A0A087WXK2_HUMAN Loading...

Paternally expressed 10

AlphaFold DB , UniProt , Accession A0A087WXK2, Species HUMAN (Homo sapiens, Human), Gene PEG10, Length 707 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
1M53Low73.7Confident201 Ų201131.1 Ų131.199%0.9961%0.612SS**  0135.60-102.7-178.3-91.800107.7
2T60Low74.8Confident104 Ų104129.8 Ų129.864%0.63861%0.606SS**  trans-71148.7-176.239.70000111.8R4 R5T2-R4 VanDerWaalsContact C-N 3.3Å; T2-R4 PolarHBondContact O-N 3.29Å; T2-R5 PolarHBondContact O-N 3Å
3E66.1Low75.8Confident148 Ų148126.2 Ų126.269%0.69259%0.592SS**Hα-helixtrans-55.9-41.9-176.4-68.4174.113800112.4R5 R6 D7E3-R5 PolarHBondContact O-N 3.04Å; E3-R6 WeakPolarHBondContact O-CA 3.42Å; E3-R6 VanDerWaalsContact O-CB 3.3Å; E3-R6 WeakPolarHBondContact O-CB 3.35Å; E3-R6 PolarHBondContact O-N 2.88Å; E3-D7 PolarHBondContact O-N 3.01Å; E3-D7 VanDerWaalsContact O-N 3.1Å
4R68.8Low76.6Confident196 Ų196123.4 Ų123.474%0.7458%0.583SS**Hα-helixtrans-44.5-42.2171.4-80.3-172.5176.2173-1.8114.4T2 R6 D7 E8T2-R4 VanDerWaalsContact C-N 3.3Å; T2-R4 PolarHBondContact O-N 3.29Å; R4-R6 VanDerWaalsContact C-N 3.29Å; R4-R6 PolarHBondContact O-N 3.1Å; R4-D7 PolarHBondContact O-N 3.42Å; R4-E8 WeakPolarHBondContact O-CB 3.42Å; R4-E8 VanDerWaalsContact O-CG 3.22Å; R4-E8 WeakPolarHBondContact O-CG 3.22Å; R4-E8 PolarHBondContact O-N 2.83Å
5R69.8Low77.4Confident141 Ų141120.7 Ų120.753%0.53257%0.573SS.*Hα-helixtrans-74.1-21.1-177.7-165.8171179.4-179.1-0.7112.8T2 E3 L9T2-R5 PolarHBondContact O-N 3Å; E3-R5 PolarHBondContact O-N 3.04Å; R5-L9 WeakPolarHBondContact O-CB 3.3Å; R5-L9 WeakPolarHBondContact O-CD1 3.45Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.47Å; R5-L9 PolarHBondContact O-N 3.21Å
6R77.1Confident78Confident169 Ų169119.4 Ų119.464%0.63857%0.57SS**Hα-helixtrans-76.9-38.8169.5-176.3-171.9-70.7145.9-5.2110.5E3 R4 S10E3-R6 WeakPolarHBondContact O-CA 3.42Å; E3-R6 VanDerWaalsContact O-CB 3.3Å; E3-R6 WeakPolarHBondContact O-CB 3.35Å; E3-R6 PolarHBondContact O-N 2.88Å; R4-R6 VanDerWaalsContact C-N 3.29Å; R4-R6 PolarHBondContact O-N 3.1Å; R6-S10 WeakPolarHBondContact O-CB 3.25Å; R6-S10 PolarHBondContact O-N 2.71Å; R6-S10 PolarHBondContact O-OG 3.39Å
7D81.3Confident78.7Confident97 Ų97121.8 Ų121.852%0.51957%0.572SS.*Hα-helixtrans-68.2-47.8179.3-54-30.9000110.5E3 R4 L9 S10 E11E3-D7 PolarHBondContact O-N 3.01Å; E3-D7 VanDerWaalsContact O-N 3.1Å; R4-D7 PolarHBondContact O-N 3.42Å; D7-L9 PolarHBondContact O-N 3Å; D7-S10 WeakPolarHBondContact O-CB 3.47Å; D7-S10 PolarHBondContact O-N 2.96Å; D7-E11 PolarHBondContact O-N 3.4Å
8E80.5Confident79.4Confident112 Ų112122.5 Ų122.552%0.52358%0.575SS.*Hα-helixtrans-52.5-48.8172.4-73.1159.6-169.200112.1R4 S10 E11 E12R4-E8 WeakPolarHBondContact O-CB 3.42Å; R4-E8 VanDerWaalsContact O-CG 3.22Å; R4-E8 WeakPolarHBondContact O-CG 3.22Å; R4-E8 PolarHBondContact O-N 2.83Å; E8-S10 VanDerWaalsContact C-N 3.3Å; E8-S10 PolarHBondContact O-N 3.37Å; E8-E11 PolarHBondContact O-N 3.02Å; E8-E12 WeakPolarHBondContact O-CB 3.41Å; E8-E12 PolarHBondContact O-N 3Å
9L81.6Confident79.8Confident85 Ų85123.6 Ų123.645%0.44558%0.578SS.*Hα-helixtrans-65.7-31.2176.8-77.1170.8000113R5 D7 I13R5-L9 WeakPolarHBondContact O-CB 3.3Å; R5-L9 WeakPolarHBondContact O-CD1 3.45Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.47Å; R5-L9 PolarHBondContact O-N 3.21Å; D7-L9 PolarHBondContact O-N 3Å; L9-I13 WeakPolarHBondContact O-CB 3.2Å; L9-I13 WeakPolarHBondContact O-CD1 3.41Å; L9-I13 WeakPolarHBondContact O-CG1 3.42Å; L9-I13 PolarHBondContact O-N 3.39Å
10S84.1Confident80.3Confident56 Ų56122.5 Ų122.539%0.39258%0.58SS.*Hα-helixtrans-74.3-37.2178.7-57.90000111.3R6 D7 E8 N14R6-S10 WeakPolarHBondContact O-CB 3.25Å; R6-S10 PolarHBondContact O-N 2.71Å; R6-S10 PolarHBondContact O-OG 3.39Å; D7-S10 WeakPolarHBondContact O-CB 3.47Å; D7-S10 PolarHBondContact O-N 2.96Å; E8-S10 VanDerWaalsContact C-N 3.3Å; E8-S10 PolarHBondContact O-N 3.37Å; S10-N14 VanDerWaalsContact O-CG 3.26Å; S10-N14 PolarHBondContact O-N 2.92Å; S10-N14 PolarHBondContact O-ND2 3.05Å
11E88.6Confident80.7Confident133 Ų133122.6 Ų122.662%0.62158%0.581SS**Hα-helixtrans-66.6-41.8172.2-168.6169.6-163.300111.3D7 E8 N14 N15D7-E11 PolarHBondContact O-N 3.4Å; E8-E11 PolarHBondContact O-N 3.02Å; E11-N14 PolarHBondContact O-N 3.28Å; E11-N15 WeakPolarHBondContact O-CB 3.47Å; E11-N15 PolarHBondContact O-N 2.95Å; E11-N15 PolarHBondContact O-ND2 3.3Å
12E86.5Confident82.4Confident115 Ų115119 Ų11954%0.53756%0.56SS.*Hα-helixtrans-63.2-42.4174.7-168.7169.2-145.800112.4E8 N14 N15 L16E8-E12 WeakPolarHBondContact O-CB 3.41Å; E8-E12 PolarHBondContact O-N 3Å; E12-N14 PolarHBondContact O-N 2.98Å; E12-N15 PolarHBondContact O-N 3.41Å; E12-L16 WeakPolarHBondContact O-CG 3.35Å; E12-L16 PolarHBondContact O-N 3.48Å
13I87.5Confident83.6Confident84 Ų84119.7 Ų119.743%0.43156%0.556SS.*Hα-helixtrans-63-39.5174.4-73.6166000111.9L9 L16 R17L9-I13 WeakPolarHBondContact O-CB 3.2Å; L9-I13 WeakPolarHBondContact O-CD1 3.41Å; L9-I13 WeakPolarHBondContact O-CG1 3.42Å; L9-I13 PolarHBondContact O-N 3.39Å; I13-L16 PolarHBondContact O-N 3.01Å; I13-R17 WeakPolarHBondContact O-CG 3.46Å; I13-R17 PolarHBondContact O-N 3.33Å
14N87.4Confident84.7Confident87 Ų87115.5 Ų115.547%0.46554%0.543SS..Hα-helixtrans-68.1-44.1177.3-72.4-22.9000111.5S10 E11 E12 L16 R17 E18S10-N14 VanDerWaalsContact O-CG 3.26Å; S10-N14 PolarHBondContact O-N 2.92Å; S10-N14 PolarHBondContact O-ND2 3.05Å; E11-N14 PolarHBondContact O-N 3.28Å; E12-N14 PolarHBondContact O-N 2.98Å; N14-L16 VanDerWaalsContact C-N 3.28Å; N14-L16 PolarHBondContact O-N 3.04Å; N14-R17 WeakPolarHBondContact O-CB 3.34Å; N14-R17 PolarHBondContact O-N 3.43Å; N14-R17 VanDerWaalsContact O-N 3.09Å; N14-E18 PolarHBondContact O-N 3.09Å
15N89.1Confident85.7Confident82 Ų82112.1 Ų112.144%0.43954%0.536SS..Hα-helixtrans-59.4-36.4174-76.9-47.8000112.7E11 E12 K19E11-N15 WeakPolarHBondContact O-CB 3.47Å; E11-N15 PolarHBondContact O-N 2.95Å; E11-N15 PolarHBondContact O-ND2 3.3Å; E12-N15 PolarHBondContact O-N 3.41Å; N15-K19 WeakPolarHBondContact O-CG 3.38Å; N15-K19 PolarHBondContact O-N 3.43Å
16L86.6Confident86.4Confident100 Ų100110.1 Ų110.152%0.52453%0.532SS..Hα-helixtrans-68.6-39.1173.8-74.2168.9000112.2E12 I13 N14 K19 V20E12-L16 WeakPolarHBondContact O-CG 3.35Å; E12-L16 PolarHBondContact O-N 3.48Å; I13-L16 PolarHBondContact O-N 3.01Å; N14-L16 VanDerWaalsContact C-N 3.28Å; N14-L16 PolarHBondContact O-N 3.04Å; L16-K19 PolarHBondContact O-N 2.65Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.17Å
17R89.7Confident86.6Confident161 Ų161106.2 Ų106.261%0.60852%0.524SS*.Hα-helixtrans-64-42.4176-74.4168.9173-175.4-3.6112.4I13 N14 K19 V20 M21I13-R17 WeakPolarHBondContact O-CG 3.46Å; I13-R17 PolarHBondContact O-N 3.33Å; N14-R17 WeakPolarHBondContact O-CB 3.34Å; N14-R17 PolarHBondContact O-N 3.43Å; N14-R17 VanDerWaalsContact O-N 3.09Å; R17-K19 VanDerWaalsContact C-N 3.35Å; R17-K19 PolarHBondContact O-N 3.21Å; R17-V20 PolarHBondContact O-N 3.45Å; R17-M21 VanDerWaalsContact O-CG 3.27Å; R17-M21 WeakPolarHBondContact O-CG 3.27Å; R17-M21 PolarHBondContact O-N 2.62Å
18E91.3Very high86.8Confident134 Ų134106 Ų10663%0.62652%0.523SS*.Hα-helixtrans-62.6-40.5175.5-71.4-172.717200112.2N14 M21 K22N14-E18 PolarHBondContact O-N 3.09Å; E18-M21 PolarHBondContact O-N 3.03Å; E18-K22 WeakPolarHBondContact O-CB 3.49Å; E18-K22 PolarHBondContact O-N 2.97Å
19K88Confident87.3Confident144 Ų144106 Ų10663%0.62653%0.526SS*.Hα-helixtrans-62.1-44174-75.2177.5179.6176.90112.5N15 L16 R17 K22 Q23N15-K19 WeakPolarHBondContact O-CG 3.38Å; N15-K19 PolarHBondContact O-N 3.43Å; L16-K19 PolarHBondContact O-N 2.65Å; R17-K19 VanDerWaalsContact C-N 3.35Å; R17-K19 PolarHBondContact O-N 3.21Å; K19-K22 PolarHBondContact O-N 3.36Å; K19-Q23 WeakPolarHBondContact O-CB 3.35Å; K19-Q23 PolarHBondContact O-N 3.4Å
20V88.4Confident87.4Confident100 Ų100106.6 Ų106.661%0.60653%0.53SS*.Hα-helixtrans-65.2-40.9177.8171.40000111.5L16 R17 Q23 S24L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.17Å; R17-V20 PolarHBondContact O-N 3.45Å; V20-Q23 PolarHBondContact O-N 2.94Å; V20-S24 WeakPolarHBondContact O-CB 3.46Å; V20-S24 PolarHBondContact O-N 3.06Å
21M88.4Confident87.5Confident125 Ų125110.4 Ų110.462%0.61654%0.542SS*.Hα-helixtrans-58.2-52173.7-73.9-84-69.400111.1R17 E18 Q23 S24 E25R17-M21 VanDerWaalsContact O-CG 3.27Å; R17-M21 WeakPolarHBondContact O-CG 3.27Å; R17-M21 PolarHBondContact O-N 2.62Å; E18-M21 PolarHBondContact O-N 3.03Å; M21-Q23 VanDerWaalsContact C-N 3.34Å; M21-Q23 PolarHBondContact O-N 3.3Å; M21-S24 VanDerWaalsContact O-CB 3.3Å; M21-S24 WeakPolarHBondContact O-CB 3.46Å; M21-S24 PolarHBondContact O-N 2.98Å; M21-S24 VanDerWaalsContact O-N 3.12Å; M21-E25 PolarHBondContact O-N 3.38Å
22K89.2Confident87.5Confident125 Ų125107.6 Ų107.654%0.54354%0.537SS..Hα-helixtrans-61.3-41.3179.6-168.2-174178.9-154.50112.5E18 K19 S24 E25 E26E18-K22 WeakPolarHBondContact O-CB 3.49Å; E18-K22 PolarHBondContact O-N 2.97Å; K19-K22 PolarHBondContact O-N 3.36Å; K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 3.45Å; K22-E25 PolarHBondContact O-N 3.24Å; K22-E26 WeakPolarHBondContact CE-OE1 3.26Å; K22-E26 IonicContact NZ-OE1 3.64Å; K22-E26 PolarHBondContact NZ-OE1 2.93Å; K22-E26 WeakPolarHBondContact O-CG 3.19Å; K22-E26 PolarHBondContact O-N 3.49Å
23Q84.7Confident87.5Confident120 Ų120107.7 Ų107.756%0.56154%0.537SS*.Hα-helixtrans-68.6-28.7177.7-165.6168.49.600112.4K19 V20 M21 N27K19-Q23 WeakPolarHBondContact O-CB 3.35Å; K19-Q23 PolarHBondContact O-N 3.4Å; V20-Q23 PolarHBondContact O-N 2.94Å; M21-Q23 VanDerWaalsContact C-N 3.34Å; M21-Q23 PolarHBondContact O-N 3.3Å; Q23-N27 WeakPolarHBondContact O-CB 3.41Å; Q23-N27 VanDerWaalsContact O-CG 3.27Å; Q23-N27 PolarHBondContact O-N 2.9Å; Q23-N27 PolarHBondContact O-ND2 3.3Å
24S89.1Confident87.4Confident59 Ų59108 Ų10841%0.41354%0.543SS..Hα-helixtrans-67.6-42.1170.2-168.40000112V20 M21 K22 N27 N28V20-S24 WeakPolarHBondContact O-CB 3.46Å; V20-S24 PolarHBondContact O-N 3.06Å; M21-S24 VanDerWaalsContact O-CB 3.3Å; M21-S24 WeakPolarHBondContact O-CB 3.46Å; M21-S24 PolarHBondContact O-N 2.98Å; M21-S24 VanDerWaalsContact O-N 3.12Å; K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 3.45Å; S24-N27 PolarHBondContact O-N 3.35Å; S24-N28 WeakPolarHBondContact O-CB 3.36Å; S24-N28 PolarHBondContact O-N 2.86Å; S24-N28 PolarHBondContact O-ND2 2.94Å
25E89.7Confident87.4Confident126 Ų126109.5 Ų109.559%0.58955%0.547SS*.Hα-helixtrans-62.9-43.3174.4-68.7175.5171.500112.1M21 K22 N28 N29M21-E25 PolarHBondContact O-N 3.38Å; K22-E25 PolarHBondContact O-N 3.24Å; E25-N28 PolarHBondContact O-N 3.35Å; E25-N29 WeakPolarHBondContact O-CB 3.42Å; E25-N29 PolarHBondContact O-N 3.26Å
26E86.6Confident87.3Confident98 Ų98111.4 Ų111.446%0.45855%0.551SS.*Hα-helixtrans-61.9-42.7175.1-72.3172-172.500111.6K22 N29 L30K22-E26 WeakPolarHBondContact CE-OE1 3.26Å; K22-E26 IonicContact NZ-OE1 3.64Å; K22-E26 PolarHBondContact NZ-OE1 2.93Å; K22-E26 WeakPolarHBondContact O-CG 3.19Å; K22-E26 PolarHBondContact O-N 3.49Å; E26-N29 PolarHBondContact O-N 3.41Å; E26-L30 WeakPolarHBondContact O-CG 3.39Å; E26-L30 PolarHBondContact O-N 3.46Å
27N80.3Confident87Confident88 Ų88110.9 Ų110.947%0.47155%0.549SS..Hα-helixtrans-64.1-41.6175.1-77.6-23.2000113.1Q23 S24 N29 L30 Q31Q23-N27 WeakPolarHBondContact O-CB 3.41Å; Q23-N27 VanDerWaalsContact O-CG 3.27Å; Q23-N27 PolarHBondContact O-N 2.9Å; Q23-N27 PolarHBondContact O-ND2 3.3Å; S24-N27 PolarHBondContact O-N 3.35Å; N27-N29 VanDerWaalsContact C-N 3.33Å; N27-N29 PolarHBondContact O-N 2.95Å; N27-L30 PolarHBondContact O-N 2.99Å; N27-Q31 WeakPolarHBondContact O-CG 3.47Å; N27-Q31 PolarHBondContact O-N 3.04Å
28N86.4Confident86.8Confident91 Ų91107 Ų10749%0.48754%0.543SS..Hα-helixtrans-65.1-38177.2-69.4-23.7000111.6S24 E25 Q31 S32S24-N28 WeakPolarHBondContact O-CB 3.36Å; S24-N28 PolarHBondContact O-N 2.86Å; S24-N28 PolarHBondContact O-ND2 2.94Å; E25-N28 PolarHBondContact O-N 3.35Å; N28-Q31 PolarHBondContact O-N 3.4Å; N28-S32 PolarHBondContact O-N 3.02Å
29N89.3Confident86.4Confident112 Ų112105.5 Ų105.560%0.59954%0.536SS*.Hα-helixtrans-65.2-43.3175.3-167.922000111.5E25 E26 N27 Q31 S32 Q33E25-N29 WeakPolarHBondContact O-CB 3.42Å; E25-N29 PolarHBondContact O-N 3.26Å; E26-N29 PolarHBondContact O-N 3.41Å; N27-N29 VanDerWaalsContact C-N 3.33Å; N27-N29 PolarHBondContact O-N 2.95Å; N29-Q31 PolarHBondContact O-N 3.36Å; N29-S32 PolarHBondContact O-N 3.13Å; N29-Q33 PolarHBondContact O-N 3.45Å
30L85.6Confident86.2Confident99 Ų99102.7 Ų102.752%0.51853%0.525SS..Hα-helixtrans-62-41.1174.3-72.7170000112.3E26 N27 Q33 V34E26-L30 WeakPolarHBondContact O-CG 3.39Å; E26-L30 PolarHBondContact O-N 3.46Å; N27-L30 PolarHBondContact O-N 2.99Å; L30-Q33 PolarHBondContact O-N 2.87Å; L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 3.35Å
31Q85.9Confident85.2Confident136 Ų136102.4 Ų102.464%0.63652%0.52SS*.Hα-helixtrans-61.6-43.4174.5-76-176.5-6.900112.2N27 N28 N29 Q33 V34 Q35N27-Q31 WeakPolarHBondContact O-CG 3.47Å; N27-Q31 PolarHBondContact O-N 3.04Å; N28-Q31 PolarHBondContact O-N 3.4Å; N29-Q31 PolarHBondContact O-N 3.36Å; Q31-Q33 VanDerWaalsContact C-N 3.3Å; Q31-Q33 PolarHBondContact O-N 3.31Å; Q31-V34 PolarHBondContact O-N 3.19Å; Q31-Q35 PolarHBondContact O-N 3.22Å
32S87.9Confident84.7Confident74 Ų7499.8 Ų99.852%0.51751%0.511SS..Hα-helixtrans-61.8-38.6175.2-175.10000112.1N28 N29 Q35 K36N28-S32 PolarHBondContact O-N 3.02Å; N29-S32 PolarHBondContact O-N 3.13Å; S32-Q35 PolarHBondContact O-N 3.42Å; S32-K36 PolarHBondContact O-N 2.85Å
33Q85.8Confident84.1Confident116 Ų11697 Ų9754%0.54251%0.505SS..Hα-helixtrans-68.2-39.6177.2-165169.825.800112.6N29 L30 Q31 K36 L37N29-Q33 PolarHBondContact O-N 3.45Å; L30-Q33 PolarHBondContact O-N 2.87Å; Q31-Q33 VanDerWaalsContact C-N 3.3Å; Q31-Q33 PolarHBondContact O-N 3.31Å; Q33-K36 PolarHBondContact O-N 3.25Å; Q33-L37 WeakPolarHBondContact O-CG 3.45Å; Q33-L37 PolarHBondContact O-N 3.12Å
34V86.5Confident83.5Confident91 Ų9196.3 Ų96.355%0.55250%0.504SS*.Hα-helixtrans-64.1-44.2173.3170.10000111L30 Q31 K36 L37 T38L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 3.35Å; Q31-V34 PolarHBondContact O-N 3.19Å; V34-K36 PolarHBondContact O-N 2.98Å; V34-L37 PolarHBondContact O-N 2.94Å; V34-T38 PolarHBondContact O-N 3.19Å; V34-T38 PolarHBondContact O-OG1 3.32Å
35Q86.7Confident82.2Confident119 Ų119102.6 Ų102.656%0.55652%0.519SS*.Hα-helixtrans-60-46.1177.1-175.1172.5-10.400111.3Q31 S32 L37 T38 E39Q31-Q35 PolarHBondContact O-N 3.22Å; S32-Q35 PolarHBondContact O-N 3.42Å; Q35-L37 PolarHBondContact O-N 3.4Å; Q35-T38 WeakPolarHBondContact O-CA 3.39Å; Q35-T38 WeakPolarHBondContact O-CB 3.49Å; Q35-T38 PolarHBondContact O-N 3.47Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.41Å; Q35-E39 PolarHBondContact NE2-OE1 3.33Å; Q35-E39 VanDerWaalsContact NE2-OE1 3.13Å; Q35-E39 PolarHBondContact O-N 3.46Å
36K88Confident81.1Confident121 Ų121103.7 Ų103.753%0.52652%0.524SS..Hα-helixtrans-60.8-42.9177.3-166.1-171179.1-132.90112.9S32 Q33 V34 T38 E39 E40S32-K36 PolarHBondContact O-N 2.85Å; Q33-K36 PolarHBondContact O-N 3.25Å; V34-K36 PolarHBondContact O-N 2.98Å; K36-T38 PolarHBondContact O-N 2.96Å; K36-E39 PolarHBondContact O-N 3.43Å; K36-E40 WeakPolarHBondContact CE-OE1 3.5Å; K36-E40 IonicContact NZ-OE1 3.45Å; K36-E40 PolarHBondContact NZ-OE1 3.44Å; K36-E40 PolarHBondContact O-N 3.43Å
37L79.9Confident80Confident90 Ų90105.8 Ų105.847%0.47153%0.534SS..Hα-helixtrans-66-27.7175.1-74.2168.5000112.7Q33 V34 Q35 N41Q33-L37 WeakPolarHBondContact O-CG 3.45Å; Q33-L37 PolarHBondContact O-N 3.12Å; V34-L37 PolarHBondContact O-N 2.94Å; Q35-L37 PolarHBondContact O-N 3.4Å; L37-N41 WeakPolarHBondContact O-CB 3.46Å; L37-N41 PolarHBondContact O-N 2.97Å; L37-N41 VanDerWaalsContact O-N 3.16Å; L37-N41 PolarHBondContact O-ND2 3.23Å
