438N62.4Low62.3Low44 Ų4461.9 Ų61.924%0.23529%0.292CS..EExtended strand (participates in β ladder)trans-96.3139.1177.4-66.1-7.7000109.2H441 Q548 V550N438-H441 WeakPolarHBondContact CB-CD2 3.3Å; N438-H441 VanDerWaalsContact CB-NE2 3.32Å; N438-H441 WeakPolarHBondContact CB-NE2 3.35Å; N438-H441 PolarHBondContact O-CD2 3.09Å; N438-H441 PolarHBondContact O-N 3.07Å; N438-Q548 CarbonylContact C-O 3.59Å; N438-Q548 WeakPolarHBondContact CA-O 3.38Å; N438-V550 HydrophobicContact CB-CG2 4.01Å; N438-V550 WeakPolarHBondContact ND2-CG2 3.16Å; N438-V550 WeakPolarHBondContact OD1-CG2 3.05Å
439E61.5Low63.9Low33 Ų3359 Ų5915%0.15428%0.282CS..THydrogen-bonded Turntrans-59.8141.5175.5-162171.1-156.400110.9H441 R515 I547 Q548E439-H441 VanDerWaalsContact C-N 3.32Å; E439-H441 PolarHBondContact O-N 3.5Å; E439-R515 VanDerWaalsContact CD-CG 3.45Å; E439-R515 HydrophobicContact CG-CG 4.21Å; E439-R515 WeakPolarHBondContact OE1-CB 3.31Å; E439-R515 WeakPolarHBondContact OE1-CD 3.18Å; E439-R515 VanDerWaalsContact OE1-CG 3.27Å; E439-R515 WeakPolarHBondContact OE1-CG 3.46Å; E439-R515 PolarHBondContact OE1-N 3.05Å; E439-R515 VanDerWaalsContact OE2-CD 3.22Å; E439-R515 WeakPolarHBondContact OE2-CD 3.45Å; E439-R515 IonicContact OE2-NE 3.89Å; E439-R515 PolarHBondContact OE2-NE 2.86Å; E439-R515 VanDerWaalsContact OE2-NE 3.13Å; E439-I547 HydrophobicContact CB-CG2 4.04Å; E439-Q548 PolarHBondContact N-O 3.33Å
440Y60.8Low64.8Low149 Ų14953.8 Ų53.858%0.58426%0.259SS*.THydrogen-bonded Turntrans69.812.8-177.8-48.5-74.7000116.9L513Y440-L513 PolarHBondContact N-O 3.4Å
441H61.4Low64.9Low59 Ų5953.8 Ų53.827%0.27327%0.266SS..  trans-68.7150.5170-85.6-109.3000112.4N438 E439 L513N438-H441 WeakPolarHBondContact CB-CD2 3.3Å; N438-H441 VanDerWaalsContact CB-NE2 3.32Å; N438-H441 WeakPolarHBondContact CB-NE2 3.35Å; N438-H441 PolarHBondContact O-CD2 3.09Å; N438-H441 PolarHBondContact O-N 3.07Å; E439-H441 VanDerWaalsContact C-N 3.32Å; E439-H441 PolarHBondContact O-N 3.5Å; H441-L513 HydrophobicContact CB-CD1 4.1Å; H441-L513 PolarHBondContact O-N 3.41Å
442Q65Low64.8Low117 Ų11756.9 Ų56.955%0.54728%0.28SS..EExtended strand (participates in β ladder)trans-75.1150.1179.3-69.8-177.2-3.200111.8
443S71.1Confident64.7Low11 Ų1157.8 Ų57.88%0.07728%0.279CS..EExtended strand (participates in β ladder)trans-23.2136-160.164.60000120.4K410 T411 F412 F510 D511K410-S443 PolarHBondContact O-OG 3.19Å; T411-S443 WeakPolarHBondContact CA-O 3.4Å; T411-S443 WeakPolarHBondContact CG2-OG 3.45Å; F412-S443 PolarHBondContact N-O 3.38Å; S443-F510 CarbonylContact C-O 3.58Å; S443-F510 WeakPolarHBondContact CA-O 3.43Å; S443-F510 WeakPolarHBondContact CB-O 3.41Å; S443-D511 VanDerWaalsContact CA-O 3.31Å; S443-D511 WeakPolarHBondContact CA-O 3.49Å; S443-D511 WeakPolarHBondContact CB-O 3.32Å; S443-D511 PolarHBondContact N-O 3.31Å; S443-D511 VanDerWaalsContact N-O 3.14Å
444L78Confident64Low1 Ų160.3 Ų60.31%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-108.4136.8174.1175.471.8000110F412 I414 L437 L446 K509 F510 L513 L545F412-L444 HydrophobicContact CB-CD1 4.32Å; I414-L444 HydrophobicContact CD1-CD1 3.68Å; I414-L444 HydrophobicContact CG1-CD1 4.08Å; L437-L444 HydrophobicContact CD1-CD1 4.16Å; L437-L444 HydrophobicContact CD1-CD2 3.62Å; L437-L444 HydrophobicContact CD1-CG 4.38Å; L444-L446 HydrophobicContact CD1-CD2 4.3Å; L444-L446 HydrophobicContact CD2-CD2 3.97Å; L444-L446 HydrophobicContact CD2-CG 4.38Å; L444-L446 HydrophobicContact CG-CD2 4.12Å; L444-K509 CarbonylContact O-C 3.51Å; L444-K509 WeakPolarHBondContact O-CA 3.28Å; L444-F510 HydrophobicContact CB-CB 4.12Å; L444-F510 HydrophobicContact CB-CD2 4Å; L444-F510 HydrophobicContact CB-CG 4.36Å; L444-F510 HydrophobicContact CD2-CD2 3.83Å; L444-F510 HydrophobicContact CD2-CE2 4.06Å; L444-F510 HydrophobicContact CD2-CG 4.48Å; L444-F510 HydrophobicContact CG-CD2 4.07Å; L444-F510 PolarHBondContact N-O 3.45Å; L444-F510 PolarHBondContact O-N 2.87Å; L444-L513 HydrophobicContact CB-CD1 4.15Å; L444-L513 HydrophobicContact CB-CD2 4.04Å; L444-L513 HydrophobicContact CB-CG 4.32Å; L444-L513 HydrophobicContact CD2-CD2 3.96Å; L444-L545 HydrophobicContact CD2-CD1 3.74Å; L444-L545 HydrophobicContact CD2-CD2 4.17Å
445I80.7Confident63.6Low16 Ų1667.5 Ų67.58%0.08233%0.326CS..EExtended strand (participates in β ladder)trans-123.4118.8174.2-60.6175.7000108.4F412 I413 I414 E507 L508 K509F412-I445 PolarHBondContact O-N 2.96Å; I413-I445 HydrophobicContact CG1-CB 4.29Å; I413-I445 HydrophobicContact CG1-CD1 4.3Å; I414-I445 PolarHBondContact N-O 3.26Å; I445-E507 HydrophobicContact CG2-CB 3.68Å; I445-E507 HydrophobicContact CG2-CG 4.21Å; I445-E507 VanDerWaalsContact CG2-OE2 3.22Å; I445-E507 WeakPolarHBondContact CG2-OE2 3.44Å; I445-L508 WeakPolarHBondContact CA-O 3.47Å; I445-K509 HydrophobicContact CD1-CD 4.21Å; I445-K509 HydrophobicContact CG1-CB 4.27Å; I445-K509 HydrophobicContact CG1-CD 4.08Å; I445-K509 HydrophobicContact CG1-CG 3.91Å
446L82.6Confident63.3Low0 Ų074.8 Ų74.80%036%0.357CS..EExtended strand (participates in β ladder)trans-95116.9171.8-54.9-179.9000109.1I414 I435 L444 W470 E507 L508 F510 Y521 Y543I414-L446 HydrophobicContact CB-CD2 4.43Å; I414-L446 HydrophobicContact CD1-CD2 4.23Å; I435-L446 HydrophobicContact CD1-CD2 3.88Å; L444-L446 HydrophobicContact CD1-CD2 4.3Å; L444-L446 HydrophobicContact CD2-CD2 3.97Å; L444-L446 HydrophobicContact CD2-CG 4.38Å; L444-L446 HydrophobicContact CG-CD2 4.12Å; L446-W470 HydrophobicContact CB-CH2 3.82Å; L446-W470 HydrophobicContact CB-CZ2 4.13Å; L446-W470 HydrophobicContact CD1-CH2 4.49Å; L446-W470 HydrophobicContact CD1-CZ3 4.49Å; L446-W470 WeakPolarHBondContact O-CZ2 3.47Å; L446-E507 WeakPolarHBondContact O-CA 3.31Å; L446-L508 HydrophobicContact CB-CB 4.23Å; L446-L508 HydrophobicContact CD1-CD2 4.18Å; L446-L508 PolarHBondContact N-O 2.87Å; L446-L508 PolarHBondContact O-N 2.86Å; L446-F510 HydrophobicContact CD1-CE2 3.89Å; L446-F510 HydrophobicContact CD1-CZ 4.43Å; L446-F510 HydrophobicContact CG-CE2 4.1Å; L446-Y521 HydrophobicContact CD1-CD2 4.36Å; L446-Y521 HydrophobicContact CD1-CG 4.27Å; L446-Y543 HydrophobicContact CB-CD2 4.14Å; L446-Y543 HydrophobicContact CB-CE2 4.1Å; L446-Y543 HydrophobicContact CD1-CD2 4.07Å; L446-Y543 HydrophobicContact CD1-CG 4.11Å; L446-Y543 HydrophobicContact CD2-CD1 4.18Å; L446-Y543 HydrophobicContact CD2-CD2 4.38Å; L446-Y543 HydrophobicContact CD2-CE1 4.45Å; L446-Y543 HydrophobicContact CD2-CG 4.11Å; L446-Y543 HydrophobicContact CG-CD2 4.44Å
447K79.8Confident63.3Low47 Ų4776 Ų7620%0.20437%0.368CS..  trans-81.6133.6173.9-78.1-176.9167.2-179.40111.2I413 I414 Q415 E507 Y543I413-K447 HydrophobicContact CG2-CD 3.51Å; I413-K447 HydrophobicContact CG2-CG 3.88Å; I414-K447 WeakPolarHBondContact O-CB 3.4Å; I414-K447 PolarHBondContact O-N 3.19Å; I414-K447 VanDerWaalsContact O-N 3.12Å; Q415-K447 HydrophobicContact CB-CD 4.11Å; K447-E507 WeakPolarHBondContact CE-OE1 3.48Å; K447-E507 HydrophobicContact CG-CG 4.12Å; K447-E507 VanDerWaalsContact CG-OE1 3.29Å; K447-E507 WeakPolarHBondContact CG-OE1 3.49Å; K447-Y543 PolarHBondContact O-OH 3.45Å
448C74.9Confident63.5Low7 Ų777 Ų775%0.04737%0.373CS..  trans-94.591.2164.3-171.80000108.2L458 W470 C523C448-L458 WeakPolarHBondContact O-CD1 3.38Å; C448-W470 HydrophobicContact CB-CZ2 3.72Å; C448-C523 HydrophobicContact CB-CB 3.79Å; C448-C523 WeakPolarHBondContact CB-SG 3.45Å; C448-C523 WeakPolarHBondContact SG-CB 3.33Å; C448-C523 CovalentContact SG-SG 2.01Å; C448-C523 PolarHBondContact SG-SG 3.29Å
449D69.1Low63.8Low77 Ų7778.7 Ų78.741%0.41238%0.382SS..  trans-117.6125.6-176.2-134.6-17.9000110.7
450N60.5Low64.3Low52 Ų5277.1 Ų77.128%0.27838%0.375SS..  trans-102.280.3173.5-175.114.1000109.2N452 K453 I540N450-N452 PolarHBondContact O-N 3.3Å; N450-N452 PolarHBondContact OD1-N 3.45Å; N450-K453 PolarHBondContact O-N 2.79Å; N450-I540 HydrophobicContact CB-CD1 4.27Å; N450-I540 HydrophobicContact CB-CG2 4.33Å
451S51.8Low64.6Low71 Ų7174 Ų7450%0.49737%0.372SS..THydrogen-bonded Turntrans-53.9-16.6-179.556.30000114.9H418H418-S451 PolarHBondContact CE1-OG 2.8Å; H418-S451 PolarHBondContact ND1-OG 3.49Å
452N50.1Low64.8Low114 Ų11475.3 Ų75.361%0.6138%0.381SS*.THydrogen-bonded Turntrans-93.3-18.2-173.8-82.9-14.3000116.6H418 N450H418-N452 PolarHBondContact CE1-OD1 3.46Å; H418-N452 VanDerWaalsContact CE1-OD1 3.27Å; N450-N452 PolarHBondContact O-N 3.3Å; N450-N452 PolarHBondContact OD1-N 3.45Å
453K47.3Very low64.7Low130 Ų13075.6 Ų75.657%0.56538%0.38SS*.SBendtrans-143.3110.5-179.6-77.3-177.6176.6169.50111Y427 N450Y427-K453 PolarHBondContact OH-NZ 2.93Å; Y427-K453 VanDerWaalsContact OH-NZ 3.08Å; N450-K453 PolarHBondContact O-N 2.79Å
454T45.4Very low64.2Low108 Ų10882.8 Ų82.866%0.66341%0.414SS*.  trans80.6116.9170.373.10000116K456T454-K456 PolarHBondContact O-N 3.02Å
455K46.8Very low63.6Low228 Ų22885.9 Ų85.999%0.99143%0.431SS*.  trans-62.719162.2-72.4-178.9173-179.50113.1Q457K455-Q457 PolarHBondContact O-N 3.08Å
456K55.2Low63.1Low168 Ų16886.3 Ų86.373%0.7343%0.434SS*.PPolyproline II helixtrans-79.8117.4176.5-86.7-172.5173.6-177.80107.5T454 L458T454-K456 PolarHBondContact O-N 3.02Å; K456-L458 PolarHBondContact O-N 3.16Å
457Q60.2Low62.6Low159 Ų15989.3 Ų89.374%0.74345%0.45SS*.PPolyproline II helixtrans-52.7126.4169.5-171.5170.9-1.700108.8K455 N459 D505K455-Q457 PolarHBondContact O-N 3.08Å; Q457-N459 PolarHBondContact O-N 2.98Å; Q457-D505 PolarHBondContact NE2-OD1 3.12Å; Q457-D505 VanDerWaalsContact NE2-OD1 3.12Å
458L68.9Low62.5Low26 Ų2687 Ų8714%0.13644%0.441CS..PPolyproline II helixtrans-67.4132.1177.2-62.9176.8000108.7C448 K456 N467 C506 M525C448-L458 WeakPolarHBondContact O-CD1 3.38Å; K456-L458 PolarHBondContact O-N 3.16Å; L458-N467 HydrophobicContact CD2-CB 4.19Å; L458-C506 HydrophobicContact CB-CB 4.26Å; L458-M525 HydrophobicContact CD1-SD 3.98Å; L458-M525 HydrophobicContact CD2-CE 3.29Å; L458-M525 HydrophobicContact CD2-SD 3.44Å; L458-M525 WeakPolarHBondContact CD2-SD 3.38Å; L458-M525 HydrophobicContact CG-SD 4.37Å