38T85.1Confident78.9Confident80 Ų80107.3 Ų107.349%0.49155%0.546SS..Hα-helixtrans-71.7-44.1174.3-51.50000110.5V34 Q35 K36 N41 T42V34-T38 PolarHBondContact O-N 3.19Å; V34-T38 PolarHBondContact O-OG1 3.32Å; Q35-T38 WeakPolarHBondContact O-CA 3.39Å; Q35-T38 WeakPolarHBondContact O-CB 3.49Å; Q35-T38 PolarHBondContact O-N 3.47Å; K36-T38 PolarHBondContact O-N 2.96Å; T38-N41 PolarHBondContact O-N 3.41Å; T38-T42 PolarHBondContact O-N 3.03Å; T38-T42 PolarHBondContact O-OG1 3.25Å
39E84Confident76.8Confident102 Ų102111 Ų11148%0.47756%0.56SS.*Hα-helixtrans-62.3-46.3175.6-71.4167.9-168.500111.7Q35 K36 N41 T42 T43Q35-E39 WeakPolarHBondContact CG-OE1 3.41Å; Q35-E39 PolarHBondContact NE2-OE1 3.33Å; Q35-E39 VanDerWaalsContact NE2-OE1 3.13Å; Q35-E39 PolarHBondContact O-N 3.46Å; K36-E39 PolarHBondContact O-N 3.43Å; E39-N41 VanDerWaalsContact C-N 3.3Å; E39-N41 PolarHBondContact O-N 3.49Å; E39-T42 WeakPolarHBondContact CA-OG1 3.35Å; E39-T42 PolarHBondContact O-N 3.18Å; E39-T42 VanDerWaalsContact O-N 3.12Å; E39-T42 PolarHBondContact O-OG1 3.39Å; E39-T43 PolarHBondContact O-N 3.26Å; E39-T43 PolarHBondContact O-OG1 3.33Å; E39-T43 VanDerWaalsContact O-OG1 3.14Å
40E82.1Confident74.5Confident84 Ų84111.5 Ų111.539%0.39357%0.57SS.*Hα-helixtrans-58.9-38.4174.2-75.6173.1-174.500111.9K36 L44K36-E40 WeakPolarHBondContact CE-OE1 3.5Å; K36-E40 IonicContact NZ-OE1 3.45Å; K36-E40 PolarHBondContact NZ-OE1 3.44Å; K36-E40 PolarHBondContact O-N 3.43Å; E40-L44 WeakPolarHBondContact O-CB 3.37Å; E40-L44 VanDerWaalsContact O-CG 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.41Å
41N68.7Low72.1Confident94 Ų94112.9 Ų112.950%0.50358%0.582SS.*Hα-helixtrans-68.2-34.9174.5-90.2-80.6000113.5L37 T38 E39 R45L37-N41 WeakPolarHBondContact O-CB 3.46Å; L37-N41 PolarHBondContact O-N 2.97Å; L37-N41 VanDerWaalsContact O-N 3.16Å; L37-N41 PolarHBondContact O-ND2 3.23Å; T38-N41 PolarHBondContact O-N 3.41Å; E39-N41 VanDerWaalsContact C-N 3.3Å; E39-N41 PolarHBondContact O-N 3.49Å; N41-R45 WeakPolarHBondContact O-CG 3.48Å; N41-R45 PolarHBondContact O-N 3.46Å
42T77.1Confident70Confident70 Ų70112.4 Ų112.443%0.42959%0.591SS.*Hα-helixtrans-68.9-44.3174.641.80000111.7T38 E39 L44 R45 E46T38-T42 PolarHBondContact O-N 3.03Å; T38-T42 PolarHBondContact O-OG1 3.25Å; E39-T42 WeakPolarHBondContact CA-OG1 3.35Å; E39-T42 PolarHBondContact O-N 3.18Å; E39-T42 VanDerWaalsContact O-N 3.12Å; E39-T42 PolarHBondContact O-OG1 3.39Å; T42-L44 VanDerWaalsContact C-N 3.3Å; T42-L44 PolarHBondContact O-N 3.17Å; T42-R45 WeakPolarHBondContact O-CB 3.44Å; T42-R45 PolarHBondContact O-N 3.45Å; T42-E46 PolarHBondContact O-N 3.29Å; T42-E46 VanDerWaalsContact O-N 3.08Å
43T77.6Confident67.4Low67 Ų67117.7 Ų117.741%0.41161%0.607SS.*Hα-helixtrans-64.8-33.9178.1-49.60000112.4E39 R45 Q47E39-T43 PolarHBondContact O-N 3.26Å; E39-T43 PolarHBondContact O-OG1 3.33Å; E39-T43 VanDerWaalsContact O-OG1 3.14Å; T43-R45 VanDerWaalsContact C-N 3.31Å; T43-R45 PolarHBondContact O-N 3.45Å; T43-Q47 WeakPolarHBondContact O-CG 3.3Å; T43-Q47 PolarHBondContact O-N 2.95Å
44L71.3Confident65Low105 Ų105119.5 Ų119.555%0.5562%0.621SS.*Hα-helixtrans-68.4-27.1173.4-75.9168.7000113.4E40 T42 V48E40-L44 WeakPolarHBondContact O-CB 3.37Å; E40-L44 VanDerWaalsContact O-CG 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.41Å; T42-L44 VanDerWaalsContact C-N 3.3Å; T42-L44 PolarHBondContact O-N 3.17Å; L44-V48 WeakPolarHBondContact O-CG2 3.38Å
45R61.9Low62.4Low192 Ų192124.6 Ų124.673%0.72564%0.639SS**Hα-helixtrans-77-41.5174.6-73.9173.6174.2-142-4.2112N41 T42 T43 Q47 V48N41-R45 WeakPolarHBondContact O-CG 3.48Å; N41-R45 PolarHBondContact O-N 3.46Å; T42-R45 WeakPolarHBondContact O-CB 3.44Å; T42-R45 PolarHBondContact O-N 3.45Å; T43-R45 VanDerWaalsContact C-N 3.31Å; T43-R45 PolarHBondContact O-N 3.45Å; R45-Q47 PolarHBondContact O-N 3.33Å; R45-V48 PolarHBondContact O-N 2.78Å; R45-V48 VanDerWaalsContact O-N 3.09Å
46E67.6Low59.8Low148 Ų148126.6 Ų126.669%0.69265%0.653SS**Hα-helixtrans-64.8-23.1176.7-68.6174.2164.200112.8T42 V48T42-E46 PolarHBondContact O-N 3.29Å; T42-E46 VanDerWaalsContact O-N 3.08Å; E46-V48 VanDerWaalsContact C-N 3.27Å; E46-V48 PolarHBondContact O-N 2.79Å
47Q63.3Low57Low143 Ų143128.5 Ų128.567%0.66867%0.669SS**THydrogen-bonded Turntrans-78-2.6173.8-74.2176.429.800114.6T43 R45T43-Q47 WeakPolarHBondContact O-CG 3.3Å; T43-Q47 PolarHBondContact O-N 2.95Å; R45-Q47 PolarHBondContact O-N 3.33Å
48V57.4Low54.6Low120 Ų120131.8 Ų131.873%0.72769%0.687SS**SBendtrans-111.3-10.4-172.8175.90000113.2L44 R45 E46L44-V48 WeakPolarHBondContact O-CG2 3.38Å; R45-V48 PolarHBondContact O-N 2.78Å; R45-V48 VanDerWaalsContact O-N 3.09Å; E46-V48 VanDerWaalsContact C-N 3.27Å; E46-V48 PolarHBondContact O-N 2.79Å
49E42.1Very low51.9Low168 Ų168135.6 Ų135.679%0.78570%0.703SS**SBendtrans-84.7131.4171.6-74.4-167146.600112.2
50P40.7Very low49.3Very low123 Ų123138.9 Ų138.980%0.79972%0.718SS**PPolyproline II helixtrans-80.4141.717332.5-33000111.7
51T35.4Very low46.8Very low127 Ų127141.6 Ų141.678%0.77974%0.735SS**PPolyproline II helixtrans-70.5145.3176.844.30000112.7
52P40.9Very low44.7Very low126 Ų126148 Ų14882%0.81875%0.752SS**PPolyproline II helixtrans-78.7137.9170.833-32.6000110.9
53E33Very low42.3Very low185 Ų185148.2 Ų148.286%0.86477%0.769SS**  trans-110.8149163-72.5-172156.100109.6
54D36.6Very low40Very low155 Ų155150.2 Ų150.283%0.82979%0.792SS**  trans-72.7155.6-172.1-50-85.6000113.4
55E30.8Very low37.8Very low198 Ų198150 Ų15093%0.92581%0.805SS**  -178.4104.5129.7-100.5171.2-167.200110.5
56D32Very low36Very low161 Ų161145.6 Ų145.686%0.86181%0.81SS**  trans-80.5127.7155.8-91.4-46.6000108
57D30.2Very low34.1Very low161 Ų161143.1 Ų143.186%0.86182%0.815SS**  trans-175.3165.1135.9-102.5-28.2000112.9
58D28.6Very low32.6Very low158 Ų158141.5 Ų141.585%0.84583%0.826SS**  trans69.278.3173.8-76.2-4.4000119.6
59I29.4Very low31.1Very low161 Ų161140.3 Ų140.383%0.82683%0.828SS**  trans-60.3154.3145.7-81170.3000111.5
60E29.4Very low30.4Very low171 Ų171138 Ų13880%0.79983%0.828SS**  trans78.494.4172.2-81.8-167.6160.500118.9
61L28.3Very low29.9Very low141 Ų141137.6 Ų137.674%0.73883%0.826SS**  -168.1128.1104.5-123.868.6000114.5
62R26.2Very low29.7Very low227 Ų227136.8 Ų136.886%0.85782%0.822SS**  trans52.497.5147.5-67.6169.1-177.4-152.3-0.7120
63G26.5Very low29.3Very low76 Ų76136.9 Ų136.978%0.78482%0.823SS**  66.4102.6104.400000120.1
64A28.8Very low29.5Very low109 Ų109135.6 Ų135.690%0.90182%0.82SS**  trans48.899.5141.400000119.9
65A24Very low29.6Very low99 Ų99137 Ų13782%0.81882%0.822SS**  -173.3132.6126.600000113.6
66A25.8Very low29.9Very low100 Ų100136.7 Ų136.783%0.82682%0.821SS**  trans56.6134.8138.600000123.8
67A26.8Very low30.1Very low97 Ų97138.3 Ų138.380%0.80282%0.823SS**  trans81.694.6140.200000121
68A31.6Very low30Very low109 Ų109136 Ų13690%0.90182%0.818SS**  trans28.7122132.800000121.2
69A26.7Very low30.6Very low94 Ų94133.6 Ų133.678%0.77781%0.811SS**  trans-122151.4151.200000109.3
70P27.8Very low31.7Very low119 Ų119131.9 Ų131.977%0.77380%0.8SS**PPolyproline II helixtrans-78.1152.1-17432.2-35.6000112.8
71P30Very low33.1Very low116 Ų116131.1 Ų131.175%0.75380%0.801SS**PPolyproline II helixtrans-70.6154.6173.930.5-34.6000112.1
72P31Very low35.2Very low110 Ų110129.6 Ų129.671%0.71479%0.793SS**PPolyproline II helixtrans-68.5161.5179.629.6-35.6000112.5I74P72-I74 PolarHBondContact O-N 2.76Å
73P32.3Very low38Very low127 Ų127119.2 Ų119.283%0.82576%0.755SS**PPolyproline II helixtrans-68130.8-178.626.9-31.7000111.1
74I36.3Very low40.8Very low158 Ų158121.3 Ų121.381%0.8175%0.745SS**PPolyproline II helixtrans-73.3128.4170.8-61.7168000107.5P72 E76P72-I74 PolarHBondContact O-N 2.76Å; I74-E76 PolarHBondContact O-N 3.02Å
75E38.7Very low43.7Very low184 Ų184122.7 Ų122.786%0.8673%0.73SS**PPolyproline II helixtrans-66.1124170.3-64.6-172152.200109.3E77E75-E77 PolarHBondContact O-N 3.42Å; E75-E77 VanDerWaalsContact O-N 3.09Å
76E38.8Very low46.9Very low193 Ų193118.1 Ų118.190%0.90269%0.692SS**  trans-69.7103.2179.5-70-178.8128.500110.3I74 C78I74-E76 PolarHBondContact O-N 3.02Å; E76-C78 PolarHBondContact O-N 3.15Å
77E34.8Very low49.9Very low194 Ų194116.5 Ų116.591%0.90767%0.669SS**PPolyproline II helixtrans-60.8129.7161-75-168.6142.200109.5E75E75-E77 PolarHBondContact O-N 3.42Å; E75-E77 VanDerWaalsContact O-N 3.09Å
78C27.8Very low52.6Low113 Ų113112 Ų11276%0.76463%0.632SS**PPolyproline II helixtrans-57.7137-168.2-165.30000112.5E76 E80E76-C78 PolarHBondContact O-N 3.15Å; C78-E80 PolarHBondContact O-N 3.39Å
79P41.7Very low55.1Low108 Ų108109.5 Ų109.570%0.70160%0.604SS**PPolyproline II helixtrans-63.1122.5176.7-1931.1000111.6D81P79-D81 PolarHBondContact O-N 2.9Å
80E53.2Low57.7Low124 Ų124107 Ų10758%0.57958%0.58SS**PPolyproline II helixtrans-64.4117.4167.1-67-171.1137.300109.7C78 L82C78-E80 PolarHBondContact O-N 3.39Å; E80-L82 PolarHBondContact O-N 3.24Å
81D59.3Low60.2Low155 Ų155106.2 Ų106.283%0.82957%0.569SS**  trans-57.9110.6-177.2-75-49000112P79P79-D81 PolarHBondContact O-N 2.9Å
82L72Confident62.9Low109 Ų109104 Ų10457%0.57155%0.55SS*.PPolyproline II helixtrans-63.1148170.9-74.6164.7000110.5E80 F103 M124E80-L82 PolarHBondContact O-N 3.24Å; L82-F103 HydrophobicContact CD2-CE1 4.5Å; L82-F103 HydrophobicContact CD2-CE2 3.78Å; L82-F103 HydrophobicContact CD2-CZ 3.74Å; L82-M124 HydrophobicContact CB-CE 4.17Å
83P83.9Confident65.5Low10 Ų1099.2 Ų99.27%0.06552%0.518CS..PPolyproline II helixtrans-51.9149.9174.5-28.735.9000113.5Q99 F103 F120 M124P83-Q99 HydrophobicContact CB-CB 3.93Å; P83-Q99 HydrophobicContact CG-CB 4.35Å; P83-F103 HydrophobicContact CG-CB 3.88Å; P83-F103 HydrophobicContact CG-CG 4.21Å; P83-F120 HydrophobicContact CG-CE1 4.38Å; P83-F120 HydrophobicContact CG-CZ 3.88Å; P83-M124 HydrophobicContact CB-CE 4.14Å; P83-M124 WeakPolarHBondContact O-CE 3.39Å
84E85.6Confident68Low120 Ų12096.2 Ų96.256%0.56150%0.504SS*.PPolyproline II helixtrans-67.7143174.6-165.5174.8-169.700110.3F86 M92 F96E84-F86 PolarHBondContact O-N 3.18Å; E84-M92 WeakPolarHBondContact OE2-CE 3.22Å; E84-F96 VanDerWaalsContact O-CD2 3.24Å; E84-F96 WeakPolarHBondContact O-CD2 3.33Å
85K89.9Confident70.3Confident137 Ų13791.3 Ų91.360%0.59648%0.482SS*.PPolyproline II helixtrans-75130.1-174.9-69.4-170.9179.9-174.40112M124 T126K85-M124 CarbonylContact C-O 3.54Å; K85-M124 VanDerWaalsContact CA-O 3.22Å; K85-M124 WeakPolarHBondContact CA-O 3.48Å; K85-M124 HydrophobicContact CG-CE 4.36Å; K85-T126 HydrophobicContact CB-CG2 3.96Å; K85-T126 HydrophobicContact CD-CG2 3.79Å; K85-T126 HydrophobicContact CG-CG2 4.41Å
86F91.9Very high72.9Confident3 Ų382.8 Ų82.81%0.01344%0.442CS..BIsolated β-bridgetrans-90.5120.9-178-177.4-109.5000112.3E84 N89 M92 L93 F96 M124 M125 T126 A129 M154 F158E84-F86 PolarHBondContact O-N 3.18Å; F86-N89 VanDerWaalsContact CE2-O 3.26Å; F86-N89 WeakPolarHBondContact CE2-O 3.38Å; F86-M92 HydrophobicContact CD2-CB 4.37Å; F86-M92 HydrophobicContact CE2-CB 4.47Å; F86-L93 HydrophobicContact CE1-CD1 4.36Å; F86-L93 HydrophobicContact CE2-CB 4.03Å; F86-L93 HydrophobicContact CE2-CD1 4.24Å; F86-L93 HydrophobicContact CZ-CB 4.22Å; F86-L93 HydrophobicContact CZ-CD1 3.85Å; F86-F96 HydrophobicContact CB-CB 4.36Å; F86-F96 HydrophobicContact CB-CD1 3.81Å; F86-F96 HydrophobicContact CB-CD2 3.59Å; F86-F96 HydrophobicContact CB-CE1 3.91Å; F86-F96 HydrophobicContact CB-CE2 3.66Å; F86-F96 HydrophobicContact CB-CG 3.64Å; F86-F96 HydrophobicContact CB-CZ 3.82Å; F86-F96 HydrophobicContact CD1-CD1 4.45Å; F86-F96 HydrophobicContact CD2-CB 4.12Å; F86-F96 HydrophobicContact CD2-CD1 4.31Å; F86-F96 HydrophobicContact CD2-CG 4.18Å; F86-F96 HydrophobicContact CG-CB 4.49Å; F86-F96 AromaticContact CG-CD1 3.96Å; F86-F96 HydrophobicContact CG-CD1 3.96Å; F86-F96 HydrophobicContact CG-CD2 4.48Å; F86-F96 HydrophobicContact CG-CE1 4.29Å; F86-F96 HydrophobicContact CG-CG 4.05Å; F86-M124 PolarHBondContact N-O 2.82Å; F86-M125 HydrophobicContact CD1-CE 4.17Å; F86-M125 HydrophobicContact CD1-CG 4.45Å; F86-M125 HydrophobicContact CE1-CE 4.45Å; F86-M125 CarbonylContact O-C 3.56Å; F86-M125 WeakPolarHBondContact O-CA 3.4Å; F86-T126 PolarHBondContact O-N 3.34Å; F86-T126 PolarHBondContact O-OG1 2.88Å; F86-A129 HydrophobicContact CD1-CB 3.43Å; F86-A129 VanDerWaalsContact CD1-CB 3.43Å; F86-A129 HydrophobicContact CE1-CB 3.73Å; F86-A129 HydrophobicContact CG-CB 4.46Å; F86-A129 WeakPolarHBondContact O-CB 3.22Å; F86-M154 HydrophobicContact CD1-CE 3.39Å; F86-M154 HydrophobicContact CE1-CE 3.41Å; F86-M154 VanDerWaalsContact CE1-CE 3.41Å; F86-M154 HydrophobicContact CG-CE 4.11Å; F86-M154 HydrophobicContact CZ-CE 4.14Å; F86-F158 HydrophobicContact CE1-CB 4.41Å; F86-F158 HydrophobicContact CE1-CD1 4.22Å; F86-F158 AromaticContact CE1-CD2 3.9Å; F86-F158 HydrophobicContact CE1-CD2 3.9Å; F86-F158 HydrophobicContact CE1-CE2 4.24Å; F86-F158 AromaticContact CE1-CG 3.91Å; F86-F158 HydrophobicContact CE1-CG 3.91Å; F86-F158 HydrophobicContact CZ-CB 3.99Å; F86-F158 HydrophobicContact CZ-CD1 4.23Å; F86-F158 HydrophobicContact CZ-CD2 4.33Å; F86-F158 AromaticContact CZ-CG 3.92Å; F86-F158 HydrophobicContact CZ-CG 3.92Å
87D88.6Confident75.2Confident67 Ų6775.7 Ų75.736%0.35841%0.41SS..  trans-93-14.7-17879.7-41.8000114.2N89 T126 R128 A129D87-N89 VanDerWaalsContact OD1-CB 3.22Å; D87-N89 WeakPolarHBondContact OD1-CB 3.38Å; D87-N89 PolarHBondContact OD1-N 3.13Å; D87-T126 WeakPolarHBondContact CA-OG1 3.25Å; D87-R128 WeakPolarHBondContact O-CB 3.06Å; D87-R128 PolarHBondContact O-N 3.25Å; D87-A129 PolarHBondContact O-N 3.29Å
88G83.7Confident77.6Confident2 Ų268.7 Ų68.72%0.02139%0.385CS..SBendtrans109.813.7-170.300000115P90 R128G88-P90 WeakPolarHBondContact O-CD 3.28Å; G88-R128 PolarHBondContact O-NH2 2.9Å; G88-R128 VanDerWaalsContact O-NH2 3.15Å
89N83.6Confident80.4Confident56 Ų5666.6 Ų66.630%0.29936%0.364SS..  trans-75.5117.8172.5-178.26.8000112.3F86 D87 D91 M92 L93F86-N89 VanDerWaalsContact CE2-O 3.26Å; F86-N89 WeakPolarHBondContact CE2-O 3.38Å; D87-N89 VanDerWaalsContact OD1-CB 3.22Å; D87-N89 WeakPolarHBondContact OD1-CB 3.38Å; D87-N89 PolarHBondContact OD1-N 3.13Å; N89-D91 PolarHBondContact O-N 3.32Å; N89-D91 VanDerWaalsContact O-N 3.12Å; N89-D91 PolarHBondContact OD1-N 3.23Å; N89-M92 HydrophobicContact CB-CG 4.4Å; N89-M92 PolarHBondContact O-N 3.06Å; N89-M92 VanDerWaalsContact O-N 3.08Å; N89-L93 PolarHBondContact O-N 3.48Å
90P81.8Confident82.6Confident42 Ų4261.5 Ų61.527%0.27333%0.33SS..G310 helixtrans-53.3-32.5179.2-29.137.1000115.3G88 M92 L93 F158 D160G88-P90 WeakPolarHBondContact O-CD 3.28Å; P90-M92 VanDerWaalsContact C-N 3.31Å; P90-M92 PolarHBondContact O-N 3Å; P90-L93 WeakPolarHBondContact O-CB 3.31Å; P90-L93 PolarHBondContact O-N 3.43Å; P90-F158 WeakPolarHBondContact CA-O 3.39Å; P90-F158 WeakPolarHBondContact CB-O 3.4Å; P90-F158 WeakPolarHBondContact CG-O 3.39Å; P90-D160 HydrophobicContact CB-CB 4.29Å
91D80.5Confident84.1Confident102 Ų10260.3 Ų60.355%0.54533%0.325SS..G310 helixtrans-69.8-29.9-178.4-68-31.4000112.7N89 R163N89-D91 PolarHBondContact O-N 3.32Å; N89-D91 VanDerWaalsContact O-N 3.12Å; N89-D91 PolarHBondContact OD1-N 3.23Å; D91-R163 IonicContact OD1-NH1 3.5Å; D91-R163 PolarHBondContact OD1-NH1 3.26Å
92M85.3Confident85.2Confident71 Ų7156.8 Ų56.835%0.3531%0.305SS..G310 helixtrans-89.7-5.1-179.9-62.6-57.9-69.700113.5E84 F86 N89 P90 P95 F96E84-M92 WeakPolarHBondContact OE2-CE 3.22Å; F86-M92 HydrophobicContact CD2-CB 4.37Å; F86-M92 HydrophobicContact CE2-CB 4.47Å; N89-M92 HydrophobicContact CB-CG 4.4Å; N89-M92 PolarHBondContact O-N 3.06Å; N89-M92 VanDerWaalsContact O-N 3.08Å; P90-M92 VanDerWaalsContact C-N 3.31Å; P90-M92 PolarHBondContact O-N 3Å; M92-P95 WeakPolarHBondContact O-CD 3.5Å; M92-F96 WeakPolarHBondContact O-CB 3.29Å; M92-F96 PolarHBondContact O-N 3.36Å