459N68.1Low62.6Low79 Ų7988 Ų8842%0.42244%0.443SS..  trans-122.5112.5179.3-169.3-13.6000109.7Q457 T461 N467Q457-N459 PolarHBondContact O-N 2.98Å; N459-T461 VanDerWaalsContact OD1-CB 3.27Å; N459-T461 WeakPolarHBondContact OD1-CB 3.45Å; N459-T461 WeakPolarHBondContact OD1-CG2 3.44Å; N459-T461 PolarHBondContact OD1-N 3.48Å; N459-T461 PolarHBondContact OD1-OG1 3.42Å; N459-N467 PolarHBondContact O-OD1 3.39Å
460C72.8Confident63.3Low0 Ų084.3 Ų84.30%042%0.424CS..  trans-101.613.6178.2-80.20000113.3N462 P466 A468 V492 M502 N504 C506C460-N462 PolarHBondContact O-N 2.55Å; C460-N462 VanDerWaalsContact O-N 3.09Å; C460-P466 HydrophobicContact CB-CB 4.05Å; C460-A468 PolarHBondContact SG-O 3.15Å; C460-A468 VanDerWaalsContact SG-O 3.34Å; C460-V492 HydrophobicContact CB-CG2 3.87Å; C460-V492 WeakPolarHBondContact O-CG2 3.43Å; C460-M502 HydrophobicContact CB-CE 4.15Å; C460-N504 PolarHBondContact N-O 2.9Å; C460-C506 HydrophobicContact CB-CB 3.99Å; C460-C506 WeakPolarHBondContact CB-SG 3.49Å; C460-C506 PolarHBondContact N-SG 2.83Å; C460-C506 VanDerWaalsContact N-SG 3.42Å; C460-C506 VanDerWaalsContact SG-CA 3.57Å; C460-C506 WeakPolarHBondContact SG-CB 3.27Å; C460-C506 CovalentContact SG-SG 2.01Å; C460-C506 PolarHBondContact SG-SG 2.85Å
461T67.4Low64.1Low85 Ų8581.8 Ų81.852%0.52141%0.41SS..  trans-55.6-28.7179.948.90000114.5N459 K463 N504N459-T461 VanDerWaalsContact OD1-CB 3.27Å; N459-T461 WeakPolarHBondContact OD1-CB 3.45Å; N459-T461 WeakPolarHBondContact OD1-CG2 3.44Å; N459-T461 PolarHBondContact OD1-N 3.48Å; N459-T461 PolarHBondContact OD1-OG1 3.42Å; T461-K463 PolarHBondContact O-N 3.16Å; T461-N504 HydrophobicContact CG2-CB 4.31Å
462N64.8Low65.2Low86 Ų8679.8 Ų79.846%0.4639%0.394SS..  trans-85.3109.2177.8-170.5-12.6000111.8C460 M464 N465 P466C460-N462 PolarHBondContact O-N 2.55Å; C460-N462 VanDerWaalsContact O-N 3.09Å; N462-M464 PolarHBondContact O-N 2.85Å; N462-M464 PolarHBondContact OD1-N 3.25Å; N462-N465 CarbonylContact O-C 3.46Å; N462-N465 PolarHBondContact O-N 2.95Å; N462-P466 WeakPolarHBondContact O-CD 3.25Å; N462-P466 VanDerWaalsContact O-N 3.15Å
463K63Low66Low123 Ų12374.4 Ų74.454%0.53537%0.365SS..THydrogen-bonded Turntrans-56.8-32175.9-73.8-173.6178-178.40113.8T461T461-K463 PolarHBondContact O-N 3.16Å
464M61.1Low66.4Low161 Ų16173.7 Ų73.779%0.79338%0.376SS*.THydrogen-bonded Turntrans-84.1-24.2-177.2-67.1-140175.300113.2N462N462-M464 PolarHBondContact O-N 2.85Å; N462-M464 PolarHBondContact OD1-N 3.25Å
465N64.8Low66.6Low67 Ų6770.2 Ų70.236%0.35836%0.357SS..SBendtrans-146.669.5-177.3-91.6-28000110.8N462 K526N462-N465 CarbonylContact O-C 3.46Å; N462-N465 PolarHBondContact O-N 2.95Å; N465-K526 PolarHBondContact OD1-NZ 3.26Å
466P69.7Low66.8Low24 Ų2462.6 Ų62.616%0.15633%0.332CS..  trans-71144.8172.532-35.4000110C460 N462 A468 M502C460-P466 HydrophobicContact CB-CB 4.05Å; N462-P466 WeakPolarHBondContact O-CD 3.25Å; N462-P466 VanDerWaalsContact O-N 3.15Å; P466-A468 WeakPolarHBondContact CB-O 3.24Å; P466-A468 PolarHBondContact O-N 2.85Å; P466-M502 HydrophobicContact CB-CE 4.26Å
467N73.8Confident66.6Low63 Ų6356.8 Ų56.834%0.33731%0.313SS..SBendtrans-61.2-32.2175.8-79.571.4000112.4L458 N459 M525 K526L458-N467 HydrophobicContact CD2-CB 4.19Å; N459-N467 PolarHBondContact O-OD1 3.39Å; N467-M525 WeakPolarHBondContact O-CA 3.39Å; N467-K526 PolarHBondContact O-N 3.25Å
468A77.1Confident66.2Low0 Ų052.5 Ų52.50%030%0.3CS..EExtended strand (participates in β ladder)trans-137.1158.8176.200000111.2C460 P466 C506 Y524 M525C460-A468 PolarHBondContact SG-O 3.15Å; C460-A468 VanDerWaalsContact SG-O 3.34Å; P466-A468 WeakPolarHBondContact CB-O 3.24Å; P466-A468 PolarHBondContact O-N 2.85Å; A468-C506 HydrophobicContact CB-CB 3.95Å; A468-Y524 CarbonylContact C-O 3.56Å; A468-Y524 WeakPolarHBondContact CA-O 3.13Å; A468-Y524 WeakPolarHBondContact CB-O 3.34Å; A468-M525 HydrophobicContact CB-CG 4.43Å; A468-M525 HydrophobicContact CB-SD 3.73Å
469Y77.7Confident65.4Low26 Ų2653.7 Ų53.710%0.10231%0.31CS..EExtended strand (participates in β ladder)trans-142.9152.7173.562.7-88.8000110.9I471 Y524 Q535Y469-I471 HydrophobicContact CD2-CD1 4.16Å; Y469-I471 HydrophobicContact CD2-CG1 3.9Å; Y469-I471 HydrophobicContact CE2-CD1 3.64Å; Y469-I471 HydrophobicContact CE2-CG1 3.88Å; Y469-Y524 HydrophobicContact CD2-CD2 4.07Å; Y469-Y524 HydrophobicContact CD2-CG 4.43Å; Y469-Y524 VanDerWaalsContact CE1-CB 3.43Å; Y469-Y524 HydrophobicContact CE1-CG 4.26Å; Y469-Y524 HydrophobicContact CE2-CD1 4.49Å; Y469-Y524 AromaticContact CE2-CD2 3.38Å; Y469-Y524 HydrophobicContact CE2-CD2 3.38Å; Y469-Y524 HydrophobicContact CE2-CE2 4.2Å; Y469-Y524 AromaticContact CE2-CG 3.56Å; Y469-Y524 HydrophobicContact CE2-CG 3.56Å; Y469-Y524 AromaticContact CZ-CD2 3.83Å; Y469-Y524 AromaticContact CZ-CG 3.46Å; Y469-Y524 VanDerWaalsContact CZ-CG 3.46Å; Y469-Y524 PolarHBondContact N-O 3.23Å; Y469-Y524 PolarHBondContact O-N 3.41Å; Y469-Y524 VanDerWaalsContact OH-CB 3.3Å; Y469-Y524 WeakPolarHBondContact OH-CB 3.4Å; Y469-Y524 VanDerWaalsContact OH-CG 3.29Å; Y469-Q535 HydrophobicContact CE1-CG 4.25Å; Y469-Q535 WeakPolarHBondContact OH-CG 3.28Å; Y469-Q535 PolarHBondContact OH-NE2 3.44Å
470W82.3Confident64.9Low0 Ų050.4 Ų50.40%029%0.293CS..EExtended strand (participates in β ladder)trans-109.5134.4-178.9-72.293.4000111.4L446 C448 Y490 C506 L508 Y522 C523 Y543L446-W470 HydrophobicContact CB-CH2 3.82Å; L446-W470 HydrophobicContact CB-CZ2 4.13Å; L446-W470 HydrophobicContact CD1-CH2 4.49Å; L446-W470 HydrophobicContact CD1-CZ3 4.49Å; L446-W470 WeakPolarHBondContact O-CZ2 3.47Å; C448-W470 HydrophobicContact CB-CZ2 3.72Å; W470-Y490 HydrophobicContact CB-CD2 3.93Å; W470-Y490 PolarHBondContact O-N 3.1Å; W470-C506 PolarHBondContact NE1-O 3.2Å; W470-L508 HydrophobicContact CB-CD1 4.36Å; W470-L508 HydrophobicContact CD2-CB 3.91Å; W470-L508 HydrophobicContact CD2-CD2 4.4Å; W470-L508 HydrophobicContact CE3-CB 4.45Å; W470-L508 HydrophobicContact CE3-CD2 4.34Å; W470-L508 HydrophobicContact CG-CB 4.1Å; W470-L508 HydrophobicContact CG-CD1 4.36Å; W470-L508 HydrophobicContact CZ2-CB 4.16Å; W470-Y522 WeakPolarHBondContact CA-O 3.43Å; W470-C523 HydrophobicContact CD2-CB 3.96Å; W470-C523 HydrophobicContact CE3-CB 3.85Å; W470-C523 HydrophobicContact CH2-CB 3.79Å; W470-C523 HydrophobicContact CZ2-CB 3.86Å; W470-C523 HydrophobicContact CZ3-CB 3.77Å; W470-Y543 AromaticContact CH2-CD2 3.59Å; W470-Y543 HydrophobicContact CH2-CD2 3.59Å; W470-Y543 AromaticContact CH2-CE2 3.65Å; W470-Y543 HydrophobicContact CH2-CE2 3.65Å; W470-Y543 AromaticContact CZ3-CD2 3.82Å; W470-Y543 HydrophobicContact CZ3-CD2 3.82Å; W470-Y543 HydrophobicContact CZ3-CE2 4.33Å
471I77.4Confident64.1Low0 Ų054.3 Ų54.30%032%0.318CS..EExtended strand (participates in β ladder)trans-118.4126.8173-58.8-173.5000108.6Y469 P480 N487 N489 Y522 Y524Y469-I471 HydrophobicContact CD2-CD1 4.16Å; Y469-I471 HydrophobicContact CD2-CG1 3.9Å; Y469-I471 HydrophobicContact CE2-CD1 3.64Å; Y469-I471 HydrophobicContact CE2-CG1 3.88Å; I471-P480 HydrophobicContact CG2-CG 3.99Å; I471-N487 HydrophobicContact CG2-CB 3.75Å; I471-N489 WeakPolarHBondContact CG1-OD1 3.37Å; I471-Y522 PolarHBondContact N-O 3.37Å; I471-Y522 PolarHBondContact O-N 2.63Å; I471-Y524 HydrophobicContact CB-CE2 4.25Å; I471-Y524 HydrophobicContact CD1-CD2 4.11Å; I471-Y524 HydrophobicContact CD1-CE2 3.69Å; I471-Y524 HydrophobicContact CG1-CD2 4.21Å; I471-Y524 HydrophobicContact CG1-CE2 4Å
472L75.8Confident63.4Low28 Ų2851.7 Ų51.715%0.14730%0.302CS..EExtended strand (participates in β ladder)trans-87.4122.9161.2172.163.4000108.8I488 Y490 Y521L472-I488 HydrophobicContact CB-CB 4.46Å; L472-I488 HydrophobicContact CD2-CD1 4.3Å; L472-I488 PolarHBondContact N-O 3.43Å; L472-I488 VanDerWaalsContact N-O 3.1Å; L472-Y490 HydrophobicContact CB-CE2 3.64Å; L472-Y490 VanDerWaalsContact CD2-OH 3.29Å; L472-Y490 WeakPolarHBondContact CD2-OH 3.47Å; L472-Y521 HydrophobicContact CB-CD1 4.38Å; L472-Y521 HydrophobicContact CB-CE1 4.23Å; L472-Y521 HydrophobicContact CD1-CD1 4.26Å; L472-Y521 HydrophobicContact CD1-CE1 3.88Å; L472-Y521 HydrophobicContact CD1-CE2 4.38Å; L472-Y521 HydrophobicContact CG-CE1 4.45Å
473S65.8Low62.8Low2 Ų252.6 Ų52.61%0.01432%0.315CS..EExtended strand (participates in β ladder)trans-104.3130.2163.7-161.50000110.1S475 I520S473-S475 PolarHBondContact OG-N 3.4Å; S473-S475 VanDerWaalsContact OG-N 3.16Å; S473-S475 PolarHBondContact OG-O 3.47Å; S473-S475 PolarHBondContact OG-OG 3.28Å; S473-I520 PolarHBondContact N-O 2.95Å; S473-I520 VanDerWaalsContact N-O 3.12Å
474S55.7Low62.2Low114 Ų11448.7 Ų48.780%0.79730%0.303SS*.SBendtrans-71.9-16164.1550000112.1
475S50.2Low61.5Low36 Ų3651 Ų5125%0.25231%0.309SS..  trans-95.9125.5178.673.10000111S473 S477S473-S475 PolarHBondContact OG-N 3.4Å; S473-S475 VanDerWaalsContact OG-N 3.16Å; S473-S475 PolarHBondContact OG-O 3.47Å; S473-S475 PolarHBondContact OG-OG 3.28Å; S475-S477 PolarHBondContact O-N 3.17Å; S475-S477 VanDerWaalsContact O-N 3.11Å
476S50.6Low60.8Low68 Ų6854.6 Ų54.648%0.47633%0.329SS..SBendtrans-75.58.3-178.154.20000114.7
477S51.2Low60Low46 Ų4654.8 Ų54.832%0.32233%0.328SS..SBendtrans-109.8-15.3-149.5450000118T207 S475T207-S477 VanDerWaalsContact CG2-CA 3.44Å; T207-S477 VanDerWaalsContact CG2-CB 3.48Å; S475-S477 PolarHBondContact O-N 3.17Å; S475-S477 VanDerWaalsContact O-N 3.11Å
478S52Low59.2Low69 Ų6956.5 Ų56.548%0.48334%0.336SS..SBendtrans-179.7149.5178.442.40000109.2P480S478-P480 VanDerWaalsContact O-CD 3.26Å; S478-P480 WeakPolarHBondContact O-CD 3.27Å
479P52.7Low58.4Low51 Ų5160.4 Ų60.433%0.33136%0.357SS..PPolyproline II helixtrans-53.7117.5168.220.8-29.4000108.8Y522 Y524 P539P479-Y522 HydrophobicContact CB-CD1 4.14Å; P479-Y522 HydrophobicContact CB-CE1 4.11Å; P479-Y524 VanDerWaalsContact CB-OH 3.28Å; P479-Y524 WeakPolarHBondContact CB-OH 3.41Å; P479-P539 HydrophobicContact CB-CG 3.87Å; P479-P539 HydrophobicContact CG-CG 4.42Å
480P57.3Low57.8Low10 Ų1060.5 Ų60.57%0.06536%0.358CS..PPolyproline II helixtrans-74.5146-177.730.3-34.8000109.6I471 S478 N487 Y524I471-P480 HydrophobicContact CG2-CG 3.99Å; S478-P480 VanDerWaalsContact O-CD 3.26Å; S478-P480 WeakPolarHBondContact O-CD 3.27Å; P480-N487 WeakPolarHBondContact CB-ND2 3.31Å; P480-N487 WeakPolarHBondContact CG-ND2 3.3Å; P480-Y524 PolarHBondContact O-OH 3.05Å
481P56.4Low56.7Low81 Ų8165.8 Ų65.853%0.52638%0.384SS..PPolyproline II helixtrans-60.3144.6171.325.1-31.9000109.5S483 S484P481-S483 PolarHBondContact O-N 3.42Å; P481-S484 PolarHBondContact O-N 3.39Å; P481-S484 VanDerWaalsContact O-N 3.16Å
482P52.7Low55.6Low30 Ų3066.1 Ų66.120%0.19539%0.387CS..THydrogen-bonded Turntrans-60.1-16.6-17518.8-29000114.2Q535P482-Q535 VanDerWaalsContact CB-CD 3.42Å; P482-Q535 HydrophobicContact CB-CG 4.49Å; P482-Q535 HydrophobicContact CG-CB 4.38Å; P482-Q535 HydrophobicContact CG-CG 4.02Å
483S51.2Low54.7Low105 Ų10567.7 Ų67.773%0.73440%0.395SS*.THydrogen-bonded Turntrans-92.33.2-178.856.40000115.4P481 K485P481-S483 PolarHBondContact O-N 3.42Å; S483-K485 PolarHBondContact O-N 3.06Å
484S49.8Very low53.8Low41 Ų4174 Ų7429%0.28743%0.427SS..  trans-75.6125.5-176.693.10000112.4P481 N486 N487P481-S484 PolarHBondContact O-N 3.39Å; P481-S484 VanDerWaalsContact O-N 3.16Å; S484-N486 PolarHBondContact O-N 3.22Å; S484-N486 VanDerWaalsContact O-N 3.08Å; S484-N487 PolarHBondContact O-N 2.87Å; S484-N487 PolarHBondContact OG-ND2 3.48Å; S484-N487 PolarHBondContact OG-OD1 3.02Å
485K48.1Very low53.6Low210 Ų21075.4 Ų75.491%0.91342%0.421SS*.THydrogen-bonded Turntrans-60.7-15.6-175.5-73-177.1177.4179.40115.9S483S483-K485 PolarHBondContact O-N 3.06Å
486N48.9Very low53.6Low143 Ų14381.5 Ų81.577%0.76544%0.443SS*.THydrogen-bonded Turntrans-99.42.6-173.7-694000114S484S484-N486 PolarHBondContact O-N 3.22Å; S484-N486 VanDerWaalsContact O-N 3.08Å
487N53.5Low53.7Low27 Ų2783.2 Ų83.214%0.14446%0.455CS..  trans-96.4144.3-178.5-66.1-14.7000111.9I471 P480 S484I471-N487 HydrophobicContact CG2-CB 3.75Å; P480-N487 WeakPolarHBondContact CB-ND2 3.31Å; P480-N487 WeakPolarHBondContact CG-ND2 3.3Å; S484-N487 PolarHBondContact O-N 2.87Å; S484-N487 PolarHBondContact OG-ND2 3.48Å; S484-N487 PolarHBondContact OG-OD1 3.02Å
488I57.6Low54.1Low100 Ų10083.5 Ų83.551%0.51346%0.457SS..EExtended strand (participates in β ladder)trans-89.9109.6169.5-60.1169.4000107.1L472 Y490L472-I488 HydrophobicContact CB-CB 4.46Å; L472-I488 HydrophobicContact CD2-CD1 4.3Å; L472-I488 PolarHBondContact N-O 3.43Å; L472-I488 VanDerWaalsContact N-O 3.1Å; I488-Y490 HydrophobicContact CG2-CD1 4.31Å; I488-Y490 HydrophobicContact CG2-CE1 3.91Å
489N60.3Low54.9Low81 Ų8182.3 Ų82.343%0.43345%0.449SS..EExtended strand (participates in β ladder)trans-83.9122.3168.6-70.3-8.9000108I471I471-N489 WeakPolarHBondContact CG1-OD1 3.37Å
490Y63.8Low56Low29 Ų2980.4 Ų80.411%0.11444%0.436CS..EExtended strand (participates in β ladder)trans-83.1120172.9-60.3-75.7000109.3W470 L472 I488 P500 L508 Y521W470-Y490 HydrophobicContact CB-CD2 3.93Å; W470-Y490 PolarHBondContact O-N 3.1Å; L472-Y490 HydrophobicContact CB-CE2 3.64Å; L472-Y490 VanDerWaalsContact CD2-OH 3.29Å; L472-Y490 WeakPolarHBondContact CD2-OH 3.47Å; I488-Y490 HydrophobicContact CG2-CD1 4.31Å; I488-Y490 HydrophobicContact CG2-CE1 3.91Å; Y490-P500 HydrophobicContact CD1-CG 4.42Å; Y490-P500 HydrophobicContact CE1-CG 3.61Å; Y490-L508 HydrophobicContact CD1-CD1 4.37Å; Y490-L508 HydrophobicContact CD2-CD1 3.87Å; Y490-L508 HydrophobicContact CE2-CD1 4.35Å; Y490-L508 HydrophobicContact CE2-CD2 4.4Å; Y490-L508 HydrophobicContact CG-CD1 3.86Å; Y490-Y521 HydrophobicContact CE2-CD1 4.06Å; Y490-Y521 AromaticContact CE2-CE1 3.93Å; Y490-Y521 HydrophobicContact CE2-CE1 3.93Å
491I59.6Low56.9Low110 Ų11080.7 Ų80.756%0.56444%0.436SS*.PPolyproline II helixtrans-98.8153.3173.2-56.5173000107.6N493I491-N493 PolarHBondContact O-N 3.22Å
492V54.9Low58Low8 Ų877 Ų775%0.04841%0.412CS..BIsolated β-bridgetrans-55.1114.8171.9178.70000109.1C460 M502C460-V492 HydrophobicContact CB-CG2 3.87Å; C460-V492 WeakPolarHBondContact O-CG2 3.43Å; V492-M502 HydrophobicContact CB-CE 4.4Å; V492-M502 HydrophobicContact CG2-CE 3.26Å; V492-M502 HydrophobicContact CG2-CG 4.38Å
493N55.8Low59.3Low61 Ų6176.6 Ų76.633%0.32641%0.409SS..  trans-103116.8-178.9-140.12000109.1I491 E495 S498I491-N493 PolarHBondContact O-N 3.22Å; N493-E495 VanDerWaalsContact C-N 3.34Å; N493-E495 PolarHBondContact ND2-O 3.12Å; N493-S498 PolarHBondContact ND2-OG 3.02Å
494I48.2Very low60.5Low134 Ų13476 Ų7669%0.68740%0.398SS*.SBendtrans-78.2-28.9176.4-59.7172.8000109.5
495E50.6Low61.8Low144 Ų14477.5 Ų77.567%0.67340%0.402SS*.SBendtrans-90.2110.1175.4-66.5178.6-170.100109.3N493 S497N493-E495 VanDerWaalsContact C-N 3.34Å; N493-E495 PolarHBondContact ND2-O 3.12Å; E495-S497 PolarHBondContact O-N 2.86Å
496K51.1Low63.4Low164 Ų16467.5 Ų67.571%0.71336%0.359SS*.THydrogen-bonded Turntrans-66.927.2-178.8-65177.8177.9173.10114.4
497S51Low65Low103 Ų10362.2 Ų62.272%0.7233%0.33SS*.THydrogen-bonded Turntrans-85.6-18.3-172.661.10000114.3E495E495-S497 PolarHBondContact O-N 2.86Å
498S60.7Low66.5Low53 Ų5360.9 Ų60.937%0.37132%0.323SS..SBendtrans-120.5114.9-178660000112.1N493 P500N493-S498 PolarHBondContact ND2-OG 3.02Å; S498-P500 CarbonylContact O-C 3.59Å
499S69.2Low67.7Low43 Ų4358.3 Ų58.330%0.30131%0.308SS..SBendtrans-98.3128.5170.2179.40000110.3D511 H517S499-D511 PolarHBondContact OG-N 3.18Å; S499-D511 VanDerWaalsContact OG-N 3.15Å; S499-H517 PolarHBondContact O-NE2 3.18Å; S499-H517 VanDerWaalsContact O-NE2 3.11Å
500P74.4Confident68.7Low11 Ų1154.4 Ų54.47%0.07129%0.287CS..SBendcis-82.1158.42.331.5-34.1000114.6Y490 S498 L508 K509 F510Y490-P500 HydrophobicContact CD1-CG 4.42Å; Y490-P500 HydrophobicContact CE1-CG 3.61Å; S498-P500 CarbonylContact O-C 3.59Å; P500-L508 HydrophobicContact CB-CD1 4.11Å; P500-L508 HydrophobicContact CB-CG 4.19Å; P500-K509 CarbonylContact C-O 3.52Å; P500-K509 VanDerWaalsContact CA-O 3.22Å; P500-K509 WeakPolarHBondContact CA-O 3.46Å; P500-K509 WeakPolarHBondContact CB-O 3.16Å; P500-F510 HydrophobicContact CB-CD1 3.6Å; P500-F510 HydrophobicContact CB-CD2 4.32Å; P500-F510 HydrophobicContact CB-CE1 3.5Å; P500-F510 HydrophobicContact CB-CE2 4.25Å; P500-F510 HydrophobicContact CB-CG 3.99Å; P500-F510 HydrophobicContact CB-CZ 3.84Å; P500-F510 HydrophobicContact CG-CD1 4.03Å; P500-F510 HydrophobicContact CG-CE1 3.57Å; P500-F510 HydrophobicContact CG-CZ 4.07Å
501Y76.4Confident69.3Low16 Ų1655.5 Ų55.56%0.06330%0.295CS..EExtended strand (participates in β ladder)trans-136.5157174.858.9-84.1000112T503 K509 D511Y501-T503 HydrophobicContact CE2-CG2 4.39Å; Y501-K509 HydrophobicContact CE1-CG 4.38Å; Y501-K509 HydrophobicContact CE2-CB 4.18Å; Y501-K509 HydrophobicContact CE2-CD 4.2Å; Y501-K509 HydrophobicContact CE2-CG 4.45Å; Y501-K509 PolarHBondContact N-O 3.41Å; Y501-K509 PolarHBondContact O-N 2.98Å; Y501-K509 VanDerWaalsContact OH-CD 3.31Å; Y501-K509 WeakPolarHBondContact OH-CD 3.5Å; Y501-K509 WeakPolarHBondContact OH-CE 3.36Å; Y501-K509 PolarHBondContact OH-NZ 2.87Å; Y501-D511 VanDerWaalsContact CE1-OD2 3.29Å; Y501-D511 WeakPolarHBondContact CE1-OD2 3.45Å; Y501-D511 PolarHBondContact OH-OD1 3.42Å; Y501-D511 PolarHBondContact OH-OD2 3.29Å
502M80.8Confident70Confident3 Ų354.4 Ų54.42%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-89.2130.8176.2-169.9166.976.400110.9C460 P466 V492 E507C460-M502 HydrophobicContact CB-CE 4.15Å; P466-M502 HydrophobicContact CB-CE 4.26Å; V492-M502 HydrophobicContact CB-CE 4.4Å; V492-M502 HydrophobicContact CG2-CE 3.26Å; V492-M502 HydrophobicContact CG2-CG 4.38Å; M502-E507 CarbonylContact C-O 3.57Å; M502-E507 WeakPolarHBondContact CA-O 3.46Å
503T80.3Confident70.8Confident23 Ų2354.1 Ų54.114%0.14129%0.287CS..  trans-81.7169.7177.370.40000112Y501 D505 C506 E507 K509Y501-T503 HydrophobicContact CE2-CG2 4.39Å; T503-D505 PolarHBondContact O-N 2.88Å; T503-C506 PolarHBondContact O-N 2.8Å; T503-E507 HydrophobicContact CG2-CB 4.41Å; T503-E507 PolarHBondContact N-O 2.91Å; T503-E507 WeakPolarHBondContact OG1-CB 3.21Å; T503-E507 PolarHBondContact OG1-N 2.87Å; T503-E507 VanDerWaalsContact OG1-N 3.13Å; T503-E507 PolarHBondContact OG1-O 3.16Å; T503-K509 HydrophobicContact CG2-CB 3.84Å; T503-K509 HydrophobicContact CG2-CD 4.35Å
504N75.8Confident71.7Confident92 Ų9254.4 Ų54.449%0.49229%0.287SS..THydrogen-bonded Turntrans-63.2-26.3176.5-69.9-11.6000113.1C460 T461 C506C460-N504 PolarHBondContact N-O 2.9Å; T461-N504 HydrophobicContact CG2-CB 4.31Å; N504-C506 PolarHBondContact O-N 2.78Å
505D77.4Confident72.5Confident72 Ų7253.9 Ų53.939%0.38528%0.276SS..THydrogen-bonded Turntrans-84.413.5175-61.5-64.7000112.9Q457 T503 E507Q457-D505 PolarHBondContact NE2-OD1 3.12Å; Q457-D505 VanDerWaalsContact NE2-OD1 3.12Å; T503-D505 PolarHBondContact O-N 2.88Å; D505-E507 VanDerWaalsContact C-N 3.27Å; D505-E507 HydrophobicContact CB-CG 4.1Å; D505-E507 PolarHBondContact O-N 2.86Å
506C80.3Confident73.4Confident0 Ų053 Ų530%028%0.276CS..SBendtrans65.720.8-177.4-48.70000115.2L458 C460 A468 W470 T503 N504L458-C506 HydrophobicContact CB-CB 4.26Å; C460-C506 HydrophobicContact CB-CB 3.99Å; C460-C506 WeakPolarHBondContact CB-SG 3.49Å; C460-C506 PolarHBondContact N-SG 2.83Å; C460-C506 VanDerWaalsContact N-SG 3.42Å; C460-C506 VanDerWaalsContact SG-CA 3.57Å; C460-C506 WeakPolarHBondContact SG-CB 3.27Å; C460-C506 CovalentContact SG-SG 2.01Å; C460-C506 PolarHBondContact SG-SG 2.85Å; A468-C506 HydrophobicContact CB-CB 3.95Å; W470-C506 PolarHBondContact NE1-O 3.2Å; T503-C506 PolarHBondContact O-N 2.8Å; N504-C506 PolarHBondContact O-N 2.78Å
507E83.8Confident74.4Confident32 Ų3245.7 Ų45.715%0.1524%0.244CC..  trans-89.8146178.6-49.3175.2145.900110.3I445 L446 K447 M502 T503 D505I445-E507 HydrophobicContact CG2-CB 3.68Å; I445-E507 HydrophobicContact CG2-CG 4.21Å; I445-E507 VanDerWaalsContact CG2-OE2 3.22Å; I445-E507 WeakPolarHBondContact CG2-OE2 3.44Å; L446-E507 WeakPolarHBondContact O-CA 3.31Å; K447-E507 WeakPolarHBondContact CE-OE1 3.48Å; K447-E507 HydrophobicContact CG-CG 4.12Å; K447-E507 VanDerWaalsContact CG-OE1 3.29Å; K447-E507 WeakPolarHBondContact CG-OE1 3.49Å; M502-E507 CarbonylContact C-O 3.57Å; M502-E507 WeakPolarHBondContact CA-O 3.46Å; T503-E507 HydrophobicContact CG2-CB 4.41Å; T503-E507 PolarHBondContact N-O 2.91Å; T503-E507 WeakPolarHBondContact OG1-CB 3.21Å; T503-E507 PolarHBondContact OG1-N 2.87Å; T503-E507 VanDerWaalsContact OG1-N 3.13Å; T503-E507 PolarHBondContact OG1-O 3.16Å; D505-E507 VanDerWaalsContact C-N 3.27Å; D505-E507 HydrophobicContact CB-CG 4.1Å; D505-E507 PolarHBondContact O-N 2.86Å