93L85.6Confident85.7Confident8 Ų852.6 Ų52.64%0.04228%0.283CS..Hα-helixtrans-61.4-51.6-174.7177.264.7000112.9F86 N89 P90 F96 M97 M154 F158 E159F86-L93 HydrophobicContact CE1-CD1 4.36Å; F86-L93 HydrophobicContact CE2-CB 4.03Å; F86-L93 HydrophobicContact CE2-CD1 4.24Å; F86-L93 HydrophobicContact CZ-CB 4.22Å; F86-L93 HydrophobicContact CZ-CD1 3.85Å; N89-L93 PolarHBondContact O-N 3.48Å; P90-L93 WeakPolarHBondContact O-CB 3.31Å; P90-L93 PolarHBondContact O-N 3.43Å; L93-F96 PolarHBondContact O-N 2.99Å; L93-M97 HydrophobicContact CD1-CG 4.23Å; L93-M97 HydrophobicContact CD1-SD 3.93Å; L93-M97 HydrophobicContact CG-SD 4.01Å; L93-M97 VanDerWaalsContact O-CG 3.29Å; L93-M97 WeakPolarHBondContact O-CG 3.24Å; L93-M97 PolarHBondContact O-N 3.14Å; L93-M154 HydrophobicContact CD1-CE 3.66Å; L93-M154 HydrophobicContact CD1-CG 4.16Å; L93-F158 HydrophobicContact CD1-CB 4.11Å; L93-F158 HydrophobicContact CD2-CB 3.88Å; L93-F158 HydrophobicContact CG-CB 4.49Å; L93-E159 HydrophobicContact CD2-CB 4.02Å
94A84.9Confident85.7Confident65 Ų6553.3 Ų53.354%0.53729%0.285SS..Hα-helixtrans-67.6-44.9-178.700000112.8F96 M97 A98A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 3.26Å; A94-M97 PolarHBondContact O-N 2.94Å; A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 3.36Å; A94-A98 VanDerWaalsContact O-N 3.09Å
95P85.9Confident85.3Confident54 Ų5453.9 Ų53.935%0.35129%0.288SS..Hα-helixtrans-54.5-45.8169.6-27.934.9000113.3M92 A98 Q99M92-P95 WeakPolarHBondContact O-CD 3.5Å; P95-A98 PolarHBondContact O-N 2.96Å; P95-Q99 VanDerWaalsContact O-CG 3.31Å; P95-Q99 WeakPolarHBondContact O-CG 3.33Å; P95-Q99 PolarHBondContact O-N 2.95Å
96F91.5Very high84.3Confident5 Ų554.8 Ų54.82%0.02229%0.292CS..Hα-helixtrans-61.7-49.4179171.9-105.2000112.7E84 F86 M92 L93 A94 A98 Q99 C100 V121 M124 M125 M154E84-F96 VanDerWaalsContact O-CD2 3.24Å; E84-F96 WeakPolarHBondContact O-CD2 3.33Å; F86-F96 HydrophobicContact CB-CB 4.36Å; F86-F96 HydrophobicContact CB-CD1 3.81Å; F86-F96 HydrophobicContact CB-CD2 3.59Å; F86-F96 HydrophobicContact CB-CE1 3.91Å; F86-F96 HydrophobicContact CB-CE2 3.66Å; F86-F96 HydrophobicContact CB-CG 3.64Å; F86-F96 HydrophobicContact CB-CZ 3.82Å; F86-F96 HydrophobicContact CD1-CD1 4.45Å; F86-F96 HydrophobicContact CD2-CB 4.12Å; F86-F96 HydrophobicContact CD2-CD1 4.31Å; F86-F96 HydrophobicContact CD2-CG 4.18Å; F86-F96 HydrophobicContact CG-CB 4.49Å; F86-F96 AromaticContact CG-CD1 3.96Å; F86-F96 HydrophobicContact CG-CD1 3.96Å; F86-F96 HydrophobicContact CG-CD2 4.48Å; F86-F96 HydrophobicContact CG-CE1 4.29Å; F86-F96 HydrophobicContact CG-CG 4.05Å; M92-F96 WeakPolarHBondContact O-CB 3.29Å; M92-F96 PolarHBondContact O-N 3.36Å; L93-F96 PolarHBondContact O-N 2.99Å; A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 3.26Å; F96-A98 VanDerWaalsContact C-N 3.28Å; F96-A98 PolarHBondContact O-N 3.16Å; F96-Q99 PolarHBondContact O-N 3.36Å; F96-C100 VanDerWaalsContact CE2-SG 3.54Å; F96-C100 VanDerWaalsContact CZ-SG 3.56Å; F96-C100 PolarHBondContact O-N 3.09Å; F96-V121 HydrophobicContact CE1-CG1 3.84Å; F96-V121 HydrophobicContact CZ-CG1 4.01Å; F96-M124 HydrophobicContact CE2-CB 3.72Å; F96-M124 HydrophobicContact CZ-CB 3.97Å; F96-M125 HydrophobicContact CZ-CG 4.4Å; F96-M154 HydrophobicContact CD1-CE 3.58Å; F96-M154 HydrophobicContact CE1-CE 3.43Å; F96-M154 VanDerWaalsContact CE1-CE 3.43Å; F96-M154 HydrophobicContact CE1-SD 4.2Å
97M88.1Confident83.2Confident45 Ų4555.4 Ų55.422%0.22230%0.296CS..Hα-helixtrans-58.2-42.3178.2-70.4175.168.700111.4L93 A94 Q101 M151L93-M97 HydrophobicContact CD1-CG 4.23Å; L93-M97 HydrophobicContact CD1-SD 3.93Å; L93-M97 HydrophobicContact CG-SD 4.01Å; L93-M97 VanDerWaalsContact O-CG 3.29Å; L93-M97 WeakPolarHBondContact O-CG 3.24Å; L93-M97 PolarHBondContact O-N 3.14Å; A94-M97 PolarHBondContact O-N 2.94Å; M97-Q101 PolarHBondContact O-N 3.19Å; M97-M151 HydrophobicContact CB-CE 4.22Å; M97-M151 HydrophobicContact CE-CB 4.42Å; M97-M151 HydrophobicContact CE-CE 3.96Å; M97-M151 HydrophobicContact CG-CE 3.75Å
98A85.9Confident81.3Confident46 Ų4659 Ų5938%0.3832%0.321SS..Hα-helixtrans-66.3-44.2176.800000112.5A94 P95 F96 C100 Q101 I102A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 3.36Å; A94-A98 VanDerWaalsContact O-N 3.09Å; P95-A98 PolarHBondContact O-N 2.96Å; F96-A98 VanDerWaalsContact C-N 3.28Å; F96-A98 PolarHBondContact O-N 3.16Å; A98-C100 PolarHBondContact O-N 3.29Å; A98-Q101 PolarHBondContact O-N 3.08Å; A98-I102 WeakPolarHBondContact O-CB 3.24Å; A98-I102 WeakPolarHBondContact O-CD1 3.5Å; A98-I102 VanDerWaalsContact O-CG1 3.25Å; A98-I102 WeakPolarHBondContact O-CG1 3.43Å; A98-I102 PolarHBondContact O-N 3.01Å
99Q86.1Confident80Confident70 Ų7066.6 Ų66.633%0.32735%0.349SS..Hα-helixtrans-61.1-44.4176-73.7173.57.700111.8P83 P95 F96 Q101 I102 F103P83-Q99 HydrophobicContact CB-CB 3.93Å; P83-Q99 HydrophobicContact CG-CB 4.35Å; P95-Q99 VanDerWaalsContact O-CG 3.31Å; P95-Q99 WeakPolarHBondContact O-CG 3.33Å; P95-Q99 PolarHBondContact O-N 2.95Å; F96-Q99 PolarHBondContact O-N 3.36Å; Q99-Q101 PolarHBondContact O-N 3.29Å; Q99-I102 PolarHBondContact O-N 3.39Å; Q99-F103 WeakPolarHBondContact O-CB 3.3Å; Q99-F103 PolarHBondContact O-N 3.1Å
100C86.3Confident78.6Confident0 Ų068.7 Ų68.70%036%0.36CS..Hα-helixtrans-60.8-43.4175.4-76.40000112.2F96 A98 M104 F120 V121F96-C100 VanDerWaalsContact CE2-SG 3.54Å; F96-C100 VanDerWaalsContact CZ-SG 3.56Å; F96-C100 PolarHBondContact O-N 3.09Å; A98-C100 PolarHBondContact O-N 3.29Å; C100-M104 HydrophobicContact CB-CE 4.35Å; C100-M104 WeakPolarHBondContact O-CE 3.47Å; C100-M104 VanDerWaalsContact O-CG 3.32Å; C100-M104 WeakPolarHBondContact O-CG 3.36Å; C100-M104 PolarHBondContact O-N 2.93Å; C100-F120 HydrophobicContact CB-CE1 4.25Å; C100-V121 HydrophobicContact CB-CG2 4.13Å
101Q85.7Confident78.1Confident100 Ų10067.7 Ų67.747%0.46735%0.352SS..Hα-helixtrans-63.7-50.1176.6179.9173-13.700111.7M97 A98 Q99 F103 M104 E105M97-Q101 PolarHBondContact O-N 3.19Å; A98-Q101 PolarHBondContact O-N 3.08Å; Q99-Q101 PolarHBondContact O-N 3.29Å; Q101-F103 VanDerWaalsContact C-N 3.28Å; Q101-F103 PolarHBondContact O-N 3.49Å; Q101-M104 PolarHBondContact O-N 2.86Å; Q101-M104 VanDerWaalsContact O-N 3.08Å; Q101-E105 HydrophobicContact CG-CG 4.39Å; Q101-E105 VanDerWaalsContact CG-OE1 3.24Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.22Å; Q101-E105 PolarHBondContact NE2-OE1 3.16Å; Q101-E105 WeakPolarHBondContact O-CG 3.45Å; Q101-E105 PolarHBondContact O-N 3.11Å
102I82.8Confident76.8Confident81 Ų8166.3 Ų66.342%0.41535%0.35SS..Hα-helixtrans-59.7-39.1179.1-69164.9000111.3A98 Q99 E105 K106A98-I102 WeakPolarHBondContact O-CB 3.24Å; A98-I102 WeakPolarHBondContact O-CD1 3.5Å; A98-I102 VanDerWaalsContact O-CG1 3.25Å; A98-I102 WeakPolarHBondContact O-CG1 3.43Å; A98-I102 PolarHBondContact O-N 3.01Å; Q99-I102 PolarHBondContact O-N 3.39Å; I102-E105 PolarHBondContact O-N 2.92Å; I102-K106 HydrophobicContact CG2-CD 3.85Å; I102-K106 HydrophobicContact CG2-CG 4.43Å; I102-K106 WeakPolarHBondContact O-CB 3.38Å; I102-K106 WeakPolarHBondContact O-CG 3.25Å; I102-K106 PolarHBondContact O-N 3.32Å
103F83Confident76Confident21 Ų2166.7 Ų66.79%0.09236%0.356CS..Hα-helixtrans-64.1-44.7174.6-176.5-86.8000111.7L82 P83 Q99 Q101 E105 K106 S107 F111 F120L82-F103 HydrophobicContact CD2-CE1 4.5Å; L82-F103 HydrophobicContact CD2-CE2 3.78Å; L82-F103 HydrophobicContact CD2-CZ 3.74Å; P83-F103 HydrophobicContact CG-CB 3.88Å; P83-F103 HydrophobicContact CG-CG 4.21Å; Q99-F103 WeakPolarHBondContact O-CB 3.3Å; Q99-F103 PolarHBondContact O-N 3.1Å; Q101-F103 VanDerWaalsContact C-N 3.28Å; Q101-F103 PolarHBondContact O-N 3.49Å; F103-E105 VanDerWaalsContact C-N 3.29Å; F103-E105 PolarHBondContact O-N 3.36Å; F103-K106 PolarHBondContact O-N 3.03Å; F103-S107 WeakPolarHBondContact O-CB 3.49Å; F103-S107 PolarHBondContact O-N 3.36Å; F103-F111 HydrophobicContact CD1-CE2 4.36Å; F103-F111 HydrophobicContact CD1-CZ 4.3Å; F103-F111 HydrophobicContact CE1-CE2 4.25Å; F103-F111 HydrophobicContact CE1-CZ 4.12Å; F103-F120 HydrophobicContact CB-CZ 4.3Å; F103-F120 AromaticContact CD1-CE1 3.77Å; F103-F120 HydrophobicContact CD1-CE1 3.77Å; F103-F120 AromaticContact CD1-CE2 3.83Å; F103-F120 HydrophobicContact CD1-CE2 3.83Å; F103-F120 AromaticContact CD1-CZ 3.22Å; F103-F120 HydrophobicContact CD1-CZ 3.22Å; F103-F120 HydrophobicContact CE1-CE1 4.48Å; F103-F120 AromaticContact CE1-CE2 3.76Å; F103-F120 HydrophobicContact CE1-CE2 3.76Å; F103-F120 AromaticContact CE1-CZ 3.66Å; F103-F120 HydrophobicContact CE1-CZ 3.66Å; F103-F120 HydrophobicContact CG-CE1 4.42Å; F103-F120 AromaticContact CG-CZ 3.84Å; F103-F120 HydrophobicContact CG-CZ 3.84Å
104M82.9Confident75.1Confident24 Ų2468 Ų6812%0.11836%0.363CS..Hα-helixtrans-67-28.4177.8-70.9-174-74.400113.4C100 Q101 F111 R117 F120 V121 Y147C100-M104 HydrophobicContact CB-CE 4.35Å; C100-M104 WeakPolarHBondContact O-CE 3.47Å; C100-M104 VanDerWaalsContact O-CG 3.32Å; C100-M104 WeakPolarHBondContact O-CG 3.36Å; C100-M104 PolarHBondContact O-N 2.93Å; Q101-M104 PolarHBondContact O-N 2.86Å; Q101-M104 VanDerWaalsContact O-N 3.08Å; M104-F111 HydrophobicContact CB-CB 4.33Å; M104-F111 HydrophobicContact CB-CD1 4.38Å; M104-F111 HydrophobicContact CB-CD2 3.87Å; M104-F111 HydrophobicContact CB-CE2 4.23Å; M104-F111 HydrophobicContact CB-CG 3.95Å; M104-F111 HydrophobicContact CG-CB 4.44Å; M104-F111 HydrophobicContact CG-CD1 3.64Å; M104-F111 HydrophobicContact CG-CD2 3.82Å; M104-F111 HydrophobicContact CG-CE1 3.69Å; M104-F111 HydrophobicContact CG-CE2 3.86Å; M104-F111 HydrophobicContact CG-CG 3.71Å; M104-F111 HydrophobicContact CG-CZ 3.79Å; M104-F111 HydrophobicContact SD-CD1 3.72Å; M104-F111 HydrophobicContact SD-CE1 4.01Å; M104-F111 HydrophobicContact SD-CG 4.17Å; M104-R117 HydrophobicContact SD-CB 3.86Å; M104-R117 HydrophobicContact SD-CG 3.86Å; M104-F120 HydrophobicContact CG-CD1 3.91Å; M104-F120 HydrophobicContact CG-CE1 4.01Å; M104-F120 HydrophobicContact SD-CD1 3.94Å; M104-V121 HydrophobicContact CE-CG2 4.44Å; M104-Y147 HydrophobicContact CE-CE2 4.08Å; M104-Y147 WeakPolarHBondContact CE-OH 3.35Å
105E78.1Confident74.5Confident133 Ų13370.4 Ų70.462%0.62136%0.358SS*.Hα-helixtrans-79.3-30.3175.6-73.1171.7-176.500113.3Q101 I102 F103Q101-E105 HydrophobicContact CG-CG 4.39Å; Q101-E105 VanDerWaalsContact CG-OE1 3.24Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.22Å; Q101-E105 PolarHBondContact NE2-OE1 3.16Å; Q101-E105 WeakPolarHBondContact O-CG 3.45Å; Q101-E105 PolarHBondContact O-N 3.11Å; I102-E105 PolarHBondContact O-N 2.92Å; F103-E105 VanDerWaalsContact C-N 3.29Å; F103-E105 PolarHBondContact O-N 3.36Å
106K68.3Low73.5Confident156 Ų15670.8 Ų70.868%0.67836%0.36SS*.Hα-helixtrans-91.9-30.6-178.9-72.5-179.9176.4-178.10114.4I102 F103I102-K106 HydrophobicContact CG2-CD 3.85Å; I102-K106 HydrophobicContact CG2-CG 4.43Å; I102-K106 WeakPolarHBondContact O-CB 3.38Å; I102-K106 WeakPolarHBondContact O-CG 3.25Å; I102-K106 PolarHBondContact O-N 3.32Å; F103-K106 PolarHBondContact O-N 3.03Å
107S67.8Low72.8Confident15 Ų1574 Ų7411%0.10537%0.372CS..  trans-69142.8-172.1-168.80000112.1F103 R109F103-S107 WeakPolarHBondContact O-CB 3.49Å; F103-S107 PolarHBondContact O-N 3.36Å; S107-R109 PolarHBondContact O-N 3.25Å; S107-R109 VanDerWaalsContact O-N 3.15Å; S107-R109 WeakPolarHBondContact OG-CG 3.41Å; S107-R109 PolarHBondContact OG-N 3.01Å
108T49.9Very low72.4Confident142 Ų14271.9 Ų71.987%0.87136%0.361SS*.SBendtrans-69.7-1.7170.255.60000113.7
109R56.3Low71.8Confident163 Ų16371.8 Ų71.862%0.61536%0.357SS*.SBendtrans-81136.3177.6-64.2178-178.8-174.82.6111S107 F111S107-R109 PolarHBondContact O-N 3.25Å; S107-R109 VanDerWaalsContact O-N 3.15Å; S107-R109 WeakPolarHBondContact OG-CG 3.41Å; S107-R109 PolarHBondContact OG-N 3.01Å; R109-F111 HydrophobicContact CB-CD2 4.34Å; R109-F111 HydrophobicContact CB-CE2 3.88Å; R109-F111 HydrophobicContact CB-CZ 4.46Å; R109-F111 WeakPolarHBondContact O-CD2 3.19Å; R109-F111 PolarHBondContact O-N 3.49Å
110D54.4Low71.8Confident100 Ų10069.4 Ų69.454%0.53535%0.346SS..  trans-70.1103.3179.1-179.710.8000112.2S112D110-S112 VanDerWaalsContact CG-OG 3.31Å; D110-S112 WeakPolarHBondContact OD1-CB 3.31Å; D110-S112 PolarHBondContact OD1-N 3.38Å; D110-S112 PolarHBondContact OD1-OG 3.36Å; D110-S112 PolarHBondContact OD2-OG 2.95Å
111F71.6Confident71.8Confident21 Ų2169.4 Ų69.49%0.09235%0.346CS..  trans-99.527172.1-71.6-75.5000112.7F103 M104 R109 V113 V116 R117 F120F103-F111 HydrophobicContact CD1-CE2 4.36Å; F103-F111 HydrophobicContact CD1-CZ 4.3Å; F103-F111 HydrophobicContact CE1-CE2 4.25Å; F103-F111 HydrophobicContact CE1-CZ 4.12Å; M104-F111 HydrophobicContact CB-CB 4.33Å; M104-F111 HydrophobicContact CB-CD1 4.38Å; M104-F111 HydrophobicContact CB-CD2 3.87Å; M104-F111 HydrophobicContact CB-CE2 4.23Å; M104-F111 HydrophobicContact CB-CG 3.95Å; M104-F111 HydrophobicContact CG-CB 4.44Å; M104-F111 HydrophobicContact CG-CD1 3.64Å; M104-F111 HydrophobicContact CG-CD2 3.82Å; M104-F111 HydrophobicContact CG-CE1 3.69Å; M104-F111 HydrophobicContact CG-CE2 3.86Å; M104-F111 HydrophobicContact CG-CG 3.71Å; M104-F111 HydrophobicContact CG-CZ 3.79Å; M104-F111 HydrophobicContact SD-CD1 3.72Å; M104-F111 HydrophobicContact SD-CE1 4.01Å; M104-F111 HydrophobicContact SD-CG 4.17Å; R109-F111 HydrophobicContact CB-CD2 4.34Å; R109-F111 HydrophobicContact CB-CE2 3.88Å; R109-F111 HydrophobicContact CB-CZ 4.46Å; R109-F111 WeakPolarHBondContact O-CD2 3.19Å; R109-F111 PolarHBondContact O-N 3.49Å; F111-V113 VanDerWaalsContact C-N 3.29Å; F111-V113 PolarHBondContact O-N 3.02Å; F111-V116 HydrophobicContact CD1-CG1 3.89Å; F111-V116 HydrophobicContact CE1-CG1 4.07Å; F111-R117 HydrophobicContact CB-CG 4.4Å; F111-R117 HydrophobicContact CD1-CG 4.38Å; F111-R117 PolarHBondContact O-NE 3.3Å; F111-R117 PolarHBondContact O-NH2 2.94Å; F111-F120 HydrophobicContact CE1-CB 3.83Å; F111-F120 HydrophobicContact CE1-CD1 4.12Å; F111-F120 HydrophobicContact CE1-CD2 4.49Å; F111-F120 AromaticContact CE1-CG 3.89Å; F111-F120 HydrophobicContact CE1-CG 3.89Å; F111-F120 HydrophobicContact CZ-CD1 4.34Å; F111-F120 HydrophobicContact CZ-CD2 4.39Å; F111-F120 HydrophobicContact CZ-CG 4.17Å
112S52.1Low71.8Confident73 Ų7366.2 Ų66.251%0.5133%0.333SS..  trans-64.3-30.3176.658.40000113.7D110D110-S112 VanDerWaalsContact CG-OG 3.31Å; D110-S112 WeakPolarHBondContact OD1-CB 3.31Å; D110-S112 PolarHBondContact OD1-N 3.38Å; D110-S112 PolarHBondContact OD1-OG 3.36Å; D110-S112 PolarHBondContact OD2-OG 2.95Å
113V68.3Low71.8Confident78 Ų7865.8 Ų65.847%0.47334%0.338SS..SBendtrans-97.1124.2-174.3-1780000111.6F111 R115 V116 R117F111-V113 VanDerWaalsContact C-N 3.29Å; F111-V113 PolarHBondContact O-N 3.02Å; V113-R115 HydrophobicContact CG1-CB 4.09Å; V113-R115 PolarHBondContact O-N 3Å; V113-R115 VanDerWaalsContact O-N 3.14Å; V113-V116 HydrophobicContact CB-CG2 4.07Å; V113-V116 WeakPolarHBondContact O-CA 3.17Å; V113-V116 WeakPolarHBondContact O-CB 3.26Å; V113-V116 PolarHBondContact O-N 2.98Å; V113-R117 PolarHBondContact O-N 3.08Å
114D66.5Low71.9Confident37 Ų3765.4 Ų65.420%0.19834%0.336CS..Hα-helixtrans-53.5-36.3179.8-89.610.9000114.1V116 R117 V118 N146 Y147 P148D114-V116 VanDerWaalsContact C-N 3.3Å; D114-V116 PolarHBondContact O-N 3.45Å; D114-R117 WeakPolarHBondContact O-CB 3.18Å; D114-R117 PolarHBondContact O-N 3.33Å; D114-R117 VanDerWaalsContact O-N 3.16Å; D114-R117 IonicContact OD1-CZ 2.68Å; D114-R117 IonicContact OD1-NE 2.77Å; D114-R117 IonicContact OD1-NH1 2.89Å; D114-R117 PolarHBondContact OD1-NH1 3.05Å; D114-V118 WeakPolarHBondContact O-CG2 3.38Å; D114-V118 PolarHBondContact O-N 3.45Å; D114-N146 WeakPolarHBondContact OD2-CA 3.26Å; D114-Y147 VanDerWaalsContact CG-CB 3.43Å; D114-Y147 WeakPolarHBondContact OD1-CB 3.3Å; D114-Y147 PolarHBondContact OD2-N 3.38Å; D114-P148 WeakPolarHBondContact OD2-CD 3.31Å