508L84.6Confident75.4Confident0 Ų043.7 Ų43.70%023%0.226CC..EExtended strand (participates in β ladder)trans-92.2114.9173.1-170.671000109.5I445 L446 W470 Y490 P500 F510 Y521I445-L508 WeakPolarHBondContact CA-O 3.47Å; L446-L508 HydrophobicContact CB-CB 4.23Å; L446-L508 HydrophobicContact CD1-CD2 4.18Å; L446-L508 PolarHBondContact N-O 2.87Å; L446-L508 PolarHBondContact O-N 2.86Å; W470-L508 HydrophobicContact CB-CD1 4.36Å; W470-L508 HydrophobicContact CD2-CB 3.91Å; W470-L508 HydrophobicContact CD2-CD2 4.4Å; W470-L508 HydrophobicContact CE3-CB 4.45Å; W470-L508 HydrophobicContact CE3-CD2 4.34Å; W470-L508 HydrophobicContact CG-CB 4.1Å; W470-L508 HydrophobicContact CG-CD1 4.36Å; W470-L508 HydrophobicContact CZ2-CB 4.16Å; Y490-L508 HydrophobicContact CD1-CD1 4.37Å; Y490-L508 HydrophobicContact CD2-CD1 3.87Å; Y490-L508 HydrophobicContact CE2-CD1 4.35Å; Y490-L508 HydrophobicContact CE2-CD2 4.4Å; Y490-L508 HydrophobicContact CG-CD1 3.86Å; P500-L508 HydrophobicContact CB-CD1 4.11Å; P500-L508 HydrophobicContact CB-CG 4.19Å; L508-F510 HydrophobicContact CD2-CE2 3.83Å; L508-F510 HydrophobicContact CD2-CZ 3.74Å; L508-F510 HydrophobicContact CG-CE2 3.98Å; L508-F510 HydrophobicContact CG-CZ 4.26Å; L508-Y521 HydrophobicContact CD2-CD1 3.24Å; L508-Y521 HydrophobicContact CD2-CE1 3.66Å; L508-Y521 HydrophobicContact CD2-CG 3.92Å
509K83Confident75.8Confident45 Ų4541.8 Ų41.820%0.19621%0.214CC..EExtended strand (participates in β ladder)trans-108.5133-177.5-176.6169.1173.9-146.10111.8L444 I445 P500 Y501 T503 D511L444-K509 CarbonylContact O-C 3.51Å; L444-K509 WeakPolarHBondContact O-CA 3.28Å; I445-K509 HydrophobicContact CD1-CD 4.21Å; I445-K509 HydrophobicContact CG1-CB 4.27Å; I445-K509 HydrophobicContact CG1-CD 4.08Å; I445-K509 HydrophobicContact CG1-CG 3.91Å; P500-K509 CarbonylContact C-O 3.52Å; P500-K509 VanDerWaalsContact CA-O 3.22Å; P500-K509 WeakPolarHBondContact CA-O 3.46Å; P500-K509 WeakPolarHBondContact CB-O 3.16Å; Y501-K509 HydrophobicContact CE1-CG 4.38Å; Y501-K509 HydrophobicContact CE2-CB 4.18Å; Y501-K509 HydrophobicContact CE2-CD 4.2Å; Y501-K509 HydrophobicContact CE2-CG 4.45Å; Y501-K509 PolarHBondContact N-O 3.41Å; Y501-K509 PolarHBondContact O-N 2.98Å; Y501-K509 VanDerWaalsContact OH-CD 3.31Å; Y501-K509 WeakPolarHBondContact OH-CD 3.5Å; Y501-K509 WeakPolarHBondContact OH-CE 3.36Å; Y501-K509 PolarHBondContact OH-NZ 2.87Å; T503-K509 HydrophobicContact CG2-CB 3.84Å; T503-K509 HydrophobicContact CG2-CD 4.35Å; K509-D511 WeakPolarHBondContact CE-OD1 3.49Å; K509-D511 IonicContact NZ-OD1 2.67Å; K509-D511 PolarHBondContact NZ-OD1 2.73Å
510F81.2Confident75.9Confident0 Ų040.6 Ų40.60%020%0.204CC..EExtended strand (participates in β ladder)trans-109.2121.5169.9-56.4-104000106.7S443 L444 L446 P500 L508 L513 H517 Y521 L545S443-F510 CarbonylContact C-O 3.58Å; S443-F510 WeakPolarHBondContact CA-O 3.43Å; S443-F510 WeakPolarHBondContact CB-O 3.41Å; L444-F510 HydrophobicContact CB-CB 4.12Å; L444-F510 HydrophobicContact CB-CD2 4Å; L444-F510 HydrophobicContact CB-CG 4.36Å; L444-F510 HydrophobicContact CD2-CD2 3.83Å; L444-F510 HydrophobicContact CD2-CE2 4.06Å; L444-F510 HydrophobicContact CD2-CG 4.48Å; L444-F510 HydrophobicContact CG-CD2 4.07Å; L444-F510 PolarHBondContact N-O 3.45Å; L444-F510 PolarHBondContact O-N 2.87Å; L446-F510 HydrophobicContact CD1-CE2 3.89Å; L446-F510 HydrophobicContact CD1-CZ 4.43Å; L446-F510 HydrophobicContact CG-CE2 4.1Å; P500-F510 HydrophobicContact CB-CD1 3.6Å; P500-F510 HydrophobicContact CB-CD2 4.32Å; P500-F510 HydrophobicContact CB-CE1 3.5Å; P500-F510 HydrophobicContact CB-CE2 4.25Å; P500-F510 HydrophobicContact CB-CG 3.99Å; P500-F510 HydrophobicContact CB-CZ 3.84Å; P500-F510 HydrophobicContact CG-CD1 4.03Å; P500-F510 HydrophobicContact CG-CE1 3.57Å; P500-F510 HydrophobicContact CG-CZ 4.07Å; L508-F510 HydrophobicContact CD2-CE2 3.83Å; L508-F510 HydrophobicContact CD2-CZ 3.74Å; L508-F510 HydrophobicContact CG-CE2 3.98Å; L508-F510 HydrophobicContact CG-CZ 4.26Å; F510-L513 HydrophobicContact CB-CD2 4.01Å; F510-L513 HydrophobicContact CD1-CD2 4.16Å; F510-L513 HydrophobicContact CG-CD2 4.06Å; F510-H517 HydrophobicContact CD1-CB 4.06Å; F510-H517 AromaticContact CD1-CG 3.85Å; F510-H517 AromaticContact CD1-ND1 3.85Å; F510-H517 HydrophobicContact CE1-CB 3.87Å; F510-Y521 HydrophobicContact CE1-CE1 4.24Å; F510-Y521 HydrophobicContact CE1-CE2 4.41Å; F510-Y521 AromaticContact CE1-CZ 3.78Å; F510-Y521 WeakPolarHBondContact CE1-OH 3.18Å; F510-Y521 HydrophobicContact CZ-CD1 4.36Å; F510-Y521 HydrophobicContact CZ-CD2 4.48Å; F510-Y521 AromaticContact CZ-CE1 3.75Å; F510-Y521 HydrophobicContact CZ-CE1 3.75Å; F510-Y521 AromaticContact CZ-CE2 3.91Å; F510-Y521 HydrophobicContact CZ-CE2 3.91Å; F510-Y521 AromaticContact CZ-CZ 3.5Å; F510-L545 HydrophobicContact CE1-CD2 4.18Å; F510-L545 HydrophobicContact CZ-CD2 4.15Å
511D76.1Confident76.2Confident51 Ų5140.1 Ų40.127%0.27320%0.201SC..EExtended strand (participates in β ladder)trans-77.2-43.5178.1-75.8-24.3000111.6S443 S499 Y501 K509S443-D511 VanDerWaalsContact CA-O 3.31Å; S443-D511 WeakPolarHBondContact CA-O 3.49Å; S443-D511 WeakPolarHBondContact CB-O 3.32Å; S443-D511 PolarHBondContact N-O 3.31Å; S443-D511 VanDerWaalsContact N-O 3.14Å; S499-D511 PolarHBondContact OG-N 3.18Å; S499-D511 VanDerWaalsContact OG-N 3.15Å; Y501-D511 VanDerWaalsContact CE1-OD2 3.29Å; Y501-D511 WeakPolarHBondContact CE1-OD2 3.45Å; Y501-D511 PolarHBondContact OH-OD1 3.42Å; Y501-D511 PolarHBondContact OH-OD2 3.29Å; K509-D511 WeakPolarHBondContact CE-OD1 3.49Å; K509-D511 IonicContact NZ-OD1 2.67Å; K509-D511 PolarHBondContact NZ-OD1 2.73Å
512I74.2Confident76.3Confident87 Ų8739.8 Ų39.845%0.44620%0.2SC..EExtended strand (participates in β ladder)trans-130.7133.4172.7-59173.7000107.4H517I512-H517 PolarHBondContact O-CE1 2.97Å; I512-H517 PolarHBondContact O-ND1 3.13Å
513L72.3Confident76.2Confident2 Ų239.7 Ų39.71%0.0120%0.199CC..  trans-85.1124.1177.3-72.1160.5000111.2L437 Y440 H441 L444 F510 L545 I547L437-L513 HydrophobicContact CB-CD1 4.25Å; L437-L513 HydrophobicContact CD1-CD1 3.66Å; L437-L513 HydrophobicContact CD1-CD2 4.15Å; L437-L513 HydrophobicContact CD2-CD1 4.5Å; L437-L513 HydrophobicContact CG-CD1 4.35Å; Y440-L513 PolarHBondContact N-O 3.4Å; H441-L513 HydrophobicContact CB-CD1 4.1Å; H441-L513 PolarHBondContact O-N 3.41Å; L444-L513 HydrophobicContact CB-CD1 4.15Å; L444-L513 HydrophobicContact CB-CD2 4.04Å; L444-L513 HydrophobicContact CB-CG 4.32Å; L444-L513 HydrophobicContact CD2-CD2 3.96Å; F510-L513 HydrophobicContact CB-CD2 4.01Å; F510-L513 HydrophobicContact CD1-CD2 4.16Å; F510-L513 HydrophobicContact CG-CD2 4.06Å; L513-L545 HydrophobicContact CD2-CD2 4.26Å; L513-I547 HydrophobicContact CB-CD1 4.35Å; L513-I547 HydrophobicContact CD2-CD1 3.95Å
514H73.3Confident76.1Confident68 Ų6838.7 Ų38.732%0.31519%0.193SC..  trans-120152175.9-67.4-61.9000110N516 H517 I547H514-N516 WeakPolarHBondContact CB-OD1 3.41Å; H514-N516 PolarHBondContact O-N 3.42Å; H514-N516 VanDerWaalsContact O-N 3.09Å; H514-H517 AromaticContact CD2-CE1 3.63Å; H514-H517 PolarHBondContact N-ND1 3.19Å; H514-H517 VanDerWaalsContact O-CB 3.26Å; H514-H517 WeakPolarHBondContact O-CB 3.24Å; H514-H517 PolarHBondContact O-N 2.73Å; H514-I547 WeakPolarHBondContact O-CD1 3.45Å
515R65.6Low75.9Confident123 Ų12335.6 Ų35.646%0.46418%0.176SC..G310 helixtrans-55.5-28.5176.7-87171.8172.2-145.8-7.5114.7E439 H517 N518E439-R515 VanDerWaalsContact CD-CG 3.45Å; E439-R515 HydrophobicContact CG-CG 4.21Å; E439-R515 WeakPolarHBondContact OE1-CB 3.31Å; E439-R515 WeakPolarHBondContact OE1-CD 3.18Å; E439-R515 VanDerWaalsContact OE1-CG 3.27Å; E439-R515 WeakPolarHBondContact OE1-CG 3.46Å; E439-R515 PolarHBondContact OE1-N 3.05Å; E439-R515 VanDerWaalsContact OE2-CD 3.22Å; E439-R515 WeakPolarHBondContact OE2-CD 3.45Å; E439-R515 IonicContact OE2-NE 3.89Å; E439-R515 PolarHBondContact OE2-NE 2.86Å; E439-R515 VanDerWaalsContact OE2-NE 3.13Å; R515-H517 PolarHBondContact O-N 2.91Å; R515-N518 VanDerWaalsContact O-CB 3.31Å; R515-N518 WeakPolarHBondContact O-CB 3.48Å; R515-N518 PolarHBondContact O-N 3.48Å; R515-N518 VanDerWaalsContact O-N 3.15Å; R515-N518 PolarHBondContact O-ND2 2.85Å
516N70.1Confident75.3Confident125 Ų12534.8 Ų34.867%0.66817%0.169SC*.G310 helixtrans-68.6-12.8176.266.3-7.4000113.2H514 N518H514-N516 WeakPolarHBondContact CB-OD1 3.41Å; H514-N516 PolarHBondContact O-N 3.42Å; H514-N516 VanDerWaalsContact O-N 3.09Å; N516-N518 PolarHBondContact O-N 2.96Å
517H72.2Confident74.3Confident11 Ų1137.6 Ų37.65%0.05118%0.184CC..G310 helixtrans-80.2-0.8172.2-57.6144.9000113S499 F510 I512 H514 R515 G519 Y521 L545 I547S499-H517 PolarHBondContact O-NE2 3.18Å; S499-H517 VanDerWaalsContact O-NE2 3.11Å; F510-H517 HydrophobicContact CD1-CB 4.06Å; F510-H517 AromaticContact CD1-CG 3.85Å; F510-H517 AromaticContact CD1-ND1 3.85Å; F510-H517 HydrophobicContact CE1-CB 3.87Å; I512-H517 PolarHBondContact O-CE1 2.97Å; I512-H517 PolarHBondContact O-ND1 3.13Å; H514-H517 AromaticContact CD2-CE1 3.63Å; H514-H517 PolarHBondContact N-ND1 3.19Å; H514-H517 VanDerWaalsContact O-CB 3.26Å; H514-H517 WeakPolarHBondContact O-CB 3.24Å; H514-H517 PolarHBondContact O-N 2.73Å; R515-H517 PolarHBondContact O-N 2.91Å; H517-G519 PolarHBondContact O-N 3.01Å; H517-Y521 WeakPolarHBondContact O-CE2 3.04Å; H517-Y521 PolarHBondContact O-OH 3.2Å; H517-L545 HydrophobicContact CB-CD2 4.4Å; H517-I547 HydrophobicContact CB-CD1 3.7Å
518N70.9Confident72.8Confident61 Ų6141.5 Ų41.533%0.32622%0.215SC..  trans-57.8129.2171.7-75.3-5000110.7R515 N516 I547R515-N518 VanDerWaalsContact O-CB 3.31Å; R515-N518 WeakPolarHBondContact O-CB 3.48Å; R515-N518 PolarHBondContact O-N 3.48Å; R515-N518 VanDerWaalsContact O-N 3.15Å; R515-N518 PolarHBondContact O-ND2 2.85Å; N516-N518 PolarHBondContact O-N 2.96Å; N518-I547 PolarHBondContact ND2-O 3.47Å; N518-I547 WeakPolarHBondContact OD1-CA 3.37Å; N518-I547 WeakPolarHBondContact OD1-CB 3.39Å; N518-I547 VanDerWaalsContact OD1-CG1 3.31Å; N518-I547 WeakPolarHBondContact OD1-CG1 3.36Å; N518-I547 PolarHBondContact OD1-N 2.84Å
519G70.6Confident71.1Confident13 Ų1346.5 Ų46.513%0.13425%0.245CC..EExtended strand (participates in β ladder)trans167.2-180-177.700000114.1H517 L545H517-G519 PolarHBondContact O-N 3.01Å; G519-L545 PolarHBondContact N-O 2.91Å; G519-L545 PolarHBondContact O-N 3.39Å