115R72.6Confident72.3Confident114 Ų11464.8 Ų64.843%0.4333%0.333SS..Hα-helixtrans-59.1-39173.7-174.3178.7-176.2-79.50.7112.8V113 V118 C119 M144V113-R115 HydrophobicContact CG1-CB 4.09Å; V113-R115 PolarHBondContact O-N 3Å; V113-R115 VanDerWaalsContact O-N 3.14Å; R115-V118 PolarHBondContact O-N 3.13Å; R115-C119 VanDerWaalsContact O-CB 3.28Å; R115-C119 WeakPolarHBondContact O-CB 3.37Å; R115-C119 PolarHBondContact O-N 2.86Å; R115-C119 PolarHBondContact O-SG 2.86Å; R115-M144 WeakPolarHBondContact CA-O 3.39Å; R115-M144 WeakPolarHBondContact CB-O 3.24Å; R115-M144 HydrophobicContact CG-CG 4.12Å; R115-M144 HydrophobicContact CG-SD 4.26Å
116V64.9Low72.7Confident63 Ų6360.7 Ų60.738%0.38232%0.317SS..Hα-helixtrans-67.6-40.3177.3-179.20000110.1F111 V113 D114 F120F111-V116 HydrophobicContact CD1-CG1 3.89Å; F111-V116 HydrophobicContact CE1-CG1 4.07Å; V113-V116 HydrophobicContact CB-CG2 4.07Å; V113-V116 WeakPolarHBondContact O-CA 3.17Å; V113-V116 WeakPolarHBondContact O-CB 3.26Å; V113-V116 PolarHBondContact O-N 2.98Å; D114-V116 VanDerWaalsContact C-N 3.3Å; D114-V116 PolarHBondContact O-N 3.45Å; V116-F120 VanDerWaalsContact O-CB 3.29Å; V116-F120 WeakPolarHBondContact O-CB 3.35Å; V116-F120 PolarHBondContact O-N 3.31Å
117R77.6Confident73.6Confident73 Ų7355.6 Ų55.628%0.27531%0.309SS..Hα-helixtrans-61.3-47.3175-54.6177.4178.5148.8-2.9111.9M104 F111 V113 D114 F120 V121 Y147M104-R117 HydrophobicContact SD-CB 3.86Å; M104-R117 HydrophobicContact SD-CG 3.86Å; F111-R117 HydrophobicContact CB-CG 4.4Å; F111-R117 HydrophobicContact CD1-CG 4.38Å; F111-R117 PolarHBondContact O-NE 3.3Å; F111-R117 PolarHBondContact O-NH2 2.94Å; V113-R117 PolarHBondContact O-N 3.08Å; D114-R117 WeakPolarHBondContact O-CB 3.18Å; D114-R117 PolarHBondContact O-N 3.33Å; D114-R117 VanDerWaalsContact O-N 3.16Å; D114-R117 IonicContact OD1-CZ 2.68Å; D114-R117 IonicContact OD1-NE 2.77Å; D114-R117 IonicContact OD1-NH1 2.89Å; D114-R117 PolarHBondContact OD1-NH1 3.05Å; R117-F120 PolarHBondContact O-N 3.43Å; R117-V121 WeakPolarHBondContact O-CG2 3.24Å; R117-V121 PolarHBondContact O-N 2.84Å; R117-Y147 HydrophobicContact CB-CD1 4.44Å; R117-Y147 HydrophobicContact CB-CD2 3.39Å; R117-Y147 HydrophobicContact CB-CE2 3.88Å; R117-Y147 HydrophobicContact CB-CG 3.72Å; R117-Y147 HydrophobicContact CG-CD2 4.45Å; R117-Y147 HydrophobicContact CG-CG 4.38Å
118V78.4Confident74.3Confident0 Ų061.4 Ų61.40%033%0.328CS..Hα-helixtrans-67.8-43.3179.21760000111.6D114 R115 F120 V121 T122 L137 M144 Y147 F150D114-V118 WeakPolarHBondContact O-CG2 3.38Å; D114-V118 PolarHBondContact O-N 3.45Å; R115-V118 PolarHBondContact O-N 3.13Å; V118-F120 VanDerWaalsContact C-N 3.29Å; V118-F120 PolarHBondContact O-N 2.72Å; V118-V121 PolarHBondContact O-N 2.82Å; V118-T122 HydrophobicContact CG1-CG2 4.39Å; V118-T122 WeakPolarHBondContact O-CB 3.39Å; V118-T122 WeakPolarHBondContact O-CG2 3.32Å; V118-T122 PolarHBondContact O-N 2.7Å; V118-T122 PolarHBondContact O-OG1 3.28Å; V118-L137 HydrophobicContact CG1-CD1 4.31Å; V118-L137 HydrophobicContact CG1-CD2 4.16Å; V118-M144 HydrophobicContact CG1-SD 4.32Å; V118-Y147 HydrophobicContact CG2-CD2 4.11Å; V118-F150 HydrophobicContact CG1-CD1 4.13Å; V118-F150 HydrophobicContact CG1-CD2 4Å; V118-F150 HydrophobicContact CG1-CE1 4.37Å; V118-F150 HydrophobicContact CG1-CE2 4.24Å; V118-F150 HydrophobicContact CG1-CG 3.94Å; V118-F150 HydrophobicContact CG1-CZ 4.43Å; V118-F150 HydrophobicContact CG2-CB 3.91Å; V118-F150 HydrophobicContact CG2-CD1 4.18Å; V118-F150 HydrophobicContact CG2-CG 4.05Å
119C75.1Confident76Confident44 Ų4454.6 Ų54.630%0.29729%0.287SS..Hα-helixtrans-60.8-38.1173.2-72.20000112.1R115 T122 S123R115-C119 VanDerWaalsContact O-CB 3.28Å; R115-C119 WeakPolarHBondContact O-CB 3.37Å; R115-C119 PolarHBondContact O-N 2.86Å; R115-C119 PolarHBondContact O-SG 2.86Å; C119-T122 WeakPolarHBondContact CA-OG1 3.4Å; C119-T122 PolarHBondContact O-OG1 2.77Å; C119-S123 WeakPolarHBondContact O-CB 3.12Å; C119-S123 PolarHBondContact O-N 3.02Å
120F84.9Confident77.4Confident20 Ų2048.3 Ų48.39%0.08827%0.269CS..Hα-helixtrans-65.2-56.5175.7173-112.6000111.4P83 C100 F103 M104 F111 V116 R117 V118 T122 S123 M124P83-F120 HydrophobicContact CG-CE1 4.38Å; P83-F120 HydrophobicContact CG-CZ 3.88Å; C100-F120 HydrophobicContact CB-CE1 4.25Å; F103-F120 HydrophobicContact CB-CZ 4.3Å; F103-F120 AromaticContact CD1-CE1 3.77Å; F103-F120 HydrophobicContact CD1-CE1 3.77Å; F103-F120 AromaticContact CD1-CE2 3.83Å; F103-F120 HydrophobicContact CD1-CE2 3.83Å; F103-F120 AromaticContact CD1-CZ 3.22Å; F103-F120 HydrophobicContact CD1-CZ 3.22Å; F103-F120 HydrophobicContact CE1-CE1 4.48Å; F103-F120 AromaticContact CE1-CE2 3.76Å; F103-F120 HydrophobicContact CE1-CE2 3.76Å; F103-F120 AromaticContact CE1-CZ 3.66Å; F103-F120 HydrophobicContact CE1-CZ 3.66Å; F103-F120 HydrophobicContact CG-CE1 4.42Å; F103-F120 AromaticContact CG-CZ 3.84Å; F103-F120 HydrophobicContact CG-CZ 3.84Å; M104-F120 HydrophobicContact CG-CD1 3.91Å; M104-F120 HydrophobicContact CG-CE1 4.01Å; M104-F120 HydrophobicContact SD-CD1 3.94Å; F111-F120 HydrophobicContact CE1-CB 3.83Å; F111-F120 HydrophobicContact CE1-CD1 4.12Å; F111-F120 HydrophobicContact CE1-CD2 4.49Å; F111-F120 AromaticContact CE1-CG 3.89Å; F111-F120 HydrophobicContact CE1-CG 3.89Å; F111-F120 HydrophobicContact CZ-CD1 4.34Å; F111-F120 HydrophobicContact CZ-CD2 4.39Å; F111-F120 HydrophobicContact CZ-CG 4.17Å; V116-F120 VanDerWaalsContact O-CB 3.29Å; V116-F120 WeakPolarHBondContact O-CB 3.35Å; V116-F120 PolarHBondContact O-N 3.31Å; R117-F120 PolarHBondContact O-N 3.43Å; V118-F120 VanDerWaalsContact C-N 3.29Å; V118-F120 PolarHBondContact O-N 2.72Å; F120-T122 VanDerWaalsContact C-N 3.29Å; F120-T122 PolarHBondContact O-N 3.47Å; F120-S123 WeakPolarHBondContact O-CB 3.5Å; F120-S123 PolarHBondContact O-N 3.03Å; F120-S123 PolarHBondContact O-OG 2.84Å; F120-M124 HydrophobicContact CD2-CG 4.46Å; F120-M124 HydrophobicContact CE2-CG 4.09Å; F120-M124 HydrophobicContact CE2-SD 4.3Å; F120-M124 HydrophobicContact CZ-CG 4.23Å; F120-M124 WeakPolarHBondContact O-CG 3.28Å; F120-M124 PolarHBondContact O-N 3.16Å
121V86.3Confident78.6Confident0 Ų051.7 Ų51.70%028%0.275CS..Hα-helixtrans-55.6-44.2179.4173.10000111.4F96 C100 M104 R117 V118 S123 M124 M125 Y147 F150 M151 M154F96-V121 HydrophobicContact CE1-CG1 3.84Å; F96-V121 HydrophobicContact CZ-CG1 4.01Å; C100-V121 HydrophobicContact CB-CG2 4.13Å; M104-V121 HydrophobicContact CE-CG2 4.44Å; R117-V121 WeakPolarHBondContact O-CG2 3.24Å; R117-V121 PolarHBondContact O-N 2.84Å; V118-V121 PolarHBondContact O-N 2.82Å; V121-S123 PolarHBondContact O-N 3.48Å; V121-M124 PolarHBondContact O-N 3.32Å; V121-M124 VanDerWaalsContact O-N 3.13Å; V121-M125 WeakPolarHBondContact O-CG 3.42Å; V121-M125 PolarHBondContact O-N 3.37Å; V121-Y147 HydrophobicContact CG2-CE2 4.02Å; V121-F150 HydrophobicContact CB-CE1 4.44Å; V121-F150 HydrophobicContact CG1-CE1 3.97Å; V121-M151 HydrophobicContact CG1-SD 4.12Å; V121-M151 HydrophobicContact CG2-SD 4.2Å; V121-M154 HydrophobicContact CG1-SD 4.16Å
122T85.5Confident79.5Confident33 Ų3352.8 Ų52.820%0.20228%0.278CS..Hα-helixtrans-66.9-32.7177.852.10000113.8V118 C119 F120 M124 M125 A133 L137 F150V118-T122 HydrophobicContact CG1-CG2 4.39Å; V118-T122 WeakPolarHBondContact O-CB 3.39Å; V118-T122 WeakPolarHBondContact O-CG2 3.32Å; V118-T122 PolarHBondContact O-N 2.7Å; V118-T122 PolarHBondContact O-OG1 3.28Å; C119-T122 WeakPolarHBondContact CA-OG1 3.4Å; C119-T122 PolarHBondContact O-OG1 2.77Å; F120-T122 VanDerWaalsContact C-N 3.29Å; F120-T122 PolarHBondContact O-N 3.47Å; T122-M124 PolarHBondContact O-N 2.81Å; T122-M125 HydrophobicContact CG2-SD 4.16Å; T122-M125 WeakPolarHBondContact O-CB 3.37Å; T122-M125 PolarHBondContact O-N 3.13Å; T122-M125 VanDerWaalsContact O-N 3.11Å; T122-A133 HydrophobicContact CG2-CB 3.87Å; T122-L137 HydrophobicContact CG2-CD1 3.86Å; T122-F150 HydrophobicContact CG2-CE1 4.17Å; T122-F150 HydrophobicContact CG2-CE2 4.1Å; T122-F150 HydrophobicContact CG2-CZ 3.49Å; T122-F150 VanDerWaalsContact CG2-CZ 3.49Å
123S83Confident81Confident72 Ų7249.4 Ų49.450%0.50326%0.255SS..Hα-helixtrans-65.5-23.6172.777.80000113.5C119 F120 V121C119-S123 WeakPolarHBondContact O-CB 3.12Å; C119-S123 PolarHBondContact O-N 3.02Å; F120-S123 WeakPolarHBondContact O-CB 3.5Å; F120-S123 PolarHBondContact O-N 3.03Å; F120-S123 PolarHBondContact O-OG 2.84Å; V121-S123 PolarHBondContact O-N 3.48Å
124M86.3Confident81.6Confident13 Ų1348.9 Ų48.96%0.06426%0.255CS..THydrogen-bonded Turntrans-89.7-1.7175.2-54.6-51.7-70.300112.9L82 P83 K85 F86 F96 F120 V121 T122L82-M124 HydrophobicContact CB-CE 4.17Å; P83-M124 HydrophobicContact CB-CE 4.14Å; P83-M124 WeakPolarHBondContact O-CE 3.39Å; K85-M124 CarbonylContact C-O 3.54Å; K85-M124 VanDerWaalsContact CA-O 3.22Å; K85-M124 WeakPolarHBondContact CA-O 3.48Å; K85-M124 HydrophobicContact CG-CE 4.36Å; F86-M124 PolarHBondContact N-O 2.82Å; F96-M124 HydrophobicContact CE2-CB 3.72Å; F96-M124 HydrophobicContact CZ-CB 3.97Å; F120-M124 HydrophobicContact CD2-CG 4.46Å; F120-M124 HydrophobicContact CE2-CG 4.09Å; F120-M124 HydrophobicContact CE2-SD 4.3Å; F120-M124 HydrophobicContact CZ-CG 4.23Å; F120-M124 WeakPolarHBondContact O-CG 3.28Å; F120-M124 PolarHBondContact O-N 3.16Å; V121-M124 PolarHBondContact O-N 3.32Å; V121-M124 VanDerWaalsContact O-N 3.13Å; T122-M124 PolarHBondContact O-N 2.81Å
125M90.4Very high82Confident10 Ų1048.8 Ų48.85%0.04926%0.259CS..BIsolated β-bridgetrans-89.1149.6175.4-65.5169.9104.100112F86 F96 V121 T122 A129 A130 W132 A133 F150 M154 F158F86-M125 HydrophobicContact CD1-CE 4.17Å; F86-M125 HydrophobicContact CD1-CG 4.45Å; F86-M125 HydrophobicContact CE1-CE 4.45Å; F86-M125 CarbonylContact O-C 3.56Å; F86-M125 WeakPolarHBondContact O-CA 3.4Å; F96-M125 HydrophobicContact CZ-CG 4.4Å; V121-M125 WeakPolarHBondContact O-CG 3.42Å; V121-M125 PolarHBondContact O-N 3.37Å; T122-M125 HydrophobicContact CG2-SD 4.16Å; T122-M125 WeakPolarHBondContact O-CB 3.37Å; T122-M125 PolarHBondContact O-N 3.13Å; T122-M125 VanDerWaalsContact O-N 3.11Å; M125-A129 HydrophobicContact CB-CB 3.99Å; M125-A129 HydrophobicContact CE-CB 3.72Å; M125-A129 HydrophobicContact CG-CB 4.17Å; M125-A130 HydrophobicContact CB-CB 4.32Å; M125-W132 HydrophobicContact CE-CE3 3.81Å; M125-W132 HydrophobicContact CE-CZ3 3.79Å; M125-A133 HydrophobicContact CE-CB 4.27Å; M125-A133 HydrophobicContact SD-CB 3.79Å; M125-F150 HydrophobicContact SD-CZ 4.33Å; M125-M154 HydrophobicContact CE-CE 3.65Å; M125-M154 HydrophobicContact CE-CG 4.28Å; M125-M154 HydrophobicContact CE-SD 3.77Å; M125-F158 HydrophobicContact CE-CE2 4.21Å
126T86.4Confident82.3Confident48 Ų4845.6 Ų45.629%0.29425%0.248SC..  trans-139.9176.7178.262.50000111.3K85 F86 D87 R128 A129 A130K85-T126 HydrophobicContact CB-CG2 3.96Å; K85-T126 HydrophobicContact CD-CG2 3.79Å; K85-T126 HydrophobicContact CG-CG2 4.41Å; F86-T126 PolarHBondContact O-N 3.34Å; F86-T126 PolarHBondContact O-OG1 2.88Å; D87-T126 WeakPolarHBondContact CA-OG1 3.25Å; T126-R128 PolarHBondContact O-N 3.09Å; T126-R128 VanDerWaalsContact O-N 3.09Å; T126-A129 WeakPolarHBondContact O-CB 3.48Å; T126-A129 PolarHBondContact O-N 2.81Å; T126-A130 PolarHBondContact O-N 3.31Å
127G87.8Confident83.1Confident48 Ų4843.3 Ų43.350%0.49523%0.234SC..Hα-helixtrans59.2-110.8163.700000115.9R131G127-R131 PolarHBondContact O-NE 3.24Å
128R82Confident83Confident137 Ų13747.2 Ų47.252%0.51726%0.255SS..Hα-helixtrans-84.7-40.2177.1-65.5-178.7-66.9160.52.8111.1D87 G88 T126 R131 W132D87-R128 WeakPolarHBondContact O-CB 3.06Å; D87-R128 PolarHBondContact O-N 3.25Å; G88-R128 PolarHBondContact O-NH2 2.9Å; G88-R128 VanDerWaalsContact O-NH2 3.15Å; T126-R128 PolarHBondContact O-N 3.09Å; T126-R128 VanDerWaalsContact O-N 3.09Å; R128-R131 PolarHBondContact O-N 2.89Å; R128-W132 PolarHBondContact O-N 3.14Å
129A86.1Confident82.4Confident0 Ų057.2 Ų57.20%029%0.293CS..Hα-helixtrans-57-49.3176.900000112.8F86 D87 M125 T126 R131 W132 A133 F158F86-A129 HydrophobicContact CD1-CB 3.43Å; F86-A129 VanDerWaalsContact CD1-CB 3.43Å; F86-A129 HydrophobicContact CE1-CB 3.73Å; F86-A129 HydrophobicContact CG-CB 4.46Å; F86-A129 WeakPolarHBondContact O-CB 3.22Å; D87-A129 PolarHBondContact O-N 3.29Å; M125-A129 HydrophobicContact CB-CB 3.99Å; M125-A129 HydrophobicContact CE-CB 3.72Å; M125-A129 HydrophobicContact CG-CB 4.17Å; T126-A129 WeakPolarHBondContact O-CB 3.48Å; T126-A129 PolarHBondContact O-N 2.81Å; A129-R131 PolarHBondContact O-N 3.01Å; A129-W132 PolarHBondContact O-N 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.31Å; A129-A133 PolarHBondContact O-N 3.26Å; A129-F158 HydrophobicContact CB-CZ 4.23Å
130A84.9Confident82Confident30 Ų3056.4 Ų56.425%0.24829%0.288CS..Hα-helixtrans-60.7-46.2178.900000112.5M125 T126 W132 A133 S134M125-A130 HydrophobicContact CB-CB 4.32Å; T126-A130 PolarHBondContact O-N 3.31Å; A130-W132 VanDerWaalsContact C-N 3.33Å; A130-W132 PolarHBondContact O-N 3.05Å; A130-A133 PolarHBondContact O-N 3.45Å; A130-A133 VanDerWaalsContact O-N 3.16Å; A130-S134 PolarHBondContact O-N 2.94Å; A130-S134 PolarHBondContact O-OG 2.66Å
131R80.4Confident81.4Confident172 Ų17261.3 Ų61.365%0.64931%0.31SS*.Hα-helixtrans-63.7-37.7178.8-73.6-176.1-68.7139.4-10.2112.7G127 R128 A129 A135G127-R131 PolarHBondContact O-NE 3.24Å; R128-R131 PolarHBondContact O-N 2.89Å; A129-R131 PolarHBondContact O-N 3.01Å; R131-A135 WeakPolarHBondContact O-CB 3.41Å; R131-A135 PolarHBondContact O-N 3.35Å
132W90.5Very high80.6Confident43 Ų4367.6 Ų67.616%0.16334%0.335CS..Hα-helixtrans-63.4-47.7171.7167.882.9000111.2M125 R128 A129 A130 S134 A135 K136 F150 E153 M154 V157 F158M125-W132 HydrophobicContact CE-CE3 3.81Å; M125-W132 HydrophobicContact CE-CZ3 3.79Å; R128-W132 PolarHBondContact O-N 3.14Å; A129-W132 PolarHBondContact O-N 3.29Å; A130-W132 VanDerWaalsContact C-N 3.33Å; A130-W132 PolarHBondContact O-N 3.05Å; W132-S134 PolarHBondContact O-N 3.46Å; W132-A135 PolarHBondContact O-N 3.18Å; W132-K136 HydrophobicContact CD2-CB 4.45Å; W132-K136 HydrophobicContact CZ2-CB 4.31Å; W132-K136 HydrophobicContact CZ2-CD 4.46Å; W132-K136 HydrophobicContact CZ2-CG 3.94Å; W132-K136 WeakPolarHBondContact O-CB 3.49Å; W132-K136 PolarHBondContact O-N 3.49Å; W132-F150 HydrophobicContact CH2-CE2 4.25Å; W132-F150 HydrophobicContact CH2-CZ 4.46Å; W132-F150 HydrophobicContact CZ3-CE2 4.08Å; W132-F150 AromaticContact CZ3-CZ 3.99Å; W132-F150 HydrophobicContact CZ3-CZ 3.99Å; W132-E153 HydrophobicContact CH2-CB 4.48Å; W132-E153 HydrophobicContact CZ2-CB 4.3Å; W132-M154 VanDerWaalsContact CH2-CA 3.43Å; W132-M154 HydrophobicContact CH2-CB 3.76Å; W132-M154 HydrophobicContact CH2-CG 4.4Å; W132-M154 HydrophobicContact CZ3-CB 4.08Å; W132-M154 HydrophobicContact CZ3-CG 4.28Å; W132-V157 HydrophobicContact CG-CG1 4.36Å; W132-V157 HydrophobicContact CZ2-CB 4.2Å; W132-V157 HydrophobicContact CZ2-CG2 4.03Å; W132-F158 HydrophobicContact CB-CE2 4.47Å; W132-F158 HydrophobicContact CB-CZ 3.9Å; W132-F158 AromaticContact CD2-CE2 3.67Å; W132-F158 HydrophobicContact CD2-CE2 3.67Å; W132-F158 AromaticContact CD2-CZ 4Å; W132-F158 HydrophobicContact CD2-CZ 4Å; W132-F158 AromaticContact CE3-CE2 3.54Å; W132-F158 HydrophobicContact CE3-CE2 3.54Å; W132-F158 HydrophobicContact CE3-CZ 4.12Å; W132-F158 HydrophobicContact CG-CE2 4.09Å; W132-F158 AromaticContact CG-CZ 3.91Å; W132-F158 HydrophobicContact CG-CZ 3.91Å; W132-F158 HydrophobicContact CZ3-CE2 4.05Å
133A84.1Confident79.9Confident2 Ų266 Ų662%0.01733%0.325CS..Hα-helixtrans-61.6-46.2-17600000111.8T122 M125 A129 A130 K136 L137 F150T122-A133 HydrophobicContact CG2-CB 3.87Å; M125-A133 HydrophobicContact CE-CB 4.27Å; M125-A133 HydrophobicContact SD-CB 3.79Å; A129-A133 WeakPolarHBondContact O-CB 3.31Å; A129-A133 PolarHBondContact O-N 3.26Å; A130-A133 PolarHBondContact O-N 3.45Å; A130-A133 VanDerWaalsContact O-N 3.16Å; A133-K136 PolarHBondContact O-N 2.81Å; A133-L137 WeakPolarHBondContact O-CB 3.41Å; A133-L137 VanDerWaalsContact O-CG 3.28Å; A133-L137 WeakPolarHBondContact O-CG 3.27Å; A133-L137 PolarHBondContact O-N 2.91Å; A133-F150 HydrophobicContact CB-CZ 4.45Å
134S80.6Confident79.4Confident68 Ų6864.2 Ų64.248%0.47631%0.309SS..Hα-helixtrans-56.8-55.1173.9-56.80000111.5A130 W132 K136 L137 E138A130-S134 PolarHBondContact O-N 2.94Å; A130-S134 PolarHBondContact O-OG 2.66Å; W132-S134 PolarHBondContact O-N 3.46Å; S134-K136 VanDerWaalsContact C-N 3.28Å; S134-K136 PolarHBondContact O-N 2.82Å; S134-L137 PolarHBondContact O-N 2.89Å; S134-E138 WeakPolarHBondContact O-CB 3.41Å; S134-E138 VanDerWaalsContact O-CG 3.3Å; S134-E138 WeakPolarHBondContact O-CG 3.23Å; S134-E138 PolarHBondContact O-N 2.73Å
135A74.9Confident78.9Confident35 Ų3568.5 Ų68.529%0.28933%0.329SS..Hα-helixtrans-65.9-27-177.500000113.8R131 W132 R139R131-A135 WeakPolarHBondContact O-CB 3.41Å; R131-A135 PolarHBondContact O-N 3.35Å; W132-A135 PolarHBondContact O-N 3.18Å; A135-R139 VanDerWaalsContact O-CD 3.31Å; A135-R139 WeakPolarHBondContact O-CD 3.37Å; A135-R139 WeakPolarHBondContact O-CG 3.42Å
136K77.6Confident78.1Confident47 Ų4771.1 Ų71.120%0.20434%0.344CS..Hα-helixtrans-78.6-42.2176.4-173.771.8178.1-170.30110.9W132 A133 S134 R139 S140 L143 E153W132-K136 HydrophobicContact CD2-CB 4.45Å; W132-K136 HydrophobicContact CZ2-CB 4.31Å; W132-K136 HydrophobicContact CZ2-CD 4.46Å; W132-K136 HydrophobicContact CZ2-CG 3.94Å; W132-K136 WeakPolarHBondContact O-CB 3.49Å; W132-K136 PolarHBondContact O-N 3.49Å; A133-K136 PolarHBondContact O-N 2.81Å; S134-K136 VanDerWaalsContact C-N 3.28Å; S134-K136 PolarHBondContact O-N 2.82Å; K136-R139 PolarHBondContact O-N 3.18Å; K136-S140 VanDerWaalsContact O-CB 3.32Å; K136-S140 WeakPolarHBondContact O-CB 3.37Å; K136-S140 PolarHBondContact O-N 2.96Å; K136-L143 HydrophobicContact CD-CD1 4.3Å; K136-L143 HydrophobicContact CG-CD1 3.82Å; K136-E153 WeakPolarHBondContact CE-OE2 3.32Å; K136-E153 IonicContact NZ-OE1 3.48Å; K136-E153 PolarHBondContact NZ-OE1 3.49Å; K136-E153 IonicContact NZ-OE2 2.76Å; K136-E153 PolarHBondContact NZ-OE2 2.98Å
137L81.8Confident77.9Confident15 Ų1570.6 Ų70.68%0.07934%0.336CS..Hα-helixtrans-69.7-36.8177.7-70.6166.5000112.4V118 T122 A133 S134 R139 S140 H141 L143 M144 F150V118-L137 HydrophobicContact CG1-CD1 4.31Å; V118-L137 HydrophobicContact CG1-CD2 4.16Å; T122-L137 HydrophobicContact CG2-CD1 3.86Å; A133-L137 WeakPolarHBondContact O-CB 3.41Å; A133-L137 VanDerWaalsContact O-CG 3.28Å; A133-L137 WeakPolarHBondContact O-CG 3.27Å; A133-L137 PolarHBondContact O-N 2.91Å; S134-L137 PolarHBondContact O-N 2.89Å; L137-R139 VanDerWaalsContact C-N 3.31Å; L137-R139 PolarHBondContact O-N 3.37Å; L137-S140 CarbonylContact O-C 3.53Å; L137-S140 PolarHBondContact O-N 3.4Å; L137-H141 WeakPolarHBondContact O-CA 3.47Å; L137-H141 PolarHBondContact O-N 3.48Å; L137-L143 HydrophobicContact CD2-CB 3.88Å; L137-M144 HydrophobicContact CB-CE 4.28Å; L137-M144 HydrophobicContact CD1-CE 3.91Å; L137-M144 HydrophobicContact CD2-CB 4.16Å; L137-M144 HydrophobicContact CD2-CE 4.22Å; L137-M144 HydrophobicContact CG-CE 4.37Å; L137-F150 HydrophobicContact CD1-CE2 4.13Å; L137-F150 HydrophobicContact CD2-CD2 4Å; L137-F150 HydrophobicContact CD2-CE2 4.14Å; L137-F150 HydrophobicContact CG-CD2 4.49Å; L137-F150 HydrophobicContact CG-CE2 4.15Å
138E76Confident77.6Confident154 Ų15472.2 Ų72.272%0.7234%0.338SS*.Hα-helixtrans-59-39.3171.4-76.7167-168.800112.6S134S134-E138 WeakPolarHBondContact O-CB 3.41Å; S134-E138 VanDerWaalsContact O-CG 3.3Å; S134-E138 WeakPolarHBondContact O-CG 3.23Å; S134-E138 PolarHBondContact O-N 2.73Å
139R65.8Low77.3Confident210 Ų21066.4 Ų66.479%0.79232%0.319SS*.Hα-helixtrans-90.2-9.4-177.5-66.6174.6-173.9-1720.6114.2A135 K136 L137A135-R139 VanDerWaalsContact O-CD 3.31Å; A135-R139 WeakPolarHBondContact O-CD 3.37Å; A135-R139 WeakPolarHBondContact O-CG 3.42Å; K136-R139 PolarHBondContact O-N 3.18Å; L137-R139 VanDerWaalsContact C-N 3.31Å; L137-R139 PolarHBondContact O-N 3.37Å
140S67.6Low77.3Confident27 Ų2766.4 Ų66.419%0.18932%0.319CS..  trans-151.564.2-170.8-64.40000109.3K136 L137 Y142 L143K136-S140 VanDerWaalsContact O-CB 3.32Å; K136-S140 WeakPolarHBondContact O-CB 3.37Å; K136-S140 PolarHBondContact O-N 2.96Å; L137-S140 CarbonylContact O-C 3.53Å; L137-S140 PolarHBondContact O-N 3.4Å; S140-Y142 PolarHBondContact O-N 2.94Å; S140-L143 WeakPolarHBondContact O-CB 3.45Å; S140-L143 PolarHBondContact O-N 3.04Å
141H71Confident77.5Confident123 Ų12365.7 Ų65.757%0.56931%0.311SS*.G310 helixtrans-56.5-26.6-172.4-166.5-97.7000113.5L137 L143 M144 H145L137-H141 WeakPolarHBondContact O-CA 3.47Å; L137-H141 PolarHBondContact O-N 3.48Å; H141-L143 PolarHBondContact O-N 3.42Å; H141-M144 WeakPolarHBondContact O-CB 3.36Å; H141-M144 PolarHBondContact O-N 3.34Å; H141-H145 AromaticContact CE1-NE2 3.68Å
142Y69.4Low77.4Confident132 Ų13263.7 Ų63.752%0.51831%0.311SS..G310 helixtrans-58.3-29.3174.276.2-91.5000113.5S140 M144 H145 N146 A149S140-Y142 PolarHBondContact O-N 2.94Å; Y142-M144 PolarHBondContact O-N 3.25Å; Y142-H145 CarbonylContact O-C 3.45Å; Y142-H145 PolarHBondContact O-N 2.98Å; Y142-N146 PolarHBondContact O-N 3.28Å; Y142-A149 HydrophobicContact CE2-CB 4.42Å
143L71.1Confident76.9Confident0 Ų063.7 Ų63.70%031%0.312CS..G310 helixtrans-66.5-23.2176.8-63.7173.9000112.3K136 L137 S140 H141 H145 A149 F150 E153K136-L143 HydrophobicContact CD-CD1 4.3Å; K136-L143 HydrophobicContact CG-CD1 3.82Å; L137-L143 HydrophobicContact CD2-CB 3.88Å; S140-L143 WeakPolarHBondContact O-CB 3.45Å; S140-L143 PolarHBondContact O-N 3.04Å; H141-L143 PolarHBondContact O-N 3.42Å; L143-H145 PolarHBondContact O-N 3.01Å; L143-A149 HydrophobicContact CD2-CB 3.67Å; L143-F150 HydrophobicContact CB-CB 4.41Å; L143-F150 HydrophobicContact CB-CD2 4.31Å; L143-E153 HydrophobicContact CD1-CG 4.28Å; L143-E153 HydrophobicContact CD2-CG 4.26Å
144M73.3Confident77Confident34 Ų3463.6 Ų63.617%0.16731%0.312CS..G310 helixtrans-65-21.9172.5-17363.275.800112.2R115 V118 L137 H141 Y142R115-M144 WeakPolarHBondContact CA-O 3.39Å; R115-M144 WeakPolarHBondContact CB-O 3.24Å; R115-M144 HydrophobicContact CG-CG 4.12Å; R115-M144 HydrophobicContact CG-SD 4.26Å; V118-M144 HydrophobicContact CG1-SD 4.32Å; L137-M144 HydrophobicContact CB-CE 4.28Å; L137-M144 HydrophobicContact CD1-CE 3.91Å; L137-M144 HydrophobicContact CD2-CB 4.16Å; L137-M144 HydrophobicContact CD2-CE 4.22Å; L137-M144 HydrophobicContact CG-CE 4.37Å; H141-M144 WeakPolarHBondContact O-CB 3.36Å; H141-M144 PolarHBondContact O-N 3.34Å; Y142-M144 PolarHBondContact O-N 3.25Å
145H74.5Confident77.2Confident104 Ų10464.8 Ų64.848%0.48131%0.308SS..G310 helixtrans-119.810.9-175.5-61.3-91.2000113.1H141 Y142 L143H141-H145 AromaticContact CE1-NE2 3.68Å; Y142-H145 CarbonylContact O-C 3.45Å; Y142-H145 PolarHBondContact O-N 2.98Å; L143-H145 PolarHBondContact O-N 3.01Å
146N74.4Confident77.4Confident65 Ų6570 Ų7035%0.34833%0.326SS..  trans-140.190.9179.4-173.3-32.7000108.9D114 Y142 P148 A149 F150D114-N146 WeakPolarHBondContact OD2-CA 3.26Å; Y142-N146 PolarHBondContact O-N 3.28Å; N146-P148 WeakPolarHBondContact OD1-CD 3.3Å; N146-A149 HydrophobicContact CB-CB 4.06Å; N146-A149 VanDerWaalsContact CG-CB 3.45Å; N146-A149 PolarHBondContact O-N 2.81Å; N146-A149 VanDerWaalsContact OD1-CB 3.25Å; N146-A149 WeakPolarHBondContact OD1-CB 3.48Å; N146-A149 PolarHBondContact OD1-N 3.43Å; N146-F150 PolarHBondContact O-N 3.28Å
147Y82.1Confident77.6Confident37 Ų3770.8 Ų70.815%0.14534%0.335CS..Hα-helixtrans-62.1-45.7-178170.6-102.7000112M104 D114 R117 V118 V121 A149 F150 M151M104-Y147 HydrophobicContact CE-CE2 4.08Å; M104-Y147 WeakPolarHBondContact CE-OH 3.35Å; D114-Y147 VanDerWaalsContact CG-CB 3.43Å; D114-Y147 WeakPolarHBondContact OD1-CB 3.3Å; D114-Y147 PolarHBondContact OD2-N 3.38Å; R117-Y147 HydrophobicContact CB-CD1 4.44Å; R117-Y147 HydrophobicContact CB-CD2 3.39Å; R117-Y147 HydrophobicContact CB-CE2 3.88Å; R117-Y147 HydrophobicContact CB-CG 3.72Å; R117-Y147 HydrophobicContact CG-CD2 4.45Å; R117-Y147 HydrophobicContact CG-CG 4.38Å; V118-Y147 HydrophobicContact CG2-CD2 4.11Å; V121-Y147 HydrophobicContact CG2-CE2 4.02Å; Y147-A149 VanDerWaalsContact C-N 3.33Å; Y147-A149 PolarHBondContact O-N 3.33Å; Y147-F150 PolarHBondContact O-N 2.88Å; Y147-M151 HydrophobicContact CD1-CG 4.36Å; Y147-M151 HydrophobicContact CD2-CG 3.81Å; Y147-M151 HydrophobicContact CD2-SD 4.21Å; Y147-M151 HydrophobicContact CE1-CG 3.97Å; Y147-M151 HydrophobicContact CE2-CE 4.31Å; Y147-M151 HydrophobicContact CE2-CG 3.37Å; Y147-M151 HydrophobicContact CE2-SD 3.5Å; Y147-M151 VanDerWaalsContact CE2-SD 3.5Å; Y147-M151 HydrophobicContact CG-CG 4.28Å; Y147-M151 VanDerWaalsContact CZ-CG 3.45Å; Y147-M151 VanDerWaalsContact O-CG 3.32Å; Y147-M151 WeakPolarHBondContact O-CG 3.47Å; Y147-M151 PolarHBondContact O-N 3.12Å
148P80.8Confident77.7Confident82 Ų8271.1 Ų71.153%0.53234%0.336SS..Hα-helixtrans-54.9-44.7174.2-27.435.7000113.6D114 N146 M151 M152D114-P148 WeakPolarHBondContact OD2-CD 3.31Å; N146-P148 WeakPolarHBondContact OD1-CD 3.3Å; P148-M151 PolarHBondContact O-N 3.36Å; P148-M152 WeakPolarHBondContact O-CB 3.37Å; P148-M152 PolarHBondContact O-N 3.07Å
149A76.1Confident77.8Confident14 Ų1468.3 Ų68.312%0.11632%0.323CS..Hα-helixtrans-67.9-39.8178.200000112.3Y142 L143 N146 Y147 M152 E153Y142-A149 HydrophobicContact CE2-CB 4.42Å; L143-A149 HydrophobicContact CD2-CB 3.67Å; N146-A149 HydrophobicContact CB-CB 4.06Å; N146-A149 VanDerWaalsContact CG-CB 3.45Å; N146-A149 PolarHBondContact O-N 2.81Å; N146-A149 VanDerWaalsContact OD1-CB 3.25Å; N146-A149 WeakPolarHBondContact OD1-CB 3.48Å; N146-A149 PolarHBondContact OD1-N 3.43Å; Y147-A149 VanDerWaalsContact C-N 3.33Å; Y147-A149 PolarHBondContact O-N 3.33Å; A149-M152 PolarHBondContact O-N 3.41Å; A149-E153 WeakPolarHBondContact O-CB 3.25Å; A149-E153 PolarHBondContact O-N 3.04Å
150F87.1Confident78Confident0 Ų061.3 Ų61.30%030%0.301CS..Hα-helixtrans-61.8-45174.9179.3-96.3000112V118 V121 T122 M125 W132 A133 L137 L143 N146 Y147 M152 E153 M154V118-F150 HydrophobicContact CG1-CD1 4.13Å; V118-F150 HydrophobicContact CG1-CD2 4Å; V118-F150 HydrophobicContact CG1-CE1 4.37Å; V118-F150 HydrophobicContact CG1-CE2 4.24Å; V118-F150 HydrophobicContact CG1-CG 3.94Å; V118-F150 HydrophobicContact CG1-CZ 4.43Å; V118-F150 HydrophobicContact CG2-CB 3.91Å; V118-F150 HydrophobicContact CG2-CD1 4.18Å; V118-F150 HydrophobicContact CG2-CG 4.05Å; V121-F150 HydrophobicContact CB-CE1 4.44Å; V121-F150 HydrophobicContact CG1-CE1 3.97Å; T122-F150 HydrophobicContact CG2-CE1 4.17Å; T122-F150 HydrophobicContact CG2-CE2 4.1Å; T122-F150 HydrophobicContact CG2-CZ 3.49Å; T122-F150 VanDerWaalsContact CG2-CZ 3.49Å; M125-F150 HydrophobicContact SD-CZ 4.33Å; W132-F150 HydrophobicContact CH2-CE2 4.25Å; W132-F150 HydrophobicContact CH2-CZ 4.46Å; W132-F150 HydrophobicContact CZ3-CE2 4.08Å; W132-F150 AromaticContact CZ3-CZ 3.99Å; W132-F150 HydrophobicContact CZ3-CZ 3.99Å; A133-F150 HydrophobicContact CB-CZ 4.45Å; L137-F150 HydrophobicContact CD1-CE2 4.13Å; L137-F150 HydrophobicContact CD2-CD2 4Å; L137-F150 HydrophobicContact CD2-CE2 4.14Å; L137-F150 HydrophobicContact CG-CD2 4.49Å; L137-F150 HydrophobicContact CG-CE2 4.15Å; L143-F150 HydrophobicContact CB-CB 4.41Å; L143-F150 HydrophobicContact CB-CD2 4.31Å; N146-F150 PolarHBondContact O-N 3.28Å; Y147-F150 PolarHBondContact O-N 2.88Å; F150-M152 VanDerWaalsContact C-N 3.34Å; F150-M152 PolarHBondContact O-N 3.46Å; F150-E153 PolarHBondContact O-N 3.15Å; F150-M154 WeakPolarHBondContact O-CB 3.31Å; F150-M154 PolarHBondContact O-N 2.86Å
151M87.8Confident77.8Confident15 Ų1565.3 Ų65.37%0.07433%0.326CS..Hα-helixtrans-67.9-33.5177.5-62.4-54.7-7800112.3M97 V121 Y147 P148 K155M97-M151 HydrophobicContact CB-CE 4.22Å; M97-M151 HydrophobicContact CE-CB 4.42Å; M97-M151 HydrophobicContact CE-CE 3.96Å; M97-M151 HydrophobicContact CG-CE 3.75Å; V121-M151 HydrophobicContact CG1-SD 4.12Å; V121-M151 HydrophobicContact CG2-SD 4.2Å; Y147-M151 HydrophobicContact CD1-CG 4.36Å; Y147-M151 HydrophobicContact CD2-CG 3.81Å; Y147-M151 HydrophobicContact CD2-SD 4.21Å; Y147-M151 HydrophobicContact CE1-CG 3.97Å; Y147-M151 HydrophobicContact CE2-CE 4.31Å; Y147-M151 HydrophobicContact CE2-CG 3.37Å; Y147-M151 HydrophobicContact CE2-SD 3.5Å; Y147-M151 VanDerWaalsContact CE2-SD 3.5Å; Y147-M151 HydrophobicContact CG-CG 4.28Å; Y147-M151 VanDerWaalsContact CZ-CG 3.45Å; Y147-M151 VanDerWaalsContact O-CG 3.32Å; Y147-M151 WeakPolarHBondContact O-CG 3.47Å; Y147-M151 PolarHBondContact O-N 3.12Å; P148-M151 PolarHBondContact O-N 3.36Å; M151-K155 VanDerWaalsContact O-CB 3.29Å; M151-K155 WeakPolarHBondContact O-CB 3.26Å; M151-K155 PolarHBondContact O-N 3.3Å
152M78.1Confident77.7Confident131 Ų13165.4 Ų65.465%0.64533%0.327SS*.Hα-helixtrans-65.8-43.3173.3-177.3176.967.100112.2P148 A149 F150 K155 H156P148-M152 WeakPolarHBondContact O-CB 3.37Å; P148-M152 PolarHBondContact O-N 3.07Å; A149-M152 PolarHBondContact O-N 3.41Å; F150-M152 VanDerWaalsContact C-N 3.34Å; F150-M152 PolarHBondContact O-N 3.46Å; M152-K155 PolarHBondContact O-N 2.94Å; M152-H156 WeakPolarHBondContact O-CB 3.49Å; M152-H156 PolarHBondContact O-N 3.48Å
153E81.8Confident77.9Confident43 Ų4362.9 Ų62.920%0.20132%0.316CS..Hα-helixtrans-66.4-41.9174.8-81.8-78.9-167.600112.2W132 K136 L143 A149 F150 K155 H156 V157W132-E153 HydrophobicContact CH2-CB 4.48Å; W132-E153 HydrophobicContact CZ2-CB 4.3Å; K136-E153 WeakPolarHBondContact CE-OE2 3.32Å; K136-E153 IonicContact NZ-OE1 3.48Å; K136-E153 PolarHBondContact NZ-OE1 3.49Å; K136-E153 IonicContact NZ-OE2 2.76Å; K136-E153 PolarHBondContact NZ-OE2 2.98Å; L143-E153 HydrophobicContact CD1-CG 4.28Å; L143-E153 HydrophobicContact CD2-CG 4.26Å; A149-E153 WeakPolarHBondContact O-CB 3.25Å; A149-E153 PolarHBondContact O-N 3.04Å; F150-E153 PolarHBondContact O-N 3.15Å; E153-K155 VanDerWaalsContact C-N 3.31Å; E153-K155 PolarHBondContact O-N 3.33Å; E153-H156 PolarHBondContact O-N 3.45Å; E153-V157 WeakPolarHBondContact O-CG2 3.41Å; E153-V157 PolarHBondContact O-N 3.32Å
154M85.5Confident78Confident0 Ų067.1 Ų67.10%033%0.333CS..Hα-helixtrans-59.7-44.5173.3-178.3173.7176.800111F86 L93 F96 V121 M125 W132 F150 V157 F158F86-M154 HydrophobicContact CD1-CE 3.39Å; F86-M154 HydrophobicContact CE1-CE 3.41Å; F86-M154 VanDerWaalsContact CE1-CE 3.41Å; F86-M154 HydrophobicContact CG-CE 4.11Å; F86-M154 HydrophobicContact CZ-CE 4.14Å; L93-M154 HydrophobicContact CD1-CE 3.66Å; L93-M154 HydrophobicContact CD1-CG 4.16Å; F96-M154 HydrophobicContact CD1-CE 3.58Å; F96-M154 HydrophobicContact CE1-CE 3.43Å; F96-M154 VanDerWaalsContact CE1-CE 3.43Å; F96-M154 HydrophobicContact CE1-SD 4.2Å; V121-M154 HydrophobicContact CG1-SD 4.16Å; M125-M154 HydrophobicContact CE-CE 3.65Å; M125-M154 HydrophobicContact CE-CG 4.28Å; M125-M154 HydrophobicContact CE-SD 3.77Å; W132-M154 VanDerWaalsContact CH2-CA 3.43Å; W132-M154 HydrophobicContact CH2-CB 3.76Å; W132-M154 HydrophobicContact CH2-CG 4.4Å; W132-M154 HydrophobicContact CZ3-CB 4.08Å; W132-M154 HydrophobicContact CZ3-CG 4.28Å; F150-M154 WeakPolarHBondContact O-CB 3.31Å; F150-M154 PolarHBondContact O-N 2.86Å; M154-V157 PolarHBondContact O-N 3.47Å; M154-F158 HydrophobicContact CG-CD2 3.99Å; M154-F158 HydrophobicContact CG-CE2 4.49Å; M154-F158 WeakPolarHBondContact O-CD2 3.39Å; M154-F158 PolarHBondContact O-N 3.35Å; M154-F158 VanDerWaalsContact O-N 3.08Å
155K84.3Confident78.2Confident93 Ų9369.8 Ų69.840%0.40435%0.345SS..Hα-helixtrans-59.7-53.7173.8-174.1172.7178.7174.80110.6M151 M152 E153 V157 F158 E159M151-K155 VanDerWaalsContact O-CB 3.29Å; M151-K155 WeakPolarHBondContact O-CB 3.26Å; M151-K155 PolarHBondContact O-N 3.3Å; M152-K155 PolarHBondContact O-N 2.94Å; E153-K155 VanDerWaalsContact C-N 3.31Å; E153-K155 PolarHBondContact O-N 3.33Å; K155-V157 PolarHBondContact O-N 2.71Å; K155-V157 VanDerWaalsContact O-N 3.15Å; K155-F158 PolarHBondContact O-N 2.88Å; K155-E159 WeakPolarHBondContact CE-OE1 3.36Å; K155-E159 WeakPolarHBondContact CE-OE2 3.34Å; K155-E159 HydrophobicContact CG-CB 4.15Å; K155-E159 IonicContact NZ-OE1 3.2Å; K155-E159 PolarHBondContact NZ-OE1 3.15Å; K155-E159 WeakPolarHBondContact O-CA 3.5Å; K155-E159 WeakPolarHBondContact O-CB 3.42Å; K155-E159 PolarHBondContact O-N 3.48Å