520I71.2Confident69.3Low18 Ų1850.6 Ų50.69%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-106.9120174.1-52.4-172.2000109S473 Y522 V542 Y543S473-I520 PolarHBondContact N-O 2.95Å; S473-I520 VanDerWaalsContact N-O 3.12Å; I520-Y522 HydrophobicContact CB-CE2 3.76Å; I520-Y522 HydrophobicContact CG2-CD2 4.08Å; I520-Y522 HydrophobicContact CG2-CE1 3.99Å; I520-Y522 HydrophobicContact CG2-CE2 3.42Å; I520-Y522 VanDerWaalsContact CG2-CE2 3.42Å; I520-V542 HydrophobicContact CG2-CG1 3.32Å; I520-Y543 CarbonylContact C-O 3.59Å; I520-Y543 WeakPolarHBondContact CA-O 3.14Å
521Y79.9Confident67Low1 Ų157.6 Ų57.60%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-103.8118179.2-61.6-87.3000109.4L446 L472 Y490 L508 F510 H517 V542 Y543 L545L446-Y521 HydrophobicContact CD1-CD2 4.36Å; L446-Y521 HydrophobicContact CD1-CG 4.27Å; L472-Y521 HydrophobicContact CB-CD1 4.38Å; L472-Y521 HydrophobicContact CB-CE1 4.23Å; L472-Y521 HydrophobicContact CD1-CD1 4.26Å; L472-Y521 HydrophobicContact CD1-CE1 3.88Å; L472-Y521 HydrophobicContact CD1-CE2 4.38Å; L472-Y521 HydrophobicContact CG-CE1 4.45Å; Y490-Y521 HydrophobicContact CE2-CD1 4.06Å; Y490-Y521 AromaticContact CE2-CE1 3.93Å; Y490-Y521 HydrophobicContact CE2-CE1 3.93Å; L508-Y521 HydrophobicContact CD2-CD1 3.24Å; L508-Y521 HydrophobicContact CD2-CE1 3.66Å; L508-Y521 HydrophobicContact CD2-CG 3.92Å; F510-Y521 HydrophobicContact CE1-CE1 4.24Å; F510-Y521 HydrophobicContact CE1-CE2 4.41Å; F510-Y521 AromaticContact CE1-CZ 3.78Å; F510-Y521 WeakPolarHBondContact CE1-OH 3.18Å; F510-Y521 HydrophobicContact CZ-CD1 4.36Å; F510-Y521 HydrophobicContact CZ-CD2 4.48Å; F510-Y521 AromaticContact CZ-CE1 3.75Å; F510-Y521 HydrophobicContact CZ-CE1 3.75Å; F510-Y521 AromaticContact CZ-CE2 3.91Å; F510-Y521 HydrophobicContact CZ-CE2 3.91Å; F510-Y521 AromaticContact CZ-CZ 3.5Å; H517-Y521 WeakPolarHBondContact O-CE2 3.04Å; H517-Y521 PolarHBondContact O-OH 3.2Å; Y521-V542 WeakPolarHBondContact O-CA 3.17Å; Y521-Y543 PolarHBondContact N-O 2.9Å; Y521-Y543 PolarHBondContact O-N 2.83Å; Y521-L545 HydrophobicContact CD2-CB 4.16Å; Y521-L545 HydrophobicContact CE2-CB 3.83Å; Y521-L545 HydrophobicContact CE2-CD2 3.93Å
522Y78.1Confident65.3Low9 Ų961 Ų614%0.03532%0.317CS..EExtended strand (participates in β ladder)trans-104.1125.5179.9-59.1-95.1000108.9W470 I471 P479 I520 Y524 P539 V542W470-Y522 WeakPolarHBondContact CA-O 3.43Å; I471-Y522 PolarHBondContact N-O 3.37Å; I471-Y522 PolarHBondContact O-N 2.63Å; P479-Y522 HydrophobicContact CB-CD1 4.14Å; P479-Y522 HydrophobicContact CB-CE1 4.11Å; I520-Y522 HydrophobicContact CB-CE2 3.76Å; I520-Y522 HydrophobicContact CG2-CD2 4.08Å; I520-Y522 HydrophobicContact CG2-CE1 3.99Å; I520-Y522 HydrophobicContact CG2-CE2 3.42Å; I520-Y522 VanDerWaalsContact CG2-CE2 3.42Å; Y522-Y524 HydrophobicContact CG-CE2 4.49Å; Y522-P539 HydrophobicContact CD1-CB 4.23Å; Y522-P539 HydrophobicContact CD1-CG 4.04Å; Y522-V542 HydrophobicContact CD1-CB 4.46Å; Y522-V542 HydrophobicContact CD1-CG1 4.2Å; Y522-V542 HydrophobicContact CD1-CG2 3.45Å; Y522-V542 VanDerWaalsContact CD1-CG2 3.45Å; Y522-V542 HydrophobicContact CE1-CG1 4.02Å; Y522-V542 HydrophobicContact CE1-CG2 3.82Å; Y522-V542 HydrophobicContact CG-CG2 4.37Å
523C79.7Confident63.6Low0 Ų063 Ų630%033%0.333CS..EExtended strand (participates in β ladder)trans-101.2132.6167-1710000111.1C448 W470 P539 I540 I541C448-C523 HydrophobicContact CB-CB 3.79Å; C448-C523 WeakPolarHBondContact CB-SG 3.45Å; C448-C523 WeakPolarHBondContact SG-CB 3.33Å; C448-C523 CovalentContact SG-SG 2.01Å; C448-C523 PolarHBondContact SG-SG 3.29Å; W470-C523 HydrophobicContact CD2-CB 3.96Å; W470-C523 HydrophobicContact CE3-CB 3.85Å; W470-C523 HydrophobicContact CH2-CB 3.79Å; W470-C523 HydrophobicContact CZ2-CB 3.86Å; W470-C523 HydrophobicContact CZ3-CB 3.77Å; C523-P539 CarbonylContact O-C 3.55Å; C523-P539 VanDerWaalsContact O-CA 3.26Å; C523-P539 WeakPolarHBondContact O-CA 3.5Å; C523-P539 WeakPolarHBondContact O-CB 3.39Å; C523-I540 PolarHBondContact O-N 2.99Å; C523-I541 HydrophobicContact CB-CG2 3.74Å; C523-I541 PolarHBondContact N-O 3.02Å
524Y76.9Confident62.1Low2 Ų266.5 Ų66.51%0.00835%0.354CS..EExtended strand (participates in β ladder)trans-117.2144.9174.4-65.4-95.9000109.8A468 Y469 I471 P479 P480 Y522 P539A468-Y524 CarbonylContact C-O 3.56Å; A468-Y524 WeakPolarHBondContact CA-O 3.13Å; A468-Y524 WeakPolarHBondContact CB-O 3.34Å; Y469-Y524 HydrophobicContact CD2-CD2 4.07Å; Y469-Y524 HydrophobicContact CD2-CG 4.43Å; Y469-Y524 VanDerWaalsContact CE1-CB 3.43Å; Y469-Y524 HydrophobicContact CE1-CG 4.26Å; Y469-Y524 HydrophobicContact CE2-CD1 4.49Å; Y469-Y524 AromaticContact CE2-CD2 3.38Å; Y469-Y524 HydrophobicContact CE2-CD2 3.38Å; Y469-Y524 HydrophobicContact CE2-CE2 4.2Å; Y469-Y524 AromaticContact CE2-CG 3.56Å; Y469-Y524 HydrophobicContact CE2-CG 3.56Å; Y469-Y524 AromaticContact CZ-CD2 3.83Å; Y469-Y524 AromaticContact CZ-CG 3.46Å; Y469-Y524 VanDerWaalsContact CZ-CG 3.46Å; Y469-Y524 PolarHBondContact N-O 3.23Å; Y469-Y524 PolarHBondContact O-N 3.41Å; Y469-Y524 VanDerWaalsContact OH-CB 3.3Å; Y469-Y524 WeakPolarHBondContact OH-CB 3.4Å; Y469-Y524 VanDerWaalsContact OH-CG 3.29Å; I471-Y524 HydrophobicContact CB-CE2 4.25Å; I471-Y524 HydrophobicContact CD1-CD2 4.11Å; I471-Y524 HydrophobicContact CD1-CE2 3.69Å; I471-Y524 HydrophobicContact CG1-CD2 4.21Å; I471-Y524 HydrophobicContact CG1-CE2 4Å; P479-Y524 VanDerWaalsContact CB-OH 3.28Å; P479-Y524 WeakPolarHBondContact CB-OH 3.41Å; P480-Y524 PolarHBondContact O-OH 3.05Å; Y522-Y524 HydrophobicContact CG-CE2 4.49Å; Y524-P539 HydrophobicContact CD1-CB 4.24Å; Y524-P539 HydrophobicContact CE1-CB 3.95Å; Y524-P539 HydrophobicContact CE1-CG 4.44Å; Y524-P539 HydrophobicContact CE2-CB 4.28Å
525M72.6Confident60.7Low27 Ų2766.8 Ų66.813%0.13336%0.356CS..EExtended strand (participates in β ladder)trans-103.5140.9168.2-79.3-81-7100110.6L458 N467 A468 Q536 I540L458-M525 HydrophobicContact CD1-SD 3.98Å; L458-M525 HydrophobicContact CD2-CE 3.29Å; L458-M525 HydrophobicContact CD2-SD 3.44Å; L458-M525 WeakPolarHBondContact CD2-SD 3.38Å; L458-M525 HydrophobicContact CG-SD 4.37Å; N467-M525 WeakPolarHBondContact O-CA 3.39Å; A468-M525 HydrophobicContact CB-CG 4.43Å; A468-M525 HydrophobicContact CB-SD 3.73Å; M525-Q536 PolarHBondContact O-OE1 2.93Å; M525-I540 HydrophobicContact CB-CD1 3.36Å; M525-I540 HydrophobicContact CG-CD1 3.11Å; M525-I540 HydrophobicContact CG-CG1 4.47Å
526K65.1Low60Low55 Ų5564.5 Ų64.524%0.23935%0.35CS..  trans-88.1123.2169.6-157.5171.1-175.4174.10108.2N465 N467 S528N465-K526 PolarHBondContact OD1-NZ 3.26Å; N467-K526 PolarHBondContact O-N 3.25Å; K526-S528 PolarHBondContact O-N 2.73Å
527N59Low59.2Low60 Ų6065.1 Ų65.132%0.32135%0.354SS..  trans-77.2113.5172.8-171.80.8000108.6T529 F530N527-T529 PolarHBondContact ND2-OG1 2.78Å; N527-T529 PolarHBondContact O-N 2.78Å; N527-T529 VanDerWaalsContact O-N 3.17Å; N527-T529 PolarHBondContact OD1-N 2.79Å; N527-T529 PolarHBondContact OD1-OG1 2.76Å; N527-F530 PolarHBondContact O-N 2.89Å
528S52.8Low58.8Low113 Ų11371 Ų7179%0.7938%0.379SS*.THydrogen-bonded Turntrans-68-11.9-178.467.50000113.9K526K526-S528 PolarHBondContact O-N 2.73Å
529T49.2Very low58.7Low105 Ų10568.4 Ų68.464%0.64437%0.366SS*.THydrogen-bonded Turntrans-80.3-17-17947.50000114N527N527-T529 PolarHBondContact ND2-OG1 2.78Å; N527-T529 PolarHBondContact O-N 2.78Å; N527-T529 VanDerWaalsContact O-N 3.17Å; N527-T529 PolarHBondContact OD1-N 2.79Å; N527-T529 PolarHBondContact OD1-OG1 2.76Å
530F43.4Very low58.6Low132 Ų13269.6 Ų69.658%0.57937%0.369SS*.SBendtrans-115.8136.9178.3-70.8-93.1000111.2N527 T534N527-F530 PolarHBondContact O-N 2.89Å; F530-T534 WeakPolarHBondContact CB-OG1 3.43Å
531N34.6Very low58.6Low146 Ų14668.9 Ų68.978%0.78137%0.365SS*.  trans-46.3151.4172.9-95.1-21000111.7T533 T534N531-T533 PolarHBondContact O-N 2.77Å; N531-T534 PolarHBondContact O-N 2.99Å
532M39.9Very low58.1Low124 Ų12469.1 Ų69.161%0.61137%0.367SS*.THydrogen-bonded Turntrans-41-16.1-171.4-83.7-132.9-165.900117.8
533T38.4Very low57.9Low129 Ų12968.8 Ų68.879%0.79137%0.365SS*.THydrogen-bonded Turntrans-85.6-21.9-175.348.90000114.8N531 Q535N531-T533 PolarHBondContact O-N 2.77Å; T533-Q535 PolarHBondContact O-N 2.82Å
534T40Very low57.4Low74 Ų7471.3 Ų71.345%0.45438%0.377SS..  trans-100.871.1178.459.10000110.8F530 N531F530-T534 WeakPolarHBondContact CB-OG1 3.43Å; N531-T534 PolarHBondContact O-N 2.99Å
535Q45.4Very low57.2Low74 Ų7471.3 Ų71.335%0.34638%0.377SS..  trans-58.7139165.3-148.1157.6-2.200108.2Y469 P482 T533 D537Y469-Q535 HydrophobicContact CE1-CG 4.25Å; Y469-Q535 WeakPolarHBondContact OH-CG 3.28Å; Y469-Q535 PolarHBondContact OH-NE2 3.44Å; P482-Q535 VanDerWaalsContact CB-CD 3.42Å; P482-Q535 HydrophobicContact CB-CG 4.49Å; P482-Q535 HydrophobicContact CG-CB 4.38Å; P482-Q535 HydrophobicContact CG-CG 4.02Å; T533-Q535 PolarHBondContact O-N 2.82Å; Q535-D537 PolarHBondContact O-N 3.09Å; Q535-D537 VanDerWaalsContact O-N 3.12Å
536Q50.3Low56.8Low75 Ų7575.4 Ų75.435%0.3539%0.392SS..  trans-63.4119.5172.3-74.8-172.5-26.500108.1M525 K538M525-Q536 PolarHBondContact O-OE1 2.93Å; Q536-K538 PolarHBondContact O-N 2.8Å
537D52.4Low56.9Low139 Ų13972.9 Ų72.974%0.74338%0.381SS*.SBendtrans-64.5-10.1179.5-69.2-33.8000113.3Q535Q535-D537 PolarHBondContact O-N 3.09Å; Q535-D537 VanDerWaalsContact O-N 3.12Å
538K63.7Low56.9Low133 Ų13373.8 Ų73.858%0.57838%0.384SS*.SBendtrans-125.7135.8-172.4-64.4-177.8-176.8176.60112Q536Q536-K538 PolarHBondContact O-N 2.8Å
539P68.9Low57.1Low8 Ų875.9 Ų75.95%0.05237%0.374CS..  trans-70.3150.8173.533.7-38.9000110.3I430 P479 Y522 C523 Y524 V542I430-P539 HydrophobicContact CD1-CG 4.01Å; P479-P539 HydrophobicContact CB-CG 3.87Å; P479-P539 HydrophobicContact CG-CG 4.42Å; Y522-P539 HydrophobicContact CD1-CB 4.23Å; Y522-P539 HydrophobicContact CD1-CG 4.04Å; C523-P539 CarbonylContact O-C 3.55Å; C523-P539 VanDerWaalsContact O-CA 3.26Å; C523-P539 WeakPolarHBondContact O-CA 3.5Å; C523-P539 WeakPolarHBondContact O-CB 3.39Å; Y524-P539 HydrophobicContact CD1-CB 4.24Å; Y524-P539 HydrophobicContact CE1-CB 3.95Å; Y524-P539 HydrophobicContact CE1-CG 4.44Å; Y524-P539 HydrophobicContact CE2-CB 4.28Å; P539-V542 HydrophobicContact CB-CG2 4.13Å; P539-V542 HydrophobicContact CG-CG2 3.83Å