156H80.3Confident78.5Confident143 Ų14366.9 Ų66.966%0.66233%0.334SS*.Hα-helixtrans-57.7-32.4-178.2-174.163.2000114.3M152 E153M152-H156 WeakPolarHBondContact O-CB 3.49Å; M152-H156 PolarHBondContact O-N 3.48Å; E153-H156 PolarHBondContact O-N 3.45Å
157V81.7Confident79Confident65 Ų6564 Ų6439%0.39432%0.319SS..Hα-helixtrans-87.3-34.3-177.1173.10000113.6W132 E153 M154 K155W132-V157 HydrophobicContact CG-CG1 4.36Å; W132-V157 HydrophobicContact CZ2-CB 4.2Å; W132-V157 HydrophobicContact CZ2-CG2 4.03Å; E153-V157 WeakPolarHBondContact O-CG2 3.41Å; E153-V157 PolarHBondContact O-N 3.32Å; M154-V157 PolarHBondContact O-N 3.47Å; K155-V157 PolarHBondContact O-N 2.71Å; K155-V157 VanDerWaalsContact O-N 3.15Å
158F83.9Confident79.2Confident22 Ų2264.6 Ų64.610%0.09632%0.322CS..Hα-helixtrans-106-16-176.7-64.5-70.8000114.6F86 P90 L93 M125 A129 W132 M154 K155 D160F86-F158 HydrophobicContact CE1-CB 4.41Å; F86-F158 HydrophobicContact CE1-CD1 4.22Å; F86-F158 AromaticContact CE1-CD2 3.9Å; F86-F158 HydrophobicContact CE1-CD2 3.9Å; F86-F158 HydrophobicContact CE1-CE2 4.24Å; F86-F158 AromaticContact CE1-CG 3.91Å; F86-F158 HydrophobicContact CE1-CG 3.91Å; F86-F158 HydrophobicContact CZ-CB 3.99Å; F86-F158 HydrophobicContact CZ-CD1 4.23Å; F86-F158 HydrophobicContact CZ-CD2 4.33Å; F86-F158 AromaticContact CZ-CG 3.92Å; F86-F158 HydrophobicContact CZ-CG 3.92Å; P90-F158 WeakPolarHBondContact CA-O 3.39Å; P90-F158 WeakPolarHBondContact CB-O 3.4Å; P90-F158 WeakPolarHBondContact CG-O 3.39Å; L93-F158 HydrophobicContact CD1-CB 4.11Å; L93-F158 HydrophobicContact CD2-CB 3.88Å; L93-F158 HydrophobicContact CG-CB 4.49Å; M125-F158 HydrophobicContact CE-CE2 4.21Å; A129-F158 HydrophobicContact CB-CZ 4.23Å; W132-F158 HydrophobicContact CB-CE2 4.47Å; W132-F158 HydrophobicContact CB-CZ 3.9Å; W132-F158 AromaticContact CD2-CE2 3.67Å; W132-F158 HydrophobicContact CD2-CE2 3.67Å; W132-F158 AromaticContact CD2-CZ 4Å; W132-F158 HydrophobicContact CD2-CZ 4Å; W132-F158 AromaticContact CE3-CE2 3.54Å; W132-F158 HydrophobicContact CE3-CE2 3.54Å; W132-F158 HydrophobicContact CE3-CZ 4.12Å; W132-F158 HydrophobicContact CG-CE2 4.09Å; W132-F158 AromaticContact CG-CZ 3.91Å; W132-F158 HydrophobicContact CG-CZ 3.91Å; W132-F158 HydrophobicContact CZ3-CE2 4.05Å; M154-F158 HydrophobicContact CG-CD2 3.99Å; M154-F158 HydrophobicContact CG-CE2 4.49Å; M154-F158 WeakPolarHBondContact O-CD2 3.39Å; M154-F158 PolarHBondContact O-N 3.35Å; M154-F158 VanDerWaalsContact O-N 3.08Å; K155-F158 PolarHBondContact O-N 2.88Å; F158-D160 PolarHBondContact O-N 2.79Å
159E77.6Confident79.5Confident95 Ų9566.3 Ų66.344%0.44432%0.318SS..SBendtrans-71.2115.7168.9-174.2172.4-124.600108.1L93 K155 P161L93-E159 HydrophobicContact CD2-CB 4.02Å; K155-E159 WeakPolarHBondContact CE-OE1 3.36Å; K155-E159 WeakPolarHBondContact CE-OE2 3.34Å; K155-E159 HydrophobicContact CG-CB 4.15Å; K155-E159 IonicContact NZ-OE1 3.2Å; K155-E159 PolarHBondContact NZ-OE1 3.15Å; K155-E159 WeakPolarHBondContact O-CA 3.5Å; K155-E159 WeakPolarHBondContact O-CB 3.42Å; K155-E159 PolarHBondContact O-N 3.48Å; E159-P161 WeakPolarHBondContact O-CD 3.41Å; E159-P161 VanDerWaalsContact O-N 3.17Å
160D69.9Low80.3Confident62 Ų6271.4 Ų71.433%0.33234%0.338SS..  trans-66113.2178.1169.522.3000109.9P90 F158 Q162 R163P90-D160 HydrophobicContact CB-CB 4.29Å; F158-D160 PolarHBondContact O-N 2.79Å; D160-Q162 PolarHBondContact O-N 3.24Å; D160-Q162 VanDerWaalsContact O-N 3.1Å; D160-Q162 WeakPolarHBondContact OD1-CA 3.2Å; D160-Q162 VanDerWaalsContact OD1-CB 3.26Å; D160-Q162 WeakPolarHBondContact OD1-CB 3.31Å; D160-Q162 PolarHBondContact OD1-N 3.47Å; D160-R163 HydrophobicContact CB-CB 3.94Å; D160-R163 VanDerWaalsContact O-CB 3.27Å; D160-R163 WeakPolarHBondContact O-CB 3.49Å; D160-R163 PolarHBondContact O-N 3.2Å; D160-R163 PolarHBondContact OD2-N 3.3Å; D160-R163 VanDerWaalsContact OD2-N 3.11Å
161P63.2Low80.6Confident111 Ų11171.4 Ų71.472%0.72134%0.338SS*.Hα-helixtrans-63.8-21179.6-19.834.2000112.1E159E159-P161 WeakPolarHBondContact O-CD 3.41Å; E159-P161 VanDerWaalsContact O-N 3.17Å
162Q68.1Low80.9Confident126 Ų12678.2 Ų78.259%0.58936%0.363SS*.Hα-helixtrans-79.7-22.1173.6-52.4-165.711.800112.8D160 R164 E165 V166D160-Q162 PolarHBondContact O-N 3.24Å; D160-Q162 VanDerWaalsContact O-N 3.1Å; D160-Q162 WeakPolarHBondContact OD1-CA 3.2Å; D160-Q162 VanDerWaalsContact OD1-CB 3.26Å; D160-Q162 WeakPolarHBondContact OD1-CB 3.31Å; D160-Q162 PolarHBondContact OD1-N 3.47Å; Q162-R164 VanDerWaalsContact C-N 3.29Å; Q162-R164 PolarHBondContact O-N 3.25Å; Q162-E165 CarbonylContact O-C 3.49Å; Q162-E165 WeakPolarHBondContact O-CA 3.32Å; Q162-E165 PolarHBondContact O-N 2.87Å; Q162-V166 HydrophobicContact CB-CG2 4.44Å; Q162-V166 WeakPolarHBondContact O-CB 3.41Å; Q162-V166 VanDerWaalsContact O-CG2 3.27Å; Q162-V166 WeakPolarHBondContact O-CG2 3.29Å; Q162-V166 PolarHBondContact O-N 3.18Å
163R73.6Confident81.5Confident78 Ų7881.4 Ų81.429%0.29437%0.367SS..Hα-helixtrans-55.9-44.6-176.6177.8169.1168.8175.8-15.2111.6D91 D160 V166 A167 D194D91-R163 IonicContact OD1-NH1 3.5Å; D91-R163 PolarHBondContact OD1-NH1 3.26Å; D160-R163 HydrophobicContact CB-CB 3.94Å; D160-R163 VanDerWaalsContact O-CB 3.27Å; D160-R163 WeakPolarHBondContact O-CB 3.49Å; D160-R163 PolarHBondContact O-N 3.2Å; D160-R163 PolarHBondContact OD2-N 3.3Å; D160-R163 VanDerWaalsContact OD2-N 3.11Å; R163-V166 CarbonylContact O-C 3.52Å; R163-V166 WeakPolarHBondContact O-CB 3.46Å; R163-V166 PolarHBondContact O-N 3.4Å; R163-A167 WeakPolarHBondContact O-CB 3.28Å; R163-A167 PolarHBondContact O-N 2.91Å; R163-D194 WeakPolarHBondContact CG-OD2 3.49Å; R163-D194 IonicContact CZ-OD1 2.66Å; R163-D194 IonicContact CZ-OD2 2.69Å; R163-D194 VanDerWaalsContact NE-CG 3.29Å; R163-D194 IonicContact NE-OD1 3.14Å; R163-D194 PolarHBondContact NE-OD1 2.58Å; R163-D194 VanDerWaalsContact NE-OD1 3.16Å; R163-D194 IonicContact NE-OD2 2.7Å; R163-D194 PolarHBondContact NE-OD2 3.16Å; R163-D194 IonicContact NH2-OD1 2.68Å; R163-D194 PolarHBondContact NH2-OD1 3.33Å; R163-D194 IonicContact NH2-OD2 2.8Å; R163-D194 PolarHBondContact NH2-OD2 3.19Å
164R73Confident82.1Confident90 Ų9081.1 Ų81.134%0.3437%0.367SS..Hα-helixtrans-63.6-39.7174.3-178.3170.3159.268.85.4113.4Q162 A167 K168 D196Q162-R164 VanDerWaalsContact C-N 3.29Å; Q162-R164 PolarHBondContact O-N 3.25Å; R164-A167 PolarHBondContact O-N 2.9Å; R164-K168 WeakPolarHBondContact O-CG 3.34Å; R164-K168 PolarHBondContact O-N 2.69Å; R164-D196 VanDerWaalsContact CZ-CG 3.49Å; R164-D196 IonicContact CZ-OD1 3.14Å; R164-D196 IonicContact CZ-OD2 3.94Å; R164-D196 IonicContact NH1-OD1 3.69Å; R164-D196 PolarHBondContact NH1-OD1 2.93Å; R164-D196 IonicContact NH1-OD2 3.41Å; R164-D196 PolarHBondContact NH1-OD2 3.32Å; R164-D196 IonicContact NH2-OD1 3.51Å; R164-D196 PolarHBondContact NH2-OD1 3.43Å; R164-D196 IonicContact NH2-OD2 2.82Å; R164-D196 PolarHBondContact NH2-OD2 3.06Å
165E77.6Confident82.5Confident90 Ų9086.9 Ų86.942%0.42139%0.389SS..Hα-helixtrans-78.9-23.2177.2-163.555.4-139.400112.6Q162 K168 R169Q162-E165 CarbonylContact O-C 3.49Å; Q162-E165 WeakPolarHBondContact O-CA 3.32Å; Q162-E165 PolarHBondContact O-N 2.87Å; E165-K168 WeakPolarHBondContact OE2-CD 3.37Å; E165-K168 IonicContact OE2-NZ 2.7Å; E165-K168 PolarHBondContact OE2-NZ 2.82Å; E165-R169 WeakPolarHBondContact O-CB 3.37Å; E165-R169 VanDerWaalsContact O-CG 3.29Å; E165-R169 WeakPolarHBondContact O-CG 3.42Å; E165-R169 PolarHBondContact O-N 3.05Å; E165-R169 PolarHBondContact O-NE 3.02Å
166V81.3Confident82.9Confident43 Ų4383.2 Ų83.226%0.26137%0.373SS..Hα-helixtrans-72.6-43.6167.11690000109.5Q162 R163 R169 K170Q162-V166 HydrophobicContact CB-CG2 4.44Å; Q162-V166 WeakPolarHBondContact O-CB 3.41Å; Q162-V166 VanDerWaalsContact O-CG2 3.27Å; Q162-V166 WeakPolarHBondContact O-CG2 3.29Å; Q162-V166 PolarHBondContact O-N 3.18Å; R163-V166 CarbonylContact O-C 3.52Å; R163-V166 WeakPolarHBondContact O-CB 3.46Å; R163-V166 PolarHBondContact O-N 3.4Å; V166-R169 CarbonylContact O-C 3.58Å; V166-R169 PolarHBondContact O-N 2.72Å; V166-K170 HydrophobicContact CG1-CD 3.89Å; V166-K170 HydrophobicContact CG1-CG 4.15Å; V166-K170 WeakPolarHBondContact O-CB 3.34Å; V166-K170 WeakPolarHBondContact O-CG 3.5Å; V166-K170 PolarHBondContact O-N 2.81Å
167A84.9Confident83.2Confident3 Ų378.8 Ų78.83%0.02537%0.366CS..Hα-helixtrans-60.7-48.3175.600000111.3R163 R164 R169 K170 I171 I191 D194 L195R163-A167 WeakPolarHBondContact O-CB 3.28Å; R163-A167 PolarHBondContact O-N 2.91Å; R164-A167 PolarHBondContact O-N 2.9Å; A167-R169 VanDerWaalsContact C-N 3.28Å; A167-R169 PolarHBondContact O-N 3.41Å; A167-K170 PolarHBondContact O-N 3.08Å; A167-K170 VanDerWaalsContact O-N 3.11Å; A167-I171 PolarHBondContact O-N 2.91Å; A167-I191 HydrophobicContact CB-CG2 3.95Å; A167-I191 WeakPolarHBondContact O-CG2 3.35Å; A167-D194 HydrophobicContact CB-CB 3.66Å; A167-L195 HydrophobicContact CB-CD2 3.86Å; A167-L195 HydrophobicContact CB-CG 4.28Å
168K86.4Confident83.3Confident51 Ų5185 Ų8522%0.22239%0.393CS..Hα-helixtrans-55.7-40172.3-73.3173.8-1711690112.8R164 E165 R172 L195 W197R164-K168 WeakPolarHBondContact O-CG 3.34Å; R164-K168 PolarHBondContact O-N 2.69Å; E165-K168 WeakPolarHBondContact OE2-CD 3.37Å; E165-K168 IonicContact OE2-NZ 2.7Å; E165-K168 PolarHBondContact OE2-NZ 2.82Å; K168-R172 WeakPolarHBondContact O-CB 3.31Å; K168-R172 WeakPolarHBondContact O-CD 3.44Å; K168-R172 VanDerWaalsContact O-CG 3.27Å; K168-R172 WeakPolarHBondContact O-CG 3.37Å; K168-R172 PolarHBondContact O-N 3.49Å; K168-L195 HydrophobicContact CB-CD2 4.45Å; K168-L195 HydrophobicContact CG-CD2 3.58Å; K168-W197 HydrophobicContact CG-CZ2 4.26Å
169R88.3Confident83.3Confident117 Ų11785.6 Ų85.644%0.44241%0.406SS..Hα-helixtrans-74.4-33.5176.5-75.9179.4-68.6160.1-3.7113.2E165 V166 A167 R173E165-R169 WeakPolarHBondContact O-CB 3.37Å; E165-R169 VanDerWaalsContact O-CG 3.29Å; E165-R169 WeakPolarHBondContact O-CG 3.42Å; E165-R169 PolarHBondContact O-N 3.05Å; E165-R169 PolarHBondContact O-NE 3.02Å; V166-R169 CarbonylContact O-C 3.58Å; V166-R169 PolarHBondContact O-N 2.72Å; A167-R169 VanDerWaalsContact C-N 3.28Å; A167-R169 PolarHBondContact O-N 3.41Å; R169-R173 WeakPolarHBondContact O-CD 3.38Å; R169-R173 VanDerWaalsContact O-CG 3.23Å; R169-R173 WeakPolarHBondContact O-CG 3.47Å
170K91.6Very high84Confident121 Ų12182.8 Ų82.853%0.52640%0.396SS..Hα-helixtrans-70.2-51.4176.3-78.5177.81771760110.3V166 A167 R172 R173 L174 I191V166-K170 HydrophobicContact CG1-CD 3.89Å; V166-K170 HydrophobicContact CG1-CG 4.15Å; V166-K170 WeakPolarHBondContact O-CB 3.34Å; V166-K170 WeakPolarHBondContact O-CG 3.5Å; V166-K170 PolarHBondContact O-N 2.81Å; A167-K170 PolarHBondContact O-N 3.08Å; A167-K170 VanDerWaalsContact O-N 3.11Å; K170-R172 PolarHBondContact O-N 3.14Å; K170-R173 CarbonylContact O-C 3.56Å; K170-R173 PolarHBondContact O-N 3.45Å; K170-L174 PolarHBondContact O-N 3.5Å; K170-I191 HydrophobicContact CB-CD1 4.01Å; K170-I191 HydrophobicContact CB-CG1 4.45Å; K170-I191 HydrophobicContact CB-CG2 4.07Å
171I94.5Very high85Confident0 Ų079.8 Ų79.80%038%0.381CS..Hα-helixtrans-61.9-43.9-176.2-151.9165.1000111.8A167 R173 L174 F188 I191 A192 L195 W197 L202 Q205A167-I171 PolarHBondContact O-N 2.91Å; I171-R173 PolarHBondContact O-N 2.8Å; I171-R173 VanDerWaalsContact O-N 3.14Å; I171-L174 WeakPolarHBondContact O-CB 3.42Å; I171-L174 PolarHBondContact O-N 3.41Å; I171-L174 VanDerWaalsContact O-N 3.08Å; I171-F188 HydrophobicContact CD1-CD1 4.35Å; I171-F188 HydrophobicContact CD1-CD2 4.2Å; I171-F188 HydrophobicContact CD1-CE1 3.93Å; I171-F188 HydrophobicContact CD1-CE2 3.77Å; I171-F188 HydrophobicContact CD1-CG 4.47Å; I171-F188 HydrophobicContact CD1-CZ 3.62Å; I171-F188 HydrophobicContact CG1-CD2 3.89Å; I171-F188 HydrophobicContact CG1-CE2 3.58Å; I171-F188 HydrophobicContact CG1-CZ 3.98Å; I171-I191 HydrophobicContact CB-CG2 3.77Å; I171-I191 HydrophobicContact CD1-CG2 4.42Å; I171-I191 HydrophobicContact CG1-CG2 4.31Å; I171-A192 HydrophobicContact CD1-CB 4.19Å; I171-L195 HydrophobicContact CB-CD1 4.25Å; I171-L195 HydrophobicContact CD1-CD1 3.56Å; I171-L195 HydrophobicContact CG2-CD1 3.81Å; I171-W197 HydrophobicContact CG2-CH2 4.06Å; I171-W197 HydrophobicContact CG2-CZ2 4.49Å; I171-W197 HydrophobicContact CG2-CZ3 4.42Å; I171-L202 HydrophobicContact CD1-CD2 4.39Å; I171-Q205 HydrophobicContact CG1-CG 4.27Å; I171-Q205 HydrophobicContact CG2-CG 4.36Å
172R92.5Very high86.3Confident158 Ų15877.7 Ų77.760%0.59636%0.363SS*.THydrogen-bonded Turntrans-60.4-24.9175.6-76.4175.3176.7-154.4-2.8113.7K168 K170 R175 W197 Q205K168-R172 WeakPolarHBondContact O-CB 3.31Å; K168-R172 WeakPolarHBondContact O-CD 3.44Å; K168-R172 VanDerWaalsContact O-CG 3.27Å; K168-R172 WeakPolarHBondContact O-CG 3.37Å; K168-R172 PolarHBondContact O-N 3.49Å; K170-R172 PolarHBondContact O-N 3.14Å; R172-R175 PolarHBondContact O-NH1 3.03Å; R172-W197 HydrophobicContact CG-CH2 4.34Å; R172-Q205 VanDerWaalsContact CG-OE1 3.23Å
173R92.6Very high87.4Confident198 Ų19876.4 Ų76.475%0.74736%0.36SS*.THydrogen-bonded Turntrans-99.9-10.8178.9-68.2176.1-177-172.70.4113.4R169 K170 I171 R175R169-R173 WeakPolarHBondContact O-CD 3.38Å; R169-R173 VanDerWaalsContact O-CG 3.23Å; R169-R173 WeakPolarHBondContact O-CG 3.47Å; K170-R173 CarbonylContact O-C 3.56Å; K170-R173 PolarHBondContact O-N 3.45Å; I171-R173 PolarHBondContact O-N 2.8Å; I171-R173 VanDerWaalsContact O-N 3.14Å; R173-R175 PolarHBondContact O-N 3.36Å
174L94Very high88.3Confident37 Ų3773.1 Ų73.119%0.19435%0.347CS..  trans-68.8131.1-179.6-165.376.7000108.7K170 I171 Y184 A187 F188 I191K170-L174 PolarHBondContact O-N 3.5Å; I171-L174 WeakPolarHBondContact O-CB 3.42Å; I171-L174 PolarHBondContact O-N 3.41Å; I171-L174 VanDerWaalsContact O-N 3.08Å; L174-Y184 HydrophobicContact CB-CE2 4.36Å; L174-Y184 HydrophobicContact CD2-CD2 3.94Å; L174-Y184 HydrophobicContact CD2-CE2 3.61Å; L174-Y184 HydrophobicContact CG-CD2 4.07Å; L174-Y184 HydrophobicContact CG-CE2 3.71Å; L174-A187 HydrophobicContact CD1-CB 4.2Å; L174-A187 HydrophobicContact CD2-CB 4.17Å; L174-F188 HydrophobicContact CD2-CB 3.74Å; L174-F188 HydrophobicContact CD2-CD2 4.07Å; L174-F188 HydrophobicContact CD2-CG 4.37Å; L174-I191 HydrophobicContact CD1-CD1 4.14Å; L174-I191 HydrophobicContact CD2-CD1 4.24Å
175R93.5Very high89.3Confident122 Ų12269 Ų6946%0.4633%0.332SS..  trans-138.3143176.5-65.8-59.1-178.2-89.513.1108.3R172 R173 G177 E208 G209R172-R175 PolarHBondContact O-NH1 3.03Å; R173-R175 PolarHBondContact O-N 3.36Å; R175-G177 VanDerWaalsContact C-N 3.33Å; R175-E208 PolarHBondContact NE-O 3.18Å; R175-G209 CarbonylContact C-O 3.57Å; R175-G209 WeakPolarHBondContact CA-O 3.39Å
176Q92.2Very high89.9Confident15 Ų1568.8 Ų68.87%0.0733%0.334CS..  trans-61.9-42.3176.4179.9-175.7-9.300111.3M178 G179 Y184 G209 S211Q176-M178 PolarHBondContact O-N 3.3Å; Q176-G179 WeakPolarHBondContact CG-O 3.43Å; Q176-G179 PolarHBondContact NE2-O 2.76Å; Q176-G179 PolarHBondContact O-N 3.41Å; Q176-Y184 HydrophobicContact CB-CD1 4.25Å; Q176-Y184 HydrophobicContact CB-CD2 3.95Å; Q176-Y184 HydrophobicContact CB-CG 3.78Å; Q176-Y184 HydrophobicContact CG-CG 4.31Å; Q176-G209 PolarHBondContact N-O 2.95Å; Q176-S211 PolarHBondContact OE1-OG 2.75Å
177G87.8Confident90.3Very high50 Ų5068.4 Ų68.452%0.51534%0.335SS..THydrogen-bonded Turntrans59.1-127.8-177.400000111.6R175R175-G177 VanDerWaalsContact C-N 3.33Å
178M82.3Confident90.8Very high196 Ų19668.2 Ų68.297%0.96633%0.334SS*.THydrogen-bonded Turntrans-92.74.8175.8-61.8-63.2-6400113.3Q176Q176-M178 PolarHBondContact O-N 3.3Å
179G84.8Confident91Very high35 Ų3569.7 Ų69.736%0.36134%0.342SS..SBendtrans-80.416717900000113.1Q176Q176-G179 WeakPolarHBondContact CG-O 3.43Å; Q176-G179 PolarHBondContact NE2-O 2.76Å; Q176-G179 PolarHBondContact O-N 3.41Å