540I68.8Low57.4Low37 Ų3773.1 Ų73.119%0.1936%0.357CS..SBendtrans-82.1-39175.6-74.5171.9000111.2N450 C523 M525N450-I540 HydrophobicContact CB-CD1 4.27Å; N450-I540 HydrophobicContact CB-CG2 4.33Å; C523-I540 PolarHBondContact O-N 2.99Å; M525-I540 HydrophobicContact CB-CD1 3.36Å; M525-I540 HydrophobicContact CG-CD1 3.11Å; M525-I540 HydrophobicContact CG-CG1 4.47Å
541I72.5Confident57.5Low3 Ų372.8 Ų72.82%0.01536%0.361CS..EExtended strand (participates in β ladder)trans-142.5146.2-179.5-170155.7000110.2P431 C523 Y543P431-I541 HydrophobicContact CG-CG1 4.36Å; C523-I541 HydrophobicContact CB-CG2 3.74Å; C523-I541 PolarHBondContact N-O 3.02Å; I541-Y543 HydrophobicContact CB-CE2 4.48Å; I541-Y543 HydrophobicContact CD1-CE1 4.14Å; I541-Y543 HydrophobicContact CD1-CE2 3.77Å; I541-Y543 VanDerWaalsContact CD1-CZ 3.49Å; I541-Y543 VanDerWaalsContact CD1-OH 3.31Å; I541-Y543 WeakPolarHBondContact CD1-OH 3.32Å; I541-Y543 HydrophobicContact CG1-CD2 4.26Å; I541-Y543 HydrophobicContact CG1-CE1 4.5Å; I541-Y543 HydrophobicContact CG1-CE2 3.77Å; I541-Y543 HydrophobicContact CG2-CD2 4.46Å; I541-Y543 HydrophobicContact CG2-CE2 3.9Å
542V69Low58.2Low7 Ų771.6 Ų71.64%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-128.6120.5178.7177.10000109.1I430 I432 H433 I520 Y521 Y522 P539I430-V542 HydrophobicContact CG2-CB 3.77Å; I430-V542 HydrophobicContact CG2-CG2 3.4Å; I432-V542 WeakPolarHBondContact CA-O 3.03Å; H433-V542 PolarHBondContact N-O 2.83Å; I520-V542 HydrophobicContact CG2-CG1 3.32Å; Y521-V542 WeakPolarHBondContact O-CA 3.17Å; Y522-V542 HydrophobicContact CD1-CB 4.46Å; Y522-V542 HydrophobicContact CD1-CG1 4.2Å; Y522-V542 HydrophobicContact CD1-CG2 3.45Å; Y522-V542 VanDerWaalsContact CD1-CG2 3.45Å; Y522-V542 HydrophobicContact CE1-CG1 4.02Å; Y522-V542 HydrophobicContact CE1-CG2 3.82Å; Y522-V542 HydrophobicContact CG-CG2 4.37Å; P539-V542 HydrophobicContact CB-CG2 4.13Å; P539-V542 HydrophobicContact CG-CG2 3.83Å
543Y74Confident58.5Low1 Ų173.6 Ų73.60%0.00436%0.362CS..EExtended strand (participates in β ladder)trans-104.4127.3173.8-68-75.6000109.2I414 H433 I435 L446 K447 W470 I520 Y521 I541I414-Y543 HydrophobicContact CB-CE1 4.44Å; I414-Y543 HydrophobicContact CG2-CE1 3.67Å; I414-Y543 PolarHBondContact O-OH 2.9Å; H433-Y543 HydrophobicContact CB-CD1 3.86Å; H433-Y543 HydrophobicContact CB-CE1 4.13Å; I435-Y543 HydrophobicContact CD1-CD1 3.48Å; I435-Y543 VanDerWaalsContact CD1-CD1 3.48Å; I435-Y543 HydrophobicContact CD1-CE1 4.2Å; I435-Y543 HydrophobicContact CD1-CG 4.23Å; L446-Y543 HydrophobicContact CB-CD2 4.14Å; L446-Y543 HydrophobicContact CB-CE2 4.1Å; L446-Y543 HydrophobicContact CD1-CD2 4.07Å; L446-Y543 HydrophobicContact CD1-CG 4.11Å; L446-Y543 HydrophobicContact CD2-CD1 4.18Å; L446-Y543 HydrophobicContact CD2-CD2 4.38Å; L446-Y543 HydrophobicContact CD2-CE1 4.45Å; L446-Y543 HydrophobicContact CD2-CG 4.11Å; L446-Y543 HydrophobicContact CG-CD2 4.44Å; K447-Y543 PolarHBondContact O-OH 3.45Å; W470-Y543 AromaticContact CH2-CD2 3.59Å; W470-Y543 HydrophobicContact CH2-CD2 3.59Å; W470-Y543 AromaticContact CH2-CE2 3.65Å; W470-Y543 HydrophobicContact CH2-CE2 3.65Å; W470-Y543 AromaticContact CZ3-CD2 3.82Å; W470-Y543 HydrophobicContact CZ3-CD2 3.82Å; W470-Y543 HydrophobicContact CZ3-CE2 4.33Å; I520-Y543 CarbonylContact C-O 3.59Å; I520-Y543 WeakPolarHBondContact CA-O 3.14Å; Y521-Y543 PolarHBondContact N-O 2.9Å; Y521-Y543 PolarHBondContact O-N 2.83Å; I541-Y543 HydrophobicContact CB-CE2 4.48Å; I541-Y543 HydrophobicContact CD1-CE1 4.14Å; I541-Y543 HydrophobicContact CD1-CE2 3.77Å; I541-Y543 VanDerWaalsContact CD1-CZ 3.49Å; I541-Y543 VanDerWaalsContact CD1-OH 3.31Å; I541-Y543 WeakPolarHBondContact CD1-OH 3.32Å; I541-Y543 HydrophobicContact CG1-CD2 4.26Å; I541-Y543 HydrophobicContact CG1-CE1 4.5Å; I541-Y543 HydrophobicContact CG1-CE2 3.77Å; I541-Y543 HydrophobicContact CG2-CD2 4.46Å; I541-Y543 HydrophobicContact CG2-CE2 3.9Å
544H69.4Low58.9Low54 Ų5476.6 Ų76.625%0.2536%0.359CS..EExtended strand (participates in β ladder)trans-106.2108.8171.5-176.5-147000108.3I432 H433 N434 I435I432-H544 HydrophobicContact CG2-CB 4.4Å; H433-H544 PolarHBondContact O-N 2.9Å; N434-H544 WeakPolarHBondContact CA-O 3.34Å; N434-H544 WeakPolarHBondContact OD1-CB 3.39Å; N434-H544 PolarHBondContact OD1-ND1 2.87Å; I435-H544 PolarHBondContact N-O 3.38Å
545L70.9Confident59.2Low1 Ų175.8 Ų75.81%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-95.2119.9-176.1-160.366.4000109.6I435 L437 L444 F510 L513 H517 G519 Y521 I547I435-L545 HydrophobicContact CB-CD1 3.84Å; I435-L545 HydrophobicContact CD1-CD1 4.36Å; I435-L545 HydrophobicContact CG2-CD1 3.72Å; L437-L545 HydrophobicContact CD1-CD1 3.56Å; L444-L545 HydrophobicContact CD2-CD1 3.74Å; L444-L545 HydrophobicContact CD2-CD2 4.17Å; F510-L545 HydrophobicContact CE1-CD2 4.18Å; F510-L545 HydrophobicContact CZ-CD2 4.15Å; L513-L545 HydrophobicContact CD2-CD2 4.26Å; H517-L545 HydrophobicContact CB-CD2 4.4Å; G519-L545 PolarHBondContact N-O 2.91Å; G519-L545 PolarHBondContact O-N 3.39Å; Y521-L545 HydrophobicContact CD2-CB 4.16Å; Y521-L545 HydrophobicContact CE2-CB 3.83Å; Y521-L545 HydrophobicContact CE2-CD2 3.93Å; L545-I547 HydrophobicContact CD2-CD1 3.85Å; L545-I547 HydrophobicContact CD2-CG1 4.24Å; L545-I547 HydrophobicContact CG-CD1 4.24Å; L545-I547 HydrophobicContact CG-CG1 4.09Å
546Y65.3Low59.6Low113 Ų11378.5 Ų78.544%0.44337%0.372SS..EExtended strand (participates in β ladder)trans-120.2109.9172.5-172.2-94.5000109.7I435 Y436 L437 Q548I435-Y546 PolarHBondContact O-N 2.04Å; Y436-Y546 CarbonylContact C-O 3.59Å; Y436-Y546 VanDerWaalsContact CA-O 3.29Å; Y436-Y546 WeakPolarHBondContact CA-O 3.4Å; Y436-Y546 AromaticContact CD1-CD1 3.62Å; Y436-Y546 HydrophobicContact CD1-CD1 3.62Å; Y436-Y546 HydrophobicContact CD1-CE1 4.45Å; Y436-Y546 HydrophobicContact CD1-CG 4.2Å; Y436-Y546 AromaticContact CE1-CD1 3.91Å; Y436-Y546 HydrophobicContact CE1-CD1 3.91Å; Y436-Y546 HydrophobicContact CE1-CG 4.23Å; L437-Y546 PolarHBondContact N-O 3.43Å; Y546-Q548 HydrophobicContact CD1-CB 4.47Å; Y546-Q548 HydrophobicContact CE1-CB 4Å
547I67.6Low60Low3 Ų381.9 Ų81.92%0.01539%0.388CS..EExtended strand (participates in β ladder)trans-103.5120179.9-54.7163.8000107.5L437 E439 L513 H514 H517 N518 L545L437-I547 HydrophobicContact CB-CG1 4.29Å; L437-I547 CarbonylContact O-C 3.59Å; L437-I547 VanDerWaalsContact O-CA 3.29Å; L437-I547 WeakPolarHBondContact O-CA 2.99Å; E439-I547 HydrophobicContact CB-CG2 4.04Å; L513-I547 HydrophobicContact CB-CD1 4.35Å; L513-I547 HydrophobicContact CD2-CD1 3.95Å; H514-I547 WeakPolarHBondContact O-CD1 3.45Å; H517-I547 HydrophobicContact CB-CD1 3.7Å; N518-I547 PolarHBondContact ND2-O 3.47Å; N518-I547 WeakPolarHBondContact OD1-CA 3.37Å; N518-I547 WeakPolarHBondContact OD1-CB 3.39Å; N518-I547 VanDerWaalsContact OD1-CG1 3.31Å; N518-I547 WeakPolarHBondContact OD1-CG1 3.36Å; N518-I547 PolarHBondContact OD1-N 2.84Å; L545-I547 HydrophobicContact CD2-CD1 3.85Å; L545-I547 HydrophobicContact CD2-CG1 4.24Å; L545-I547 HydrophobicContact CG-CD1 4.24Å; L545-I547 HydrophobicContact CG-CG1 4.09Å
548Q58.9Low60.4Low79 Ų7980.8 Ų80.837%0.36938%0.382SS..EExtended strand (participates in β ladder)trans-110.2152.5176.259.8-178.77.900110.3L437 N438 E439 Y546 V550L437-Q548 PolarHBondContact O-N 3.47Å; N438-Q548 CarbonylContact C-O 3.59Å; N438-Q548 WeakPolarHBondContact CA-O 3.38Å; E439-Q548 PolarHBondContact N-O 3.33Å; Y546-Q548 HydrophobicContact CD1-CB 4.47Å; Y546-Q548 HydrophobicContact CE1-CB 4Å; Q548-V550 HydrophobicContact CG-CG2 4.49Å
549R56.9Low60.5Low156 Ų15678.6 Ų78.659%0.58938%0.376SS*.  trans-87.3118.5166.8-171.3176.9-178.4174.40.5106N551R549-N551 PolarHBondContact O-N 2.89Å
550V55.2Low60.8Low47 Ų4781.8 Ų81.829%0.28539%0.392SS..  trans-81.7110.7170.2-165.60000106N438 Q548 D552N438-V550 HydrophobicContact CB-CG2 4.01Å; N438-V550 WeakPolarHBondContact ND2-CG2 3.16Å; N438-V550 WeakPolarHBondContact OD1-CG2 3.05Å; Q548-V550 HydrophobicContact CG-CG2 4.49Å; V550-D552 HydrophobicContact CG1-CB 4.26Å; V550-D552 WeakPolarHBondContact CG1-O 3.27Å
551N46.5Very low61.2Low126 Ų12684.1 Ų84.167%0.67440%0.404SS*.SBendtrans-70.5-25.5172.5-68.8-12.1000110.4R549 H553R549-N551 PolarHBondContact O-N 2.89Å; N551-H553 PolarHBondContact O-N 3.45Å
552D47.6Very low61.5Low121 Ų12188.1 Ų88.165%0.64742%0.424SS*.SBendtrans-94.495.1-179.3-49.3-38.3000109.9V550 W554V550-D552 HydrophobicContact CG1-CB 4.26Å; V550-D552 WeakPolarHBondContact CG1-O 3.27Å; D552-W554 VanDerWaalsContact C-N 3.29Å; D552-W554 PolarHBondContact O-N 2.92Å
553H46.2Very low62.1Low166 Ų16689.1 Ų89.177%0.76944%0.437SS*.  trans-64.3101.3162.9-71.747.1000106.3N551 P555N551-H553 PolarHBondContact O-N 3.45Å; H553-P555 WeakPolarHBondContact O-CD 3.31Å; H553-P555 VanDerWaalsContact O-N 3.1Å
554W47.9Very low62.7Low191 Ų19193.4 Ų93.472%0.72346%0.459SS*.PPolyproline II helixtrans-51123.1163.7-99.574.1000106.2D552 L556D552-W554 VanDerWaalsContact C-N 3.29Å; D552-W554 PolarHBondContact O-N 2.92Å; W554-L556 PolarHBondContact O-N 3.02Å
555P45.9Very low63.6Low58 Ų5894.9 Ų94.938%0.37747%0.467SS..PPolyproline II helixtrans-55.3124-17618-28.8000107.8H553 N559 I560H553-P555 WeakPolarHBondContact O-CD 3.31Å; H553-P555 VanDerWaalsContact O-N 3.1Å; P555-N559 HydrophobicContact CB-CB 3.33Å; P555-I560 HydrophobicContact CB-CG1 3.92Å; P555-I560 HydrophobicContact CG-CD1 4.35Å; P555-I560 HydrophobicContact CG-CG1 3.65Å
556L54.2Low64.4Low131 Ų13198.9 Ų98.969%0.68649%0.488SS*.PPolyproline II helixtrans-48.6152.6168.7-80.6109.9000108.1W554 N558 N559 I560W554-L556 PolarHBondContact O-N 3.02Å; L556-N558 CarbonylContact O-C 3.51Å; L556-N558 PolarHBondContact O-N 3.03Å; L556-N559 WeakPolarHBondContact O-CA 3.48Å; L556-N559 WeakPolarHBondContact O-CB 3.08Å; L556-N559 PolarHBondContact O-N 3.2Å; L556-I560 PolarHBondContact O-N 2.68Å
557Q58.1Low65.6Low146 Ų14699.4 Ų99.468%0.68250%0.498SS*.Hα-helixtrans-47.3-33.9-176.6-158.3169.31.100112.9I560 I561Q557-I560 PolarHBondContact O-N 3.5Å; Q557-I561 VanDerWaalsContact O-CG1 3.29Å; Q557-I561 WeakPolarHBondContact O-CG1 3.48Å; Q557-I561 PolarHBondContact O-N 2.92Å
558N60.1Low66.8Low116 Ų116104.1 Ų104.162%0.6252%0.522SS*.Hα-helixtrans-62.3-42.1171.3-75.513.3000114.5L556 I561 I562L556-N558 CarbonylContact O-C 3.51Å; L556-N558 PolarHBondContact O-N 3.03Å; N558-I561 PolarHBondContact O-N 2.86Å; N558-I562 WeakPolarHBondContact O-CB 3.44Å; N558-I562 WeakPolarHBondContact O-CD1 3.44Å; N558-I562 WeakPolarHBondContact O-CG1 3.33Å; N558-I562 PolarHBondContact O-N 3.21Å
559N67.8Low68.3Low87 Ų87104.7 Ų104.747%0.46553%0.527SS..Hα-helixtrans-70-31.7178-71.50.3000112.1P555 L556 G563P555-N559 HydrophobicContact CB-CB 3.33Å; L556-N559 WeakPolarHBondContact O-CA 3.48Å; L556-N559 WeakPolarHBondContact O-CB 3.08Å; L556-N559 PolarHBondContact O-N 3.2Å; N559-G563 PolarHBondContact O-N 3.34Å
560I74.3Confident69.8Low74 Ų74104.7 Ų104.738%0.37953%0.527SS..Hα-helixtrans-65.5-46.6171.2-63.2174.7000109.5P555 L556 Q557 I562 G563 I564P555-I560 HydrophobicContact CB-CG1 3.92Å; P555-I560 HydrophobicContact CG-CD1 4.35Å; P555-I560 HydrophobicContact CG-CG1 3.65Å; L556-I560 PolarHBondContact O-N 2.68Å; Q557-I560 PolarHBondContact O-N 3.5Å; I560-I562 VanDerWaalsContact C-N 3.34Å; I560-I562 PolarHBondContact O-N 3.23Å; I560-G563 PolarHBondContact O-N 3.32Å; I560-I564 HydrophobicContact CG2-CD1 3.85Å; I560-I564 HydrophobicContact CG2-CG1 4.43Å; I560-I564 VanDerWaalsContact O-CG1 3.3Å; I560-I564 WeakPolarHBondContact O-CG1 3.35Å; I560-I564 PolarHBondContact O-N 3.1Å
561I76.7Confident71.6Confident87 Ų87105.5 Ų105.545%0.44653%0.534SS..Hα-helixtrans-60.6-44.7176.5-67.6164.9000110.6Q557 N558 G563 I564 I565Q557-I561 VanDerWaalsContact O-CG1 3.29Å; Q557-I561 WeakPolarHBondContact O-CG1 3.48Å; Q557-I561 PolarHBondContact O-N 2.92Å; N558-I561 PolarHBondContact O-N 2.86Å; I561-G563 PolarHBondContact O-N 2.82Å; I561-I564 PolarHBondContact O-N 2.85Å; I561-I565 HydrophobicContact CG2-CD1 3.77Å; I561-I565 HydrophobicContact CG2-CG1 4.41Å; I561-I565 WeakPolarHBondContact O-CB 3.35Å; I561-I565 VanDerWaalsContact O-CG1 3.23Å; I561-I565 WeakPolarHBondContact O-CG1 3.44Å; I561-I565 PolarHBondContact O-N 3Å
562I80.1Confident73.8Confident86 Ų86105.8 Ų105.844%0.44153%0.53SS..Hα-helixtrans-61.1-44.2175.2-68.9161.2000110.7N558 I560 I564 I565 I566N558-I562 WeakPolarHBondContact O-CB 3.44Å; N558-I562 WeakPolarHBondContact O-CD1 3.44Å; N558-I562 WeakPolarHBondContact O-CG1 3.33Å; N558-I562 PolarHBondContact O-N 3.21Å; I560-I562 VanDerWaalsContact C-N 3.34Å; I560-I562 PolarHBondContact O-N 3.23Å; I562-I564 PolarHBondContact O-N 3.28Å; I562-I565 PolarHBondContact O-N 2.89Å; I562-I566 HydrophobicContact CG2-CD1 3.78Å; I562-I566 HydrophobicContact CG2-CG1 4.39Å; I562-I566 VanDerWaalsContact O-CG1 3.27Å; I562-I566 WeakPolarHBondContact O-CG1 3.18Å; I562-I566 PolarHBondContact O-N 3.07Å
563G81.5Confident75.9Confident29 Ų29103.6 Ų103.630%0.29952%0.517SS..Hα-helixtrans-61.1-42.3176.100000112.6N559 I560 I561 I566 L567N559-G563 PolarHBondContact O-N 3.34Å; I560-G563 PolarHBondContact O-N 3.32Å; I561-G563 PolarHBondContact O-N 2.82Å; G563-I566 PolarHBondContact O-N 3.16Å; G563-L567 WeakPolarHBondContact O-CB 3.43Å; G563-L567 WeakPolarHBondContact O-CG 3.34Å; G563-L567 PolarHBondContact O-N 3.23Å
564I86.2Confident78.1Confident91 Ų91100.7 Ų100.747%0.46751%0.507SS..Hα-helixtrans-64.2-43.4174.2-69.4168.5000110.6I560 I561 I562 I566 L567 I568I560-I564 HydrophobicContact CG2-CD1 3.85Å; I560-I564 HydrophobicContact CG2-CG1 4.43Å; I560-I564 VanDerWaalsContact O-CG1 3.3Å; I560-I564 WeakPolarHBondContact O-CG1 3.35Å; I560-I564 PolarHBondContact O-N 3.1Å; I561-I564 PolarHBondContact O-N 2.85Å; I562-I564 PolarHBondContact O-N 3.28Å; I564-I566 PolarHBondContact O-N 3.38Å; I564-L567 PolarHBondContact O-N 2.86Å; I564-I568 HydrophobicContact CG2-CD1 3.8Å; I564-I568 HydrophobicContact CG2-CG1 4.4Å; I564-I568 VanDerWaalsContact O-CG1 3.28Å; I564-I568 WeakPolarHBondContact O-CG1 3.37Å; I564-I568 PolarHBondContact O-N 2.99Å
565I88.1Confident80.2Confident84 Ų8495.7 Ų95.743%0.43149%0.493SS..Hα-helixtrans-61.3-44.7176.4-70.6165.9000110.7I561 I562 L567 I568 I569I561-I565 HydrophobicContact CG2-CD1 3.77Å; I561-I565 HydrophobicContact CG2-CG1 4.41Å; I561-I565 WeakPolarHBondContact O-CB 3.35Å; I561-I565 VanDerWaalsContact O-CG1 3.23Å; I561-I565 WeakPolarHBondContact O-CG1 3.44Å; I561-I565 PolarHBondContact O-N 3Å; I562-I565 PolarHBondContact O-N 2.89Å; I565-L567 VanDerWaalsContact C-N 3.33Å; I565-L567 PolarHBondContact O-N 2.78Å; I565-I568 PolarHBondContact O-N 3Å; I565-I569 HydrophobicContact CG2-CD1 3.82Å; I565-I569 HydrophobicContact CG2-CG1 4.48Å; I565-I569 VanDerWaalsContact O-CG1 3.31Å; I565-I569 WeakPolarHBondContact O-CG1 3.42Å; I565-I569 PolarHBondContact O-N 2.02Å
566I88Confident82.3Confident86 Ų8697.4 Ų97.444%0.44150%0.498SS..Hα-helixtrans-61-43.5176.5-69.8167000110.5I562 G563 I564 I569 W570I562-I566 HydrophobicContact CG2-CD1 3.78Å; I562-I566 HydrophobicContact CG2-CG1 4.39Å; I562-I566 VanDerWaalsContact O-CG1 3.27Å; I562-I566 WeakPolarHBondContact O-CG1 3.18Å; I562-I566 PolarHBondContact O-N 3.07Å; G563-I566 PolarHBondContact O-N 3.16Å; I564-I566 PolarHBondContact O-N 3.38Å; I566-I569 PolarHBondContact O-N 2.9Å; I566-W570 WeakPolarHBondContact O-CB 3.5Å; I566-W570 PolarHBondContact O-N 3.14Å
567L90.1Very high84.1Confident123 Ų12395.6 Ų95.664%0.64449%0.488SS*.Hα-helixtrans-63.3-40.5176.4-76.6167.4000112.3G563 I564 I565 W570 S571G563-L567 WeakPolarHBondContact O-CB 3.43Å; G563-L567 WeakPolarHBondContact O-CG 3.34Å; G563-L567 PolarHBondContact O-N 3.23Å; I564-L567 PolarHBondContact O-N 2.86Å; I565-L567 VanDerWaalsContact C-N 3.33Å; I565-L567 PolarHBondContact O-N 2.78Å; L567-W570 PolarHBondContact O-N 2.85Å; L567-S571 WeakPolarHBondContact O-CB 3.27Å; L567-S571 PolarHBondContact O-N 2.9Å
568I91.7Very high85.7Confident103 Ų10397 Ų9753%0.52849%0.487SS..Hα-helixtrans-63.1-45.5175.3-70166.1000110.5I564 I565 S571 F572I564-I568 HydrophobicContact CG2-CD1 3.8Å; I564-I568 HydrophobicContact CG2-CG1 4.4Å; I564-I568 VanDerWaalsContact O-CG1 3.28Å; I564-I568 WeakPolarHBondContact O-CG1 3.37Å; I564-I568 PolarHBondContact O-N 2.99Å; I565-I568 PolarHBondContact O-N 3Å; I568-S571 WeakPolarHBondContact O-CB 3.34Å; I568-S571 PolarHBondContact O-N 2.77Å; I568-F572 PolarHBondContact O-N 2.83Å
569I91.6Very high87.2Confident91 Ų9195 Ų9547%0.46748%0.475SS..Hα-helixtrans-61.8-47177.9-69166.7000110.7I565 I566 S571 F572 I573I565-I569 HydrophobicContact CG2-CD1 3.82Å; I565-I569 HydrophobicContact CG2-CG1 4.48Å; I565-I569 VanDerWaalsContact O-CG1 3.31Å; I565-I569 WeakPolarHBondContact O-CG1 3.42Å; I565-I569 PolarHBondContact O-N 2.02Å; I566-I569 PolarHBondContact O-N 2.9Å; I569-S571 VanDerWaalsContact C-N 3.34Å; I569-S571 PolarHBondContact O-N 2.89Å; I569-F572 WeakPolarHBondContact O-CB 3.42Å; I569-F572 PolarHBondContact O-N 2.82Å; I569-F572 VanDerWaalsContact O-N 3.12Å; I569-I573 HydrophobicContact CG2-CD1 3.94Å; I569-I573 WeakPolarHBondContact O-CG1 3.17Å; I569-I573 PolarHBondContact O-N 2.87Å
570W89.1Confident88.2Confident156 Ų15696.3 Ų96.359%0.59148%0.482SS*.Hα-helixtrans-61.7-41.2176.8-9399.5000112.5I566 L567 F572 I573 L574I566-W570 WeakPolarHBondContact O-CB 3.5Å; I566-W570 PolarHBondContact O-N 3.14Å; L567-W570 PolarHBondContact O-N 2.85Å; W570-F572 VanDerWaalsContact C-N 3.29Å; W570-F572 PolarHBondContact O-N 3.49Å; W570-I573 PolarHBondContact O-N 3.27Å; W570-L574 WeakPolarHBondContact O-CG 3.09Å; W570-L574 PolarHBondContact O-N 3.09Å
571S92.6Very high88.9Confident63 Ų6397.6 Ų97.644%0.44149%0.489SS..Hα-helixtrans-60.6-40.2173.4-172.30000111.4L567 I568 I569 L574 I575L567-S571 WeakPolarHBondContact O-CB 3.27Å; L567-S571 PolarHBondContact O-N 2.9Å; I568-S571 WeakPolarHBondContact O-CB 3.34Å; I568-S571 PolarHBondContact O-N 2.77Å; I569-S571 VanDerWaalsContact C-N 3.34Å; I569-S571 PolarHBondContact O-N 2.89Å; S571-L574 PolarHBondContact O-N 3.13Å; S571-I575 WeakPolarHBondContact O-CD1 3.18Å; S571-I575 VanDerWaalsContact O-CG1 3.24Å; S571-I575 WeakPolarHBondContact O-CG1 3.32Å; S571-I575 PolarHBondContact O-N 3.19Å
572F92.2Very high89.5Confident133 Ų13397.4 Ų97.458%0.58349%0.486SS*.Hα-helixtrans-67.1-41.6178.3-142.5-84.1000112I568 I569 W570 L574 I575 M576I568-F572 PolarHBondContact O-N 2.83Å; I569-F572 WeakPolarHBondContact O-CB 3.42Å; I569-F572 PolarHBondContact O-N 2.82Å; I569-F572 VanDerWaalsContact O-N 3.12Å; W570-F572 VanDerWaalsContact C-N 3.29Å; W570-F572 PolarHBondContact O-N 3.49Å; F572-L574 VanDerWaalsContact C-N 3.35Å; F572-L574 PolarHBondContact O-N 3.38Å; F572-I575 PolarHBondContact O-N 2.9Å; F572-M576 HydrophobicContact CD1-CG 4.14Å; F572-M576 HydrophobicContact CE1-CG 4.4Å; F572-M576 HydrophobicContact CE1-SD 4.45Å; F572-M576 WeakPolarHBondContact O-CG 3.49Å; F572-M576 PolarHBondContact O-N 3.5Å
573I91.6Very high89.9Confident75 Ų7597.5 Ų97.539%0.38549%0.487SS..Hα-helixtrans-60.6-45.4174.8-68.4166.6000110.5I569 W570 I575 M576 I577I569-I573 HydrophobicContact CG2-CD1 3.94Å; I569-I573 WeakPolarHBondContact O-CG1 3.17Å; I569-I573 PolarHBondContact O-N 2.87Å; W570-I573 PolarHBondContact O-N 3.27Å; I573-I575 VanDerWaalsContact C-N 3.34Å; I573-I575 PolarHBondContact O-N 3.37Å; I573-M576 PolarHBondContact O-N 3.33Å; I573-I577 HydrophobicContact CG2-CD1 3.85Å; I573-I577 HydrophobicContact CG2-CG1 4.48Å; I573-I577 WeakPolarHBondContact O-CG1 3.39Å; I573-I577 PolarHBondContact O-N 3.41Å
574L91.9Very high90Very high104 Ų10499.8 Ų99.855%0.54550%0.498SS..Hα-helixtrans-63-40.2177.8-72.2169.8000111.9W570 S571 F572 I577 W578W570-L574 WeakPolarHBondContact O-CG 3.09Å; W570-L574 PolarHBondContact O-N 3.09Å; S571-L574 PolarHBondContact O-N 3.13Å; F572-L574 VanDerWaalsContact C-N 3.35Å; F572-L574 PolarHBondContact O-N 3.38Å; L574-I577 PolarHBondContact O-N 2.88Å; L574-W578 WeakPolarHBondContact O-CB 3.26Å; L574-W578 PolarHBondContact O-N 3.49Å