180S91.3Very high90.9Very high35 Ų3570.7 Ų70.725%0.24535%0.353CS..  trans-71156.5175.578.40000111.7I182 D183 Y184 E238S180-I182 PolarHBondContact O-N 3.46Å; S180-I182 PolarHBondContact OG-N 3.27Å; S180-D183 WeakPolarHBondContact CB-OD2 3.41Å; S180-D183 PolarHBondContact N-OD2 3.15Å; S180-D183 PolarHBondContact O-N 2.85Å; S180-D183 PolarHBondContact OG-N 3.23Å; S180-D183 VanDerWaalsContact OG-N 3.09Å; S180-D183 PolarHBondContact OG-OD2 3.46Å; S180-Y184 PolarHBondContact O-N 3.04Å; S180-Y184 VanDerWaalsContact O-N 3.09Å; S180-E238 VanDerWaalsContact CA-OE1 3.24Å; S180-E238 WeakPolarHBondContact CA-OE1 3.38Å
181V92.5Very high90.7Very high0 Ų066.1 Ų66.10%033%0.334CS..Hα-helixtrans-56.7-36.6170.9174.80000110.9Y184 S185 I214 C234 I235 E238V181-Y184 PolarHBondContact O-N 3.46Å; V181-S185 VanDerWaalsContact O-CB 3.28Å; V181-S185 WeakPolarHBondContact O-CB 3.48Å; V181-S185 PolarHBondContact O-N 3.06Å; V181-S185 PolarHBondContact O-OG 3.41Å; V181-I214 HydrophobicContact CG2-CD1 3.21Å; V181-C234 HydrophobicContact CG1-CB 3.48Å; V181-C234 VanDerWaalsContact CG1-CB 3.48Å; V181-C234 HydrophobicContact CG2-CB 4.32Å; V181-I235 HydrophobicContact CB-CG1 4.27Å; V181-I235 HydrophobicContact CG1-CG1 3.67Å; V181-E238 HydrophobicContact CG2-CB 3.9Å; V181-E238 HydrophobicContact CG2-CG 4.3Å; V181-E238 PolarHBondContact N-OE1 2.61Å
182I90.3Very high90.5Very high67 Ų6766.9 Ų66.934%0.34434%0.34SS..Hα-helixtrans-65.8-47-178.8-64.8171.6000110.6S180 Y184 S185 N186 I235S180-I182 PolarHBondContact O-N 3.46Å; S180-I182 PolarHBondContact OG-N 3.27Å; I182-Y184 VanDerWaalsContact C-N 3.35Å; I182-Y184 PolarHBondContact O-N 3.36Å; I182-S185 WeakPolarHBondContact O-CB 3.36Å; I182-S185 PolarHBondContact O-N 2.72Å; I182-N186 PolarHBondContact O-N 2.75Å; I182-N186 PolarHBondContact O-ND2 2.7Å; I182-I235 HydrophobicContact CG1-CD1 3.91Å; I182-I235 HydrophobicContact CG1-CG1 3.99Å
183D89.7Confident90.1Very high99 Ų9967 Ų6753%0.52935%0.347SS..Hα-helixtrans-63.2-43.1178.6-56.8-49.6000111.2S180 A187S180-D183 WeakPolarHBondContact CB-OD2 3.41Å; S180-D183 PolarHBondContact N-OD2 3.15Å; S180-D183 PolarHBondContact O-N 2.85Å; S180-D183 PolarHBondContact OG-N 3.23Å; S180-D183 VanDerWaalsContact OG-N 3.09Å; S180-D183 PolarHBondContact OG-OD2 3.46Å; D183-A187 WeakPolarHBondContact O-CB 3.38Å; D183-A187 PolarHBondContact O-N 2.74Å
184Y94.3Very high89.6Confident9 Ų959.9 Ų59.94%0.03532%0.324CS..Hα-helixtrans-62-43174.3175.4-108.1000112.2L174 Q176 S180 V181 I182 A187 F188 Y206 G209 L210L174-Y184 HydrophobicContact CB-CE2 4.36Å; L174-Y184 HydrophobicContact CD2-CD2 3.94Å; L174-Y184 HydrophobicContact CD2-CE2 3.61Å; L174-Y184 HydrophobicContact CG-CD2 4.07Å; L174-Y184 HydrophobicContact CG-CE2 3.71Å; Q176-Y184 HydrophobicContact CB-CD1 4.25Å; Q176-Y184 HydrophobicContact CB-CD2 3.95Å; Q176-Y184 HydrophobicContact CB-CG 3.78Å; Q176-Y184 HydrophobicContact CG-CG 4.31Å; S180-Y184 PolarHBondContact O-N 3.04Å; S180-Y184 VanDerWaalsContact O-N 3.09Å; V181-Y184 PolarHBondContact O-N 3.46Å; I182-Y184 VanDerWaalsContact C-N 3.35Å; I182-Y184 PolarHBondContact O-N 3.36Å; Y184-A187 PolarHBondContact O-N 3.32Å; Y184-F188 VanDerWaalsContact O-CB 3.31Å; Y184-F188 WeakPolarHBondContact O-CB 3.48Å; Y184-F188 PolarHBondContact O-N 2.9Å; Y184-Y206 HydrophobicContact CD1-CD2 4.39Å; Y184-Y206 AromaticContact CD1-CE2 3.7Å; Y184-Y206 HydrophobicContact CD1-CE2 3.7Å; Y184-Y206 AromaticContact CD1-CZ 3.89Å; Y184-Y206 HydrophobicContact CE1-CD1 4.45Å; Y184-Y206 AromaticContact CE1-CD2 3.64Å; Y184-Y206 HydrophobicContact CE1-CD2 3.64Å; Y184-Y206 HydrophobicContact CE1-CE1 4.27Å; Y184-Y206 AromaticContact CE1-CE2 3.38Å; Y184-Y206 HydrophobicContact CE1-CE2 3.38Å; Y184-Y206 HydrophobicContact CE1-CG 4.16Å; Y184-Y206 AromaticContact CE1-CZ 3.73Å; Y184-Y206 PolarHBondContact OH-O 3.3Å; Y184-G209 VanDerWaalsContact OH-CA 3.3Å; Y184-G209 WeakPolarHBondContact OH-CA 3.49Å; Y184-L210 HydrophobicContact CD1-CD2 3.89Å; Y184-L210 HydrophobicContact CE1-CD2 3.86Å; Y184-L210 HydrophobicContact CE1-CG 4.25Å
185S93.8Very high89.1Confident3 Ų359.2 Ų59.22%0.02132%0.321CS..Hα-helixtrans-61.5-47.8178.2-60.20000111.9V181 I182 F188 Q189 Y206V181-S185 VanDerWaalsContact O-CB 3.28Å; V181-S185 WeakPolarHBondContact O-CB 3.48Å; V181-S185 PolarHBondContact O-N 3.06Å; V181-S185 PolarHBondContact O-OG 3.41Å; I182-S185 WeakPolarHBondContact O-CB 3.36Å; I182-S185 PolarHBondContact O-N 2.72Å; S185-F188 PolarHBondContact O-N 3.15Å; S185-Q189 WeakPolarHBondContact O-CB 3.33Å; S185-Q189 WeakPolarHBondContact O-CG 3.21Å; S185-Q189 PolarHBondContact O-N 2.85Å; S185-Y206 PolarHBondContact OG-OH 3.25Å
186N89.7Confident88.4Confident85 Ų8558.6 Ų58.646%0.45533%0.327SS..Hα-helixtrans-61.8-46.2178.8-67-20.9000110.8I182 F188 Q189 M190I182-N186 PolarHBondContact O-N 2.75Å; I182-N186 PolarHBondContact O-ND2 2.7Å; N186-F188 PolarHBondContact O-N 3.45Å; N186-Q189 PolarHBondContact O-N 3.47Å; N186-M190 WeakPolarHBondContact O-CB 3.36Å; N186-M190 WeakPolarHBondContact O-CG 3.27Å; N186-M190 PolarHBondContact O-N 3.05Å
187A90Very high88Confident35 Ų3560.4 Ų60.429%0.28933%0.333SS..Hα-helixtrans-63.7-39.117700000112.5L174 D183 Y184 I191L174-A187 HydrophobicContact CD1-CB 4.2Å; L174-A187 HydrophobicContact CD2-CB 4.17Å; D183-A187 WeakPolarHBondContact O-CB 3.38Å; D183-A187 PolarHBondContact O-N 2.74Å; Y184-A187 PolarHBondContact O-N 3.32Å; A187-I191 WeakPolarHBondContact O-CD1 3.43Å; A187-I191 VanDerWaalsContact O-CG1 3.31Å; A187-I191 WeakPolarHBondContact O-CG1 3.26Å; A187-I191 PolarHBondContact O-N 2.95Å
188F95.1Very high88Confident0 Ų063 Ų630%034%0.335CS..Hα-helixtrans-66.2-48.9176.7-171.4-81.8000111.3I171 L174 Y184 S185 N186 M190 I191 A192 L202 Q205 Y206 L227I171-F188 HydrophobicContact CD1-CD1 4.35Å; I171-F188 HydrophobicContact CD1-CD2 4.2Å; I171-F188 HydrophobicContact CD1-CE1 3.93Å; I171-F188 HydrophobicContact CD1-CE2 3.77Å; I171-F188 HydrophobicContact CD1-CG 4.47Å; I171-F188 HydrophobicContact CD1-CZ 3.62Å; I171-F188 HydrophobicContact CG1-CD2 3.89Å; I171-F188 HydrophobicContact CG1-CE2 3.58Å; I171-F188 HydrophobicContact CG1-CZ 3.98Å; L174-F188 HydrophobicContact CD2-CB 3.74Å; L174-F188 HydrophobicContact CD2-CD2 4.07Å; L174-F188 HydrophobicContact CD2-CG 4.37Å; Y184-F188 VanDerWaalsContact O-CB 3.31Å; Y184-F188 WeakPolarHBondContact O-CB 3.48Å; Y184-F188 PolarHBondContact O-N 2.9Å; S185-F188 PolarHBondContact O-N 3.15Å; N186-F188 PolarHBondContact O-N 3.45Å; F188-M190 PolarHBondContact O-N 2.86Å; F188-I191 PolarHBondContact O-N 3.29Å; F188-I191 VanDerWaalsContact O-N 3.15Å; F188-A192 HydrophobicContact CD1-CB 4.36Å; F188-A192 HydrophobicContact CE1-CB 4.33Å; F188-A192 WeakPolarHBondContact O-CB 3.33Å; F188-A192 PolarHBondContact O-N 3.47Å; F188-L202 HydrophobicContact CE1-CD2 4.21Å; F188-L202 HydrophobicContact CZ-CD2 4.42Å; F188-L202 WeakPolarHBondContact CZ-O 3.06Å; F188-Q205 HydrophobicContact CE2-CB 4.38Å; F188-Q205 HydrophobicContact CE2-CG 4.11Å; F188-Q205 HydrophobicContact CZ-CB 4.28Å; F188-Q205 HydrophobicContact CZ-CG 4.38Å; F188-Y206 HydrophobicContact CB-CD2 4.12Å; F188-Y206 HydrophobicContact CB-CE2 4.36Å; F188-Y206 AromaticContact CD1-CD2 3.82Å; F188-Y206 HydrophobicContact CD1-CD2 3.82Å; F188-Y206 AromaticContact CD2-CD2 3.87Å; F188-Y206 HydrophobicContact CD2-CD2 3.87Å; F188-Y206 HydrophobicContact CE1-CD2 4.15Å; F188-Y206 VanDerWaalsContact CE2-CA 3.47Å; F188-Y206 HydrophobicContact CE2-CD2 4.2Å; F188-Y206 HydrophobicContact CE2-CG 4.5Å; F188-Y206 AromaticContact CG-CD2 3.67Å; F188-Y206 HydrophobicContact CG-CD2 3.67Å; F188-Y206 HydrophobicContact CG-CE2 4.39Å; F188-Y206 HydrophobicContact CZ-CD2 4.34Å; F188-L227 HydrophobicContact CD1-CD2 4.4Å; F188-L227 HydrophobicContact CE1-CD1 4.32Å; F188-L227 HydrophobicContact CE1-CD2 4.11Å
189Q91.3Very high88.3Confident82 Ų8258.2 Ų58.238%0.38331%0.31SS..Hα-helixtrans-62-41.4179.6-74.6-178.6-31.500112S185 N186 I191 A192 Q193 I231S185-Q189 WeakPolarHBondContact O-CB 3.33Å; S185-Q189 WeakPolarHBondContact O-CG 3.21Å; S185-Q189 PolarHBondContact O-N 2.85Å; N186-Q189 PolarHBondContact O-N 3.47Å; Q189-I191 VanDerWaalsContact C-N 3.31Å; Q189-I191 PolarHBondContact O-N 3.23Å; Q189-A192 PolarHBondContact O-N 3.32Å; Q189-Q193 WeakPolarHBondContact O-CG 3.38Å; Q189-Q193 PolarHBondContact O-N 3.41Å; Q189-Q193 VanDerWaalsContact O-N 3.15Å; Q189-I231 HydrophobicContact CG-CD1 4.22Å
190M84.9Confident88.6Confident138 Ų13860.3 Ų60.368%0.6832%0.317SS*.Hα-helixtrans-57.7-40.9173.1-80.7-172.170.200112.9N186 F188N186-M190 WeakPolarHBondContact O-CB 3.36Å; N186-M190 WeakPolarHBondContact O-CG 3.27Å; N186-M190 PolarHBondContact O-N 3.05Å; F188-M190 PolarHBondContact O-N 2.86Å
191I88.6Confident88.6Confident25 Ų2560.2 Ų60.213%0.12832%0.319CS..Hα-helixtrans-77.1-32.7179-59.6160.1000111A167 K170 I171 L174 A187 F188 Q189 Q193 D194A167-I191 HydrophobicContact CB-CG2 3.95Å; A167-I191 WeakPolarHBondContact O-CG2 3.35Å; K170-I191 HydrophobicContact CB-CD1 4.01Å; K170-I191 HydrophobicContact CB-CG1 4.45Å; K170-I191 HydrophobicContact CB-CG2 4.07Å; I171-I191 HydrophobicContact CB-CG2 3.77Å; I171-I191 HydrophobicContact CD1-CG2 4.42Å; I171-I191 HydrophobicContact CG1-CG2 4.31Å; L174-I191 HydrophobicContact CD1-CD1 4.14Å; L174-I191 HydrophobicContact CD2-CD1 4.24Å; A187-I191 WeakPolarHBondContact O-CD1 3.43Å; A187-I191 VanDerWaalsContact O-CG1 3.31Å; A187-I191 WeakPolarHBondContact O-CG1 3.26Å; A187-I191 PolarHBondContact O-N 2.95Å; F188-I191 PolarHBondContact O-N 3.29Å; F188-I191 VanDerWaalsContact O-N 3.15Å; Q189-I191 VanDerWaalsContact C-N 3.31Å; Q189-I191 PolarHBondContact O-N 3.23Å; I191-Q193 VanDerWaalsContact C-N 3.29Å; I191-Q193 PolarHBondContact O-N 3.09Å; I191-D194 PolarHBondContact O-N 3.49Å
192A89.6Confident88.6Confident15 Ų1561.2 Ų61.212%0.12432%0.324CS..Hα-helixtrans-67.3-25.8179.300000113.3I171 F188 Q189 D194 L195 L202I171-A192 HydrophobicContact CD1-CB 4.19Å; F188-A192 HydrophobicContact CD1-CB 4.36Å; F188-A192 HydrophobicContact CE1-CB 4.33Å; F188-A192 WeakPolarHBondContact O-CB 3.33Å; F188-A192 PolarHBondContact O-N 3.47Å; Q189-A192 PolarHBondContact O-N 3.32Å; A192-D194 PolarHBondContact O-N 3.09Å; A192-L195 WeakPolarHBondContact O-CB 3.45Å; A192-L195 PolarHBondContact O-N 3.3Å; A192-L202 HydrophobicContact CB-CD2 4.05Å
193Q84.1Confident88.8Confident160 Ų16059 Ų5975%0.74831%0.313SS*.THydrogen-bonded Turntrans-58.9-29.8173.7-75.4175.1-9.300113.5Q189 I191 L195Q189-Q193 WeakPolarHBondContact O-CG 3.38Å; Q189-Q193 PolarHBondContact O-N 3.41Å; Q189-Q193 VanDerWaalsContact O-N 3.15Å; I191-Q193 VanDerWaalsContact C-N 3.29Å; I191-Q193 PolarHBondContact O-N 3.09Å; Q193-L195 VanDerWaalsContact C-N 3.26Å; Q193-L195 PolarHBondContact O-N 3.32Å
194D81.4Confident88.9Confident50 Ų5059.3 Ų59.327%0.26731%0.314SS..THydrogen-bonded Turntrans-86.710178-70.5-14.8000112.9R163 A167 I191 A192R163-D194 WeakPolarHBondContact CG-OD2 3.49Å; R163-D194 IonicContact CZ-OD1 2.66Å; R163-D194 IonicContact CZ-OD2 2.69Å; R163-D194 VanDerWaalsContact NE-CG 3.29Å; R163-D194 IonicContact NE-OD1 3.14Å; R163-D194 PolarHBondContact NE-OD1 2.58Å; R163-D194 VanDerWaalsContact NE-OD1 3.16Å; R163-D194 IonicContact NE-OD2 2.7Å; R163-D194 PolarHBondContact NE-OD2 3.16Å; R163-D194 IonicContact NH2-OD1 2.68Å; R163-D194 PolarHBondContact NH2-OD1 3.33Å; R163-D194 IonicContact NH2-OD2 2.8Å; R163-D194 PolarHBondContact NH2-OD2 3.19Å; A167-D194 HydrophobicContact CB-CB 3.66Å; I191-D194 PolarHBondContact O-N 3.49Å; A192-D194 PolarHBondContact O-N 3.09Å
195L83.3Confident89Confident23 Ų2359.7 Ų59.712%0.1232%0.316CS..  trans-122.6152.2-175.1-58.6178.3000112.4A167 K168 I171 A192 Q193 W197A167-L195 HydrophobicContact CB-CD2 3.86Å; A167-L195 HydrophobicContact CB-CG 4.28Å; K168-L195 HydrophobicContact CB-CD2 4.45Å; K168-L195 HydrophobicContact CG-CD2 3.58Å; I171-L195 HydrophobicContact CB-CD1 4.25Å; I171-L195 HydrophobicContact CD1-CD1 3.56Å; I171-L195 HydrophobicContact CG2-CD1 3.81Å; A192-L195 WeakPolarHBondContact O-CB 3.45Å; A192-L195 PolarHBondContact O-N 3.3Å; Q193-L195 VanDerWaalsContact C-N 3.26Å; Q193-L195 PolarHBondContact O-N 3.32Å; L195-W197 HydrophobicContact CB-CG 4.31Å; L195-W197 HydrophobicContact CD1-CD2 4.35Å
196D78.9Confident89Confident108 Ų10859.5 Ų59.558%0.57832%0.315SS*.  trans-10623.8176.465.4-26.2000111.7R164R164-D196 VanDerWaalsContact CZ-CG 3.49Å; R164-D196 IonicContact CZ-OD1 3.14Å; R164-D196 IonicContact CZ-OD2 3.94Å; R164-D196 IonicContact NH1-OD1 3.69Å; R164-D196 PolarHBondContact NH1-OD1 2.93Å; R164-D196 IonicContact NH1-OD2 3.41Å; R164-D196 PolarHBondContact NH1-OD2 3.32Å; R164-D196 IonicContact NH2-OD1 3.51Å; R164-D196 PolarHBondContact NH2-OD1 3.43Å; R164-D196 IonicContact NH2-OD2 2.82Å; R164-D196 PolarHBondContact NH2-OD2 3.06Å
197W84.6Confident89.2Confident53 Ų5358.8 Ų58.820%0.20131%0.309CS..  trans-74.5139.3-175.5-69.719.1000109.6K168 I171 R172 L195 A201 L202 Q205K168-W197 HydrophobicContact CG-CZ2 4.26Å; I171-W197 HydrophobicContact CG2-CH2 4.06Å; I171-W197 HydrophobicContact CG2-CZ2 4.49Å; I171-W197 HydrophobicContact CG2-CZ3 4.42Å; R172-W197 HydrophobicContact CG-CH2 4.34Å; L195-W197 HydrophobicContact CB-CG 4.31Å; L195-W197 HydrophobicContact CD1-CD2 4.35Å; W197-A201 HydrophobicContact CB-CB 4.32Å; W197-A201 HydrophobicContact CE3-CB 4.07Å; W197-L202 HydrophobicContact CB-CD2 3.85Å; W197-L202 HydrophobicContact CB-CG 3.89Å; W197-L202 HydrophobicContact CE3-CD2 4.34Å; W197-Q205 HydrophobicContact CH2-CG 4.49Å; W197-Q205 HydrophobicContact CZ3-CB 3.86Å; W197-Q205 HydrophobicContact CZ3-CG 3.88Å
198N88.6Confident89.3Confident104 Ų10462.4 Ų62.456%0.55632%0.32SS*.  trans-68.7160.1173.66226.6000111.2A201 L202N198-A201 PolarHBondContact O-N 2.96Å; N198-A201 VanDerWaalsContact O-N 3.15Å; N198-A201 VanDerWaalsContact OD1-CB 3.25Å; N198-A201 WeakPolarHBondContact OD1-CB 3.25Å; N198-A201 PolarHBondContact OD1-N 3.4Å; N198-L202 PolarHBondContact O-N 2.77Å; N198-L202 VanDerWaalsContact O-N 3.09Å
199E88.3Confident89.1Confident96 Ų9662.4 Ų62.445%0.44932%0.32SS..Hα-helixtrans-53.2-43.2-179.1-78.6-160.7107.600114A201 L202 I203 S226 L227E199-A201 PolarHBondContact O-N 2.95Å; E199-L202 PolarHBondContact O-N 2.94Å; E199-I203 HydrophobicContact CB-CD1 4.46Å; E199-I203 WeakPolarHBondContact O-CB 3.27Å; E199-I203 VanDerWaalsContact O-CG1 3.28Å; E199-I203 WeakPolarHBondContact O-CG1 3.42Å; E199-I203 PolarHBondContact O-N 3.32Å; E199-S226 VanDerWaalsContact OE1-CA 3.29Å; E199-S226 WeakPolarHBondContact OE1-CA 3.29Å; E199-S226 WeakPolarHBondContact OE1-CB 3.47Å; E199-L227 PolarHBondContact OE1-N 2.97Å
200P90.7Very high89.3Confident79 Ų7958.8 Ų58.851%0.51330%0.303SS..Hα-helixtrans-56.7-46.4176-27.836.3000113.5L202 I203 D204P200-L202 VanDerWaalsContact C-N 3.3Å; P200-L202 PolarHBondContact O-N 3.47Å; P200-I203 PolarHBondContact O-N 3.48Å; P200-D204 PolarHBondContact O-N 3.06Å
201A91.7Very high89.7Confident33 Ų3352.8 Ų52.827%0.27328%0.275SS..Hα-helixtrans-67.3-30.3178.500000113W197 N198 E199 Q205W197-A201 HydrophobicContact CB-CB 4.32Å; W197-A201 HydrophobicContact CE3-CB 4.07Å; N198-A201 PolarHBondContact O-N 2.96Å; N198-A201 VanDerWaalsContact O-N 3.15Å; N198-A201 VanDerWaalsContact OD1-CB 3.25Å; N198-A201 WeakPolarHBondContact OD1-CB 3.25Å; N198-A201 PolarHBondContact OD1-N 3.4Å; E199-A201 PolarHBondContact O-N 2.95Å; A201-Q205 VanDerWaalsContact O-CB 3.26Å; A201-Q205 WeakPolarHBondContact O-CB 3.28Å; A201-Q205 PolarHBondContact O-N 2.78Å; A201-Q205 VanDerWaalsContact O-N 3.17Å