575I93.1Very high90Very high86 Ų8699.5 Ų99.544%0.44150%0.496SS..Hα-helixtrans-62.7-44.7174.4-70.3162.9000110.9S571 F572 I573 W578 I579S571-I575 WeakPolarHBondContact O-CD1 3.18Å; S571-I575 VanDerWaalsContact O-CG1 3.24Å; S571-I575 WeakPolarHBondContact O-CG1 3.32Å; S571-I575 PolarHBondContact O-N 3.19Å; F572-I575 PolarHBondContact O-N 2.9Å; I573-I575 VanDerWaalsContact C-N 3.34Å; I573-I575 PolarHBondContact O-N 3.37Å; I575-W578 WeakPolarHBondContact O-CB 3.37Å; I575-W578 PolarHBondContact O-N 3.38Å; I575-W578 VanDerWaalsContact O-N 3.16Å; I575-I579 HydrophobicContact CG2-CD1 3.84Å; I575-I579 HydrophobicContact CG2-CG1 4.4Å; I575-I579 WeakPolarHBondContact O-CG1 3.44Å; I575-I579 PolarHBondContact O-N 2.96Å
576M90.4Very high89.7Confident95 Ų9598.9 Ų98.947%0.46849%0.494SS..Hα-helixtrans-63.9-42.7178.6-70.4-62.3-68.500112.3F572 I573 W578 I579 L580F572-M576 HydrophobicContact CD1-CG 4.14Å; F572-M576 HydrophobicContact CE1-CG 4.4Å; F572-M576 HydrophobicContact CE1-SD 4.45Å; F572-M576 WeakPolarHBondContact O-CG 3.49Å; F572-M576 PolarHBondContact O-N 3.5Å; I573-M576 PolarHBondContact O-N 3.33Å; M576-W578 PolarHBondContact O-N 2.99Å; M576-I579 PolarHBondContact O-N 3.44Å; M576-I579 HydrophobicContact SD-CD1 4.45Å; M576-L580 WeakPolarHBondContact O-CG 3.2Å; M576-L580 PolarHBondContact O-N 3.37Å
577I91.1Very high89.4Confident93 Ų93102.1 Ų102.148%0.47750%0.501SS..Hα-helixtrans-59-42.1173.3-70168000109.9I573 L574 L580 L581I573-I577 HydrophobicContact CG2-CD1 3.85Å; I573-I577 HydrophobicContact CG2-CG1 4.48Å; I573-I577 WeakPolarHBondContact O-CG1 3.39Å; I573-I577 PolarHBondContact O-N 3.41Å; L574-I577 PolarHBondContact O-N 2.88Å; I577-L580 PolarHBondContact O-N 3.26Å; I577-L581 WeakPolarHBondContact O-CB 3.29Å; I577-L581 PolarHBondContact O-N 3.14Å
578W91.6Very high89Confident174 Ų174100.4 Ų100.466%0.65950%0.496SS*.Hα-helixtrans-67-40.9-180-157.780.1000112.7L574 I575 M576 L581 H582L574-W578 WeakPolarHBondContact O-CB 3.26Å; L574-W578 PolarHBondContact O-N 3.49Å; I575-W578 WeakPolarHBondContact O-CB 3.37Å; I575-W578 PolarHBondContact O-N 3.38Å; I575-W578 VanDerWaalsContact O-N 3.16Å; M576-W578 PolarHBondContact O-N 2.99Å; W578-L581 PolarHBondContact O-N 3.46Å; W578-H582 WeakPolarHBondContact O-CB 3.29Å; W578-H582 PolarHBondContact O-N 2.87Å
579I91Very high88.4Confident74 Ų7499.7 Ų99.738%0.37949%0.493SS..Hα-helixtrans-61.9-48173.7-68.1166.1000110.6I575 M576 L581 H582 D583I575-I579 HydrophobicContact CG2-CD1 3.84Å; I575-I579 HydrophobicContact CG2-CG1 4.4Å; I575-I579 WeakPolarHBondContact O-CG1 3.44Å; I575-I579 PolarHBondContact O-N 2.96Å; M576-I579 PolarHBondContact O-N 3.44Å; M576-I579 HydrophobicContact SD-CD1 4.45Å; I579-L581 VanDerWaalsContact C-N 3.26Å; I579-L581 PolarHBondContact O-N 3.48Å; I579-H582 WeakPolarHBondContact O-CB 3.32Å; I579-H582 PolarHBondContact O-N 3.14Å; I579-H582 VanDerWaalsContact O-N 3.11Å; I579-D583 PolarHBondContact O-N 3.16Å
580L90.3Very high87.5Confident115 Ų115101.7 Ų101.760%0.60250%0.501SS*.Hα-helixtrans-60.3-37.9177.5-72171.2000112.1M576 I577 C584M576-L580 WeakPolarHBondContact O-CG 3.2Å; M576-L580 PolarHBondContact O-N 3.37Å; I577-L580 PolarHBondContact O-N 3.26Å; L580-C584 VanDerWaalsContact O-CB 3.26Å; L580-C584 WeakPolarHBondContact O-CB 3.4Å; L580-C584 PolarHBondContact O-N 3.37Å
581L89.3Confident86.8Confident101 Ų10197.9 Ų97.953%0.52949%0.491SS..Hα-helixtrans-67.3-40.7176-153.6116.2000111.1I577 W578 I579 C584 I585I577-L581 WeakPolarHBondContact O-CB 3.29Å; I577-L581 PolarHBondContact O-N 3.14Å; W578-L581 PolarHBondContact O-N 3.46Å; I579-L581 VanDerWaalsContact C-N 3.26Å; I579-L581 PolarHBondContact O-N 3.48Å; L581-C584 PolarHBondContact O-N 2.67Å; L581-I585 HydrophobicContact CD2-CD1 3.93Å; L581-I585 WeakPolarHBondContact O-CD1 3.12Å; L581-I585 VanDerWaalsContact O-CG1 3.23Å; L581-I585 WeakPolarHBondContact O-CG1 3.44Å; L581-I585 PolarHBondContact O-N 3.17Å
582H88.4Confident85.6Confident84 Ų8496.8 Ų96.839%0.38949%0.49SS..Hα-helixtrans-66.3-42.9176.2-169-66000112.2W578 I579 C584 I585 N586W578-H582 WeakPolarHBondContact O-CB 3.29Å; W578-H582 PolarHBondContact O-N 2.87Å; I579-H582 WeakPolarHBondContact O-CB 3.32Å; I579-H582 PolarHBondContact O-N 3.14Å; I579-H582 VanDerWaalsContact O-N 3.11Å; H582-C584 VanDerWaalsContact C-N 3.33Å; H582-I585 PolarHBondContact O-N 3.28Å; H582-N586 PolarHBondContact CE1-ND2 3.46Å; H582-N586 PolarHBondContact ND1-ND2 2.91Å; H582-N586 WeakPolarHBondContact O-CB 3.36Å; H582-N586 PolarHBondContact O-N 3.34Å
583D87.5Confident83.8Confident88 Ų8896.6 Ų96.647%0.47150%0.495SS..Hα-helixtrans-64.9-38.6175.6-74.1-19.6000111.2I579 N586 Y587I579-D583 PolarHBondContact O-N 3.16Å; D583-N586 PolarHBondContact O-N 3.15Å; D583-Y587 VanDerWaalsContact O-CB 3.28Å; D583-Y587 WeakPolarHBondContact O-CB 3.31Å; D583-Y587 PolarHBondContact O-N 2.83Å
584C85.5Confident82Confident76 Ų7699 Ų9951%0.51451%0.508SS..Hα-helixtrans-61.5-45.7172.7-173.40000111.4L580 L581 H582 Y587 V588L580-C584 VanDerWaalsContact O-CB 3.26Å; L580-C584 WeakPolarHBondContact O-CB 3.4Å; L580-C584 PolarHBondContact O-N 3.37Å; L581-C584 PolarHBondContact O-N 2.67Å; H582-C584 VanDerWaalsContact C-N 3.33Å; C584-Y587 PolarHBondContact O-N 2.84Å; C584-V588 VanDerWaalsContact O-CG2 3.25Å; C584-V588 WeakPolarHBondContact O-CG2 3.21Å; C584-V588 PolarHBondContact O-N 2.85Å
585I84.4Confident80.2Confident86 Ų86103.1 Ų103.144%0.44152%0.518SS..Hα-helixtrans-62.4-43.8176.1-69.4163.5000111L581 H582 V588 N589L581-I585 HydrophobicContact CD2-CD1 3.93Å; L581-I585 WeakPolarHBondContact O-CD1 3.12Å; L581-I585 VanDerWaalsContact O-CG1 3.23Å; L581-I585 WeakPolarHBondContact O-CG1 3.44Å; L581-I585 PolarHBondContact O-N 3.17Å; H582-I585 PolarHBondContact O-N 3.28Å; I585-V588 PolarHBondContact O-N 2.68Å; I585-N589 WeakPolarHBondContact O-CB 3.27Å; I585-N589 VanDerWaalsContact O-CG 3.25Å; I585-N589 PolarHBondContact O-N 3.23Å; I585-N589 PolarHBondContact O-ND2 3.26Å
586N82.3Confident78Confident70 Ų70107.9 Ų107.937%0.37454%0.538SS..Hα-helixtrans-64.2-40.9177.5-83.4-9.1000112.5H582 D583 N589 Q590H582-N586 PolarHBondContact CE1-ND2 3.46Å; H582-N586 PolarHBondContact ND1-ND2 2.91Å; H582-N586 WeakPolarHBondContact O-CB 3.36Å; H582-N586 PolarHBondContact O-N 3.34Å; D583-N586 PolarHBondContact O-N 3.15Å; N586-N589 PolarHBondContact O-N 3.42Å; N586-Q590 PolarHBondContact O-N 3.27Å
587Y82.1Confident75.8Confident154 Ų154110.6 Ų110.660%0.60457%0.566SS**Hα-helixtrans-64.3-43176.4-175.1-104.2000111.3D583 C584 N589 Q590 I591D583-Y587 VanDerWaalsContact O-CB 3.28Å; D583-Y587 WeakPolarHBondContact O-CB 3.31Å; D583-Y587 PolarHBondContact O-N 2.83Å; C584-Y587 PolarHBondContact O-N 2.84Å; Y587-N589 VanDerWaalsContact C-N 3.33Å; Y587-N589 PolarHBondContact O-N 3.11Å; Y587-Q590 PolarHBondContact O-N 3.35Å; Y587-I591 HydrophobicContact CD1-CD1 3.67Å; Y587-I591 HydrophobicContact CE1-CD1 3.24Å; Y587-I591 HydrophobicContact CE1-CG1 4.33Å; Y587-I591 HydrophobicContact CE2-CD1 4.45Å; Y587-I591 HydrophobicContact CG-CD1 4.44Å; Y587-I591 WeakPolarHBondContact O-CG1 3.07Å; Y587-I591 PolarHBondContact O-N 3.36Å
588V80.7Confident75Confident88 Ų88111.5 Ų111.553%0.53357%0.57SS.*Hα-helixtrans-61.7-41.4173.3172.20000111C584 I585 I591 G592C584-V588 VanDerWaalsContact O-CG2 3.25Å; C584-V588 WeakPolarHBondContact O-CG2 3.21Å; C584-V588 PolarHBondContact O-N 2.85Å; I585-V588 PolarHBondContact O-N 2.68Å; V588-I591 PolarHBondContact O-N 3.09Å; V588-G592 PolarHBondContact O-N 3.5Å
589N78.9Confident74.2Confident87 Ų87108.2 Ų108.247%0.46557%0.566SS.*Hα-helixtrans-67-36.6177-73.6-17.1000112.7I585 N586 Y587 G592 L593I585-N589 WeakPolarHBondContact O-CB 3.27Å; I585-N589 VanDerWaalsContact O-CG 3.25Å; I585-N589 PolarHBondContact O-N 3.23Å; I585-N589 PolarHBondContact O-ND2 3.26Å; N586-N589 PolarHBondContact O-N 3.42Å; Y587-N589 VanDerWaalsContact C-N 3.33Å; Y587-N589 PolarHBondContact O-N 3.11Å; N589-G592 PolarHBondContact O-N 3.38Å; N589-L593 WeakPolarHBondContact O-CB 3.09Å; N589-L593 WeakPolarHBondContact O-CG 3.29Å; N589-L593 PolarHBondContact O-N 2.75Å
590Q74.2Confident73.2Confident133 Ų133110.1 Ų110.162%0.62158%0.576SS**Hα-helixtrans-67.4-40.3174.2-79.1-172.9-9.100112.2N586 Y587 G592 L593 N594N586-Q590 PolarHBondContact O-N 3.27Å; Y587-Q590 PolarHBondContact O-N 3.35Å; Q590-G592 VanDerWaalsContact C-N 3.31Å; Q590-L593 PolarHBondContact O-N 3.41Å; Q590-N594 PolarHBondContact O-N 3.05Å; Q590-N594 VanDerWaalsContact O-N 3.15Å
591I74.7Confident72.2Confident76 Ų76109.8 Ų109.839%0.3958%0.575SS.*Hα-helixtrans-64.2-40.4173-67.2168.6000110.3Y587 V588 N594Y587-I591 HydrophobicContact CD1-CD1 3.67Å; Y587-I591 HydrophobicContact CE1-CD1 3.24Å; Y587-I591 HydrophobicContact CE1-CG1 4.33Å; Y587-I591 HydrophobicContact CE2-CD1 4.45Å; Y587-I591 HydrophobicContact CG-CD1 4.44Å; Y587-I591 WeakPolarHBondContact O-CG1 3.07Å; Y587-I591 PolarHBondContact O-N 3.36Å; V588-I591 PolarHBondContact O-N 3.09Å; I591-N594 PolarHBondContact O-N 2.98Å
592G65.7Low71.2Confident41 Ų41110.4 Ų110.442%0.42358%0.578SS.*Hα-helixtrans-64.9-37177.300000113.6V588 N589 Q590 Y595V588-G592 PolarHBondContact O-N 3.5Å; N589-G592 PolarHBondContact O-N 3.38Å; Q590-G592 VanDerWaalsContact C-N 3.31Å; G592-Y595 PolarHBondContact O-N 3.32Å
593L55.3Low70Confident129 Ų129112.1 Ų112.168%0.67559%0.59SS**Hα-helixtrans-74.6-28.8178.5-76.2166.2000113N589 Q590 Y595 H596N589-L593 WeakPolarHBondContact O-CB 3.09Å; N589-L593 WeakPolarHBondContact O-CG 3.29Å; N589-L593 PolarHBondContact O-N 2.75Å; Q590-L593 PolarHBondContact O-N 3.41Å; L593-Y595 PolarHBondContact O-N 2.05Å; L593-H596 PolarHBondContact O-N 3.14Å
594N54Low68.8Low124 Ų124113.9 Ų113.966%0.66360%0.599SS**THydrogen-bonded Turntrans-72.7-3.4172.6-78-5.7000113.8Q590 I591Q590-N594 PolarHBondContact O-N 3.05Å; Q590-N594 VanDerWaalsContact O-N 3.15Å; I591-N594 PolarHBondContact O-N 2.98Å
595Y54.2Low67.5Low192 Ų192116.8 Ų116.875%0.75361%0.605SS**THydrogen-bonded Turntrans-95.1-1.5174.3-97.8-83.8000114.2G592 L593G592-Y595 PolarHBondContact O-N 3.32Å; L593-Y595 PolarHBondContact O-N 2.05Å
596H47.4Very low66.1Low186 Ų186119.3 Ų119.386%0.86162%0.619SS**  trans-125.520.4177.3-85.1-53.8000115.3L593L593-H596 PolarHBondContact O-N 3.14Å
597S43.1Very low64.6Low152 Ų152123.8 Ų123.8100%1.06364%0.641SS**  trans-125.20160.265.80000109.5

Retrieved 597 of 597 residues in 392.8 ms (Link to these results)

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