202L92.8Very high89.7Confident22 Ų2257.9 Ų57.912%0.11530%0.302CS..Hα-helixtrans-72.4-40.7172.5-68.3174.1000111.8I171 F188 A192 W197 N198 E199 P200 Q205 Y206 L227I171-L202 HydrophobicContact CD1-CD2 4.39Å; F188-L202 HydrophobicContact CE1-CD2 4.21Å; F188-L202 HydrophobicContact CZ-CD2 4.42Å; F188-L202 WeakPolarHBondContact CZ-O 3.06Å; A192-L202 HydrophobicContact CB-CD2 4.05Å; W197-L202 HydrophobicContact CB-CD2 3.85Å; W197-L202 HydrophobicContact CB-CG 3.89Å; W197-L202 HydrophobicContact CE3-CD2 4.34Å; N198-L202 PolarHBondContact O-N 2.77Å; N198-L202 VanDerWaalsContact O-N 3.09Å; E199-L202 PolarHBondContact O-N 2.94Å; P200-L202 VanDerWaalsContact C-N 3.3Å; P200-L202 PolarHBondContact O-N 3.47Å; L202-Q205 PolarHBondContact O-N 2.75Å; L202-Y206 WeakPolarHBondContact O-CB 3.45Å; L202-Y206 PolarHBondContact O-N 2.68Å; L202-L227 HydrophobicContact CB-CD2 4.33Å
203I93.1Very high89.6Confident20 Ų2062 Ų6210%0.10332%0.319CS..Hα-helixtrans-60.3-51.2175.2-77.1163.5000110.5E199 P200 Q205 Y206 H207 L227 L230E199-I203 HydrophobicContact CB-CD1 4.46Å; E199-I203 WeakPolarHBondContact O-CB 3.27Å; E199-I203 VanDerWaalsContact O-CG1 3.28Å; E199-I203 WeakPolarHBondContact O-CG1 3.42Å; E199-I203 PolarHBondContact O-N 3.32Å; P200-I203 PolarHBondContact O-N 3.48Å; I203-Q205 PolarHBondContact O-N 2.9Å; I203-Y206 PolarHBondContact O-N 3.13Å; I203-H207 WeakPolarHBondContact O-CB 2.87Å; I203-H207 PolarHBondContact O-N 2.82Å; I203-L227 HydrophobicContact CG1-CB 4.46Å; I203-L230 HydrophobicContact CB-CD2 4.48Å; I203-L230 HydrophobicContact CG1-CD2 4.49Å; I203-L230 HydrophobicContact CG2-CD2 4.11Å
204D92.5Very high90Very high106 Ų10654.4 Ų54.457%0.56728%0.283SS*.Hα-helixtrans-59.7-47.5178.6-71.5-16.4000111P200 Y206 H207 E208P200-D204 PolarHBondContact O-N 3.06Å; D204-Y206 PolarHBondContact O-N 3.27Å; D204-H207 PolarHBondContact O-N 3.41Å; D204-E208 PolarHBondContact O-N 3.07Å
205Q95.1Very high90.4Very high16 Ų1654.4 Ų54.48%0.07528%0.282CS..Hα-helixtrans-69.5-32-178.2-17462.99700113.3I171 R172 F188 W197 A201 L202 I203 E208I171-Q205 HydrophobicContact CG1-CG 4.27Å; I171-Q205 HydrophobicContact CG2-CG 4.36Å; R172-Q205 VanDerWaalsContact CG-OE1 3.23Å; F188-Q205 HydrophobicContact CE2-CB 4.38Å; F188-Q205 HydrophobicContact CE2-CG 4.11Å; F188-Q205 HydrophobicContact CZ-CB 4.28Å; F188-Q205 HydrophobicContact CZ-CG 4.38Å; W197-Q205 HydrophobicContact CH2-CG 4.49Å; W197-Q205 HydrophobicContact CZ3-CB 3.86Å; W197-Q205 HydrophobicContact CZ3-CG 3.88Å; A201-Q205 VanDerWaalsContact O-CB 3.26Å; A201-Q205 WeakPolarHBondContact O-CB 3.28Å; A201-Q205 PolarHBondContact O-N 2.78Å; A201-Q205 VanDerWaalsContact O-N 3.17Å; L202-Q205 PolarHBondContact O-N 2.75Å; I203-Q205 PolarHBondContact O-N 2.9Å; Q205-E208 PolarHBondContact NE2-OE2 3.45Å
206Y94.9Very high90.7Very high0 Ų059.6 Ų59.60%031%0.305CS..Hα-helixtrans-68.1-46.4172.3-177.6-88000110.3Y184 S185 F188 L202 I203 D204 E208 G209 L210 L227 L230 I231Y184-Y206 HydrophobicContact CD1-CD2 4.39Å; Y184-Y206 AromaticContact CD1-CE2 3.7Å; Y184-Y206 HydrophobicContact CD1-CE2 3.7Å; Y184-Y206 AromaticContact CD1-CZ 3.89Å; Y184-Y206 HydrophobicContact CE1-CD1 4.45Å; Y184-Y206 AromaticContact CE1-CD2 3.64Å; Y184-Y206 HydrophobicContact CE1-CD2 3.64Å; Y184-Y206 HydrophobicContact CE1-CE1 4.27Å; Y184-Y206 AromaticContact CE1-CE2 3.38Å; Y184-Y206 HydrophobicContact CE1-CE2 3.38Å; Y184-Y206 HydrophobicContact CE1-CG 4.16Å; Y184-Y206 AromaticContact CE1-CZ 3.73Å; Y184-Y206 PolarHBondContact OH-O 3.3Å; S185-Y206 PolarHBondContact OG-OH 3.25Å; F188-Y206 HydrophobicContact CB-CD2 4.12Å; F188-Y206 HydrophobicContact CB-CE2 4.36Å; F188-Y206 AromaticContact CD1-CD2 3.82Å; F188-Y206 HydrophobicContact CD1-CD2 3.82Å; F188-Y206 AromaticContact CD2-CD2 3.87Å; F188-Y206 HydrophobicContact CD2-CD2 3.87Å; F188-Y206 HydrophobicContact CE1-CD2 4.15Å; F188-Y206 VanDerWaalsContact CE2-CA 3.47Å; F188-Y206 HydrophobicContact CE2-CD2 4.2Å; F188-Y206 HydrophobicContact CE2-CG 4.5Å; F188-Y206 AromaticContact CG-CD2 3.67Å; F188-Y206 HydrophobicContact CG-CD2 3.67Å; F188-Y206 HydrophobicContact CG-CE2 4.39Å; F188-Y206 HydrophobicContact CZ-CD2 4.34Å; L202-Y206 WeakPolarHBondContact O-CB 3.45Å; L202-Y206 PolarHBondContact O-N 2.68Å; I203-Y206 PolarHBondContact O-N 3.13Å; D204-Y206 PolarHBondContact O-N 3.27Å; Y206-E208 PolarHBondContact O-N 3.28Å; Y206-G209 PolarHBondContact O-N 2.87Å; Y206-L210 HydrophobicContact CD1-CD1 4.11Å; Y206-L210 HydrophobicContact CD1-CD2 4.47Å; Y206-L210 HydrophobicContact CD1-CG 4.23Å; Y206-L210 HydrophobicContact CE1-CD1 3.85Å; Y206-L210 HydrophobicContact CE1-CD2 3.73Å; Y206-L210 HydrophobicContact CE1-CG 3.94Å; Y206-L210 PolarHBondContact O-N 2.93Å; Y206-L227 HydrophobicContact CD1-CD1 4.48Å; Y206-L227 HydrophobicContact CD2-CD1 4.06Å; Y206-L227 HydrophobicContact CG-CD1 3.88Å; Y206-L230 HydrophobicContact CD1-CD2 3.52Å; Y206-L230 HydrophobicContact CD1-CG 3.92Å; Y206-L230 HydrophobicContact CE1-CD2 4.19Å; Y206-L230 HydrophobicContact CE1-CG 4.08Å; Y206-L230 HydrophobicContact CG-CD2 4.34Å; Y206-I231 HydrophobicContact CE1-CG1 4.28Å; Y206-I231 HydrophobicContact CE2-CD1 4.39Å; Y206-I231 HydrophobicContact CE2-CG1 3.87Å
207H92.9Very high91.1Very high70 Ų7057.2 Ų57.232%0.32429%0.291SS..Hα-helixtrans-58.2-48.4177.7-171.2-80.8000111.5I203 D204 G209 L210 Q215I203-H207 WeakPolarHBondContact O-CB 2.87Å; I203-H207 PolarHBondContact O-N 2.82Å; D204-H207 PolarHBondContact O-N 3.41Å; H207-G209 PolarHBondContact O-N 2.86Å; H207-L210 PolarHBondContact O-N 2.98Å; H207-Q215 PolarHBondContact O-NE2 3.15Å
208E92.1Very high91.3Very high110 Ų11055.3 Ų55.351%0.51428%0.284SS..THydrogen-bonded Turntrans-53.3-24.1174.1-80.9-168.1171.200114.6R175 D204 Q205 Y206R175-E208 PolarHBondContact NE-O 3.18Å; D204-E208 PolarHBondContact O-N 3.07Å; Q205-E208 PolarHBondContact NE2-OE2 3.45Å; Y206-E208 PolarHBondContact O-N 3.28Å
209G92.4Very high91.2Very high0 Ų054.3 Ų54.30%029%0.286CS..THydrogen-bonded Turntrans-100.6-9.7-174.600000116.1R175 Q176 Y184 Y206 H207R175-G209 CarbonylContact C-O 3.57Å; R175-G209 WeakPolarHBondContact CA-O 3.39Å; Q176-G209 PolarHBondContact N-O 2.95Å; Y184-G209 VanDerWaalsContact OH-CA 3.3Å; Y184-G209 WeakPolarHBondContact OH-CA 3.49Å; Y206-G209 PolarHBondContact O-N 2.87Å; H207-G209 PolarHBondContact O-N 2.86Å
210L94.3Very high91.1Very high7 Ų756.2 Ų56.24%0.03729%0.294CS..SBendtrans-65.8165.9172.7-69.9170.4000112.5Y184 Y206 H207 I214 Q215 L218 C234Y184-L210 HydrophobicContact CD1-CD2 3.89Å; Y184-L210 HydrophobicContact CE1-CD2 3.86Å; Y184-L210 HydrophobicContact CE1-CG 4.25Å; Y206-L210 HydrophobicContact CD1-CD1 4.11Å; Y206-L210 HydrophobicContact CD1-CD2 4.47Å; Y206-L210 HydrophobicContact CD1-CG 4.23Å; Y206-L210 HydrophobicContact CE1-CD1 3.85Å; Y206-L210 HydrophobicContact CE1-CD2 3.73Å; Y206-L210 HydrophobicContact CE1-CG 3.94Å; Y206-L210 PolarHBondContact O-N 2.93Å; H207-L210 PolarHBondContact O-N 2.98Å; L210-I214 HydrophobicContact CD1-CG2 4.23Å; L210-Q215 HydrophobicContact CB-CG 3.99Å; L210-Q215 PolarHBondContact O-NE2 3.1Å; L210-L218 HydrophobicContact CD1-CD1 3.45Å; L210-L218 VanDerWaalsContact CD1-CD1 3.45Å; L210-C234 VanDerWaalsContact CD1-SG 3.55Å
211S93.3Very high90.9Very high12 Ų1256 Ų568%0.08429%0.288CS..  trans-73.1146.3170.861.50000112.4Q176 H213 I214 Q215Q176-S211 PolarHBondContact OE1-OG 2.75Å; S211-H213 WeakPolarHBondContact CB-CE1 3.41Å; S211-H213 PolarHBondContact O-N 2.97Å; S211-H213 VanDerWaalsContact O-N 3.13Å; S211-H213 PolarHBondContact OG-CD2 3.11Å; S211-H213 PolarHBondContact OG-CE1 3.19Å; S211-H213 PolarHBondContact OG-ND1 2.88Å; S211-H213 PolarHBondContact OG-NE2 2.74Å; S211-I214 PolarHBondContact O-N 3.43Å; S211-I214 WeakPolarHBondContact OG-CG1 3.48Å; S211-Q215 PolarHBondContact O-N 3.2Å
212D89.3Confident90.5Very high131 Ų13162.8 Ų62.870%0.70131%0.314SS*.Hα-helixtrans-51.5-40.1-179.2-49.8-14.7000112.6I214 Q215 E216D212-I214 VanDerWaalsContact C-N 3.29Å; D212-I214 PolarHBondContact O-N 3.01Å; D212-Q215 PolarHBondContact O-N 2.77Å; D212-E216 WeakPolarHBondContact O-CB 3.48Å; D212-E216 PolarHBondContact O-N 3.21Å
213H88.4Confident90Very high103 Ų10367.9 Ų67.948%0.47735%0.346SS..Hα-helixtrans-71.2-17.7179.961-99.2000114.3S211 E217S211-H213 WeakPolarHBondContact CB-CE1 3.41Å; S211-H213 PolarHBondContact O-N 2.97Å; S211-H213 VanDerWaalsContact O-N 3.13Å; S211-H213 PolarHBondContact OG-CD2 3.11Å; S211-H213 PolarHBondContact OG-CE1 3.19Å; S211-H213 PolarHBondContact OG-ND1 2.88Å; S211-H213 PolarHBondContact OG-NE2 2.74Å; H213-E217 WeakPolarHBondContact O-CG 3.24Å
214I90.9Very high89.7Confident0 Ų067.4 Ų67.40%035%0.346CS..Hα-helixtrans-92.1-37.5170.9-63.7-176.4000110V181 L210 S211 D212 E216 E217 L218 C234 I237 E238V181-I214 HydrophobicContact CG2-CD1 3.21Å; L210-I214 HydrophobicContact CD1-CG2 4.23Å; S211-I214 PolarHBondContact O-N 3.43Å; S211-I214 WeakPolarHBondContact OG-CG1 3.48Å; D212-I214 VanDerWaalsContact C-N 3.29Å; D212-I214 PolarHBondContact O-N 3.01Å; I214-E216 VanDerWaalsContact C-N 3.34Å; I214-E216 PolarHBondContact O-N 3.38Å; I214-E217 PolarHBondContact O-N 3.44Å; I214-L218 HydrophobicContact CG2-CD1 3.95Å; I214-L218 HydrophobicContact CG2-CG 4.22Å; I214-L218 WeakPolarHBondContact O-CB 3.25Å; I214-L218 VanDerWaalsContact O-CG 3.26Å; I214-L218 WeakPolarHBondContact O-CG 3.5Å; I214-L218 PolarHBondContact O-N 3.08Å; I214-C234 HydrophobicContact CG2-CB 4.27Å; I214-I237 HydrophobicContact CG1-CG2 4.27Å; I214-I237 HydrophobicContact CG2-CG2 4.32Å; I214-E238 HydrophobicContact CD1-CB 4.36Å
215Q90.9Very high89.4Confident50 Ų5071.6 Ų71.623%0.23436%0.359CS..Hα-helixtrans-59.7-41.6173.2-67.8178.7-0.200112.2H207 L210 S211 D212 L218 S219H207-Q215 PolarHBondContact O-NE2 3.15Å; L210-Q215 HydrophobicContact CB-CG 3.99Å; L210-Q215 PolarHBondContact O-NE2 3.1Å; S211-Q215 PolarHBondContact O-N 3.2Å; D212-Q215 PolarHBondContact O-N 2.77Å; Q215-L218 PolarHBondContact O-N 3.04Å; Q215-S219 PolarHBondContact O-N 3.38Å
216E89.1Confident89.1Confident131 Ų13172.1 Ų72.161%0.61236%0.364SS*.Hα-helixtrans-60.4-49.9176.3-173.9172.6-157.200111.3D212 I214 L218 S219D212-E216 WeakPolarHBondContact O-CB 3.48Å; D212-E216 PolarHBondContact O-N 3.21Å; I214-E216 VanDerWaalsContact C-N 3.34Å; I214-E216 PolarHBondContact O-N 3.38Å; E216-L218 VanDerWaalsContact C-N 3.34Å; E216-L218 PolarHBondContact O-N 2.85Å; E216-S219 WeakPolarHBondContact O-CB 3.39Å; E216-S219 PolarHBondContact O-N 3.27Å; E216-S219 VanDerWaalsContact O-N 3.17Å; E216-S219 PolarHBondContact O-OG 3.48Å
217E86.9Confident88.9Confident58 Ų5873 Ų7327%0.27137%0.369SS..Hα-helixtrans-67.5-29.9177.9-69.2-82.2175.300113.3H213 I214 I237 R240 L241H213-E217 WeakPolarHBondContact O-CG 3.24Å; I214-E217 PolarHBondContact O-N 3.44Å; E217-I237 HydrophobicContact CB-CD1 4.13Å; E217-I237 HydrophobicContact CB-CG1 4.4Å; E217-I237 HydrophobicContact CB-CG2 3.66Å; E217-I237 HydrophobicContact CG-CG2 4.09Å; E217-R240 IonicContact OE2-CZ 3.61Å; E217-R240 IonicContact OE2-NE 2.7Å; E217-R240 IonicContact OE2-NH2 3.49Å; E217-R240 PolarHBondContact OE2-NH2 3.3Å; E217-L241 HydrophobicContact CG-CD2 4.5Å
218L89Confident88.9Confident13 Ų1373.8 Ų73.87%0.06838%0.382CS..Hα-helixtrans-70-33.1171.6-78.5169.8000112.4L210 I214 Q215 E216 H220 L221 L230 Q233 I237L210-L218 HydrophobicContact CD1-CD1 3.45Å; L210-L218 VanDerWaalsContact CD1-CD1 3.45Å; I214-L218 HydrophobicContact CG2-CD1 3.95Å; I214-L218 HydrophobicContact CG2-CG 4.22Å; I214-L218 WeakPolarHBondContact O-CB 3.25Å; I214-L218 VanDerWaalsContact O-CG 3.26Å; I214-L218 WeakPolarHBondContact O-CG 3.5Å; I214-L218 PolarHBondContact O-N 3.08Å; Q215-L218 PolarHBondContact O-N 3.04Å; E216-L218 VanDerWaalsContact C-N 3.34Å; E216-L218 PolarHBondContact O-N 2.85Å; L218-H220 PolarHBondContact O-N 3.41Å; L218-L221 PolarHBondContact O-N 2.92Å; L218-L230 HydrophobicContact CD1-CD1 4.21Å; L218-L230 HydrophobicContact CD2-CD1 4.02Å; L218-Q233 HydrophobicContact CD2-CB 4.12Å; L218-I237 HydrophobicContact CD2-CD1 3.61Å; L218-I237 HydrophobicContact CG-CD1 3.7Å
219S87.4Confident88.8Confident84 Ų8470.6 Ų70.659%0.58738%0.375SS*.THydrogen-bonded Turntrans-62.3-16.4179.780.80000113.7Q215 E216Q215-S219 PolarHBondContact O-N 3.38Å; E216-S219 WeakPolarHBondContact O-CB 3.39Å; E216-S219 PolarHBondContact O-N 3.27Å; E216-S219 VanDerWaalsContact O-N 3.17Å; E216-S219 PolarHBondContact O-OG 3.48Å
220H85.7Confident88.9Confident136 Ų13671 Ų7163%0.6338%0.376SS*.THydrogen-bonded Turntrans-93.5-0.6175.8-58.1-33.7000113.9L218L218-H220 PolarHBondContact O-N 3.41Å
221L85.7Confident88.8Confident74 Ų7471.4 Ų71.439%0.38738%0.379SS..SBendtrans-110.7162.2-179-60.9-178.6000111.7L218 I237L218-L221 PolarHBondContact O-N 2.92Å; L221-I237 HydrophobicContact CD1-CD1 3.97Å
222E83.9Confident88.8Confident175 Ų17572.7 Ų72.782%0.81839%0.394SS*.PPolyproline II helixtrans-67.3137.4172-65.8-172.516600111.3A224 Q233E222-A224 PolarHBondContact O-N 2.85Å; E222-Q233 PolarHBondContact O-NE2 2.87Å
223V82.9Confident88.9Confident129 Ų12969 Ų6978%0.78237%0.373SS*.PPolyproline II helixtrans-57121.2179.6-177.80000110.3
224A86.4Confident89.2Confident11 Ų1164.1 Ų64.19%0.09135%0.35CS..PPolyproline II helixtrans-62135.9178.400000111.6E222 A229 L230E222-A224 PolarHBondContact O-N 2.85Å; A224-A229 HydrophobicContact CB-CB 4.2Å; A224-L230 HydrophobicContact CB-CB 3.73Å; A224-L230 HydrophobicContact CB-CD1 4.23Å
225K85Confident89.3Confident194 Ų19465.7 Ų65.784%0.84336%0.358SS*.SBendtrans-86.5-11.6-178.9-62.8-178.6-177.3175.60114.2
226S90.6Very high89.3Confident27 Ų2769.2 Ų69.219%0.18937%0.374CS..SBendtrans-142.6156.1178.369.70000110.6E199 S228 A229 L230E199-S226 VanDerWaalsContact OE1-CA 3.29Å; E199-S226 WeakPolarHBondContact OE1-CA 3.29Å; E199-S226 WeakPolarHBondContact OE1-CB 3.47Å; S226-S228 VanDerWaalsContact C-N 3.26Å; S226-S228 PolarHBondContact O-N 2.89Å; S226-S228 PolarHBondContact OG-OG 2.81Å; S226-A229 PolarHBondContact O-N 2.98Å; S226-A229 WeakPolarHBondContact OG-CB 3.37Å; S226-A229 PolarHBondContact OG-N 3.28Å; S226-A229 VanDerWaalsContact OG-N 3.16Å; S226-L230 PolarHBondContact O-N 3.14Å; S226-L230 VanDerWaalsContact O-N 3.14Å
227L90.6Very high89.4Confident18 Ų1863.1 Ų63.19%0.09435%0.346CS..Hα-helixtrans-62.4-35.8177.3-17964000111.6F188 E199 L202 I203 Y206 L230 I231F188-L227 HydrophobicContact CD1-CD2 4.4Å; F188-L227 HydrophobicContact CE1-CD1 4.32Å; F188-L227 HydrophobicContact CE1-CD2 4.11Å; E199-L227 PolarHBondContact OE1-N 2.97Å; L202-L227 HydrophobicContact CB-CD2 4.33Å; I203-L227 HydrophobicContact CG1-CB 4.46Å; Y206-L227 HydrophobicContact CD1-CD1 4.48Å; Y206-L227 HydrophobicContact CD2-CD1 4.06Å; Y206-L227 HydrophobicContact CG-CD1 3.88Å; L227-L230 PolarHBondContact O-N 3.29Å; L227-I231 HydrophobicContact CD1-CD1 4.33Å; L227-I231 HydrophobicContact CG-CD1 3.97Å; L227-I231 WeakPolarHBondContact O-CG1 3.46Å; L227-I231 PolarHBondContact O-N 3.01Å
228S91.5Very high89.7Confident86 Ų8662.5 Ų62.560%0.60134%0.343SS*.Hα-helixtrans-64.9-39.5177.254.20000112.8S226 G232S226-S228 VanDerWaalsContact C-N 3.26Å; S226-S228 PolarHBondContact O-N 2.89Å; S226-S228 PolarHBondContact OG-OG 2.81Å; S228-G232 PolarHBondContact O-N 3.25Å; S228-G232 VanDerWaalsContact O-N 3.08Å
229A91.8Very high89.7Confident44 Ų4469 Ų6936%0.36437%0.367SS..Hα-helixtrans-66.2-41.6175.200000111.4A224 S226 G232 Q233A224-A229 HydrophobicContact CB-CB 4.2Å; S226-A229 PolarHBondContact O-N 2.98Å; S226-A229 WeakPolarHBondContact OG-CB 3.37Å; S226-A229 PolarHBondContact OG-N 3.28Å; S226-A229 VanDerWaalsContact OG-N 3.16Å; A229-G232 PolarHBondContact O-N 3.16Å; A229-Q233 WeakPolarHBondContact O-CG 3.39Å; A229-Q233 PolarHBondContact O-N 3.34Å
230L93Very high89.9Confident7 Ų770 Ų704%0.03736%0.358CS..Hα-helixtrans-62.1-48.1177-17658.5000111.9I203 Y206 L218 A224 S226 L227 G232 Q233 C234I203-L230 HydrophobicContact CB-CD2 4.48Å; I203-L230 HydrophobicContact CG1-CD2 4.49Å; I203-L230 HydrophobicContact CG2-CD2 4.11Å; Y206-L230 HydrophobicContact CD1-CD2 3.52Å; Y206-L230 HydrophobicContact CD1-CG 3.92Å; Y206-L230 HydrophobicContact CE1-CD2 4.19Å; Y206-L230 HydrophobicContact CE1-CG 4.08Å; Y206-L230 HydrophobicContact CG-CD2 4.34Å; L218-L230 HydrophobicContact CD1-CD1 4.21Å; L218-L230 HydrophobicContact CD2-CD1 4.02Å; A224-L230 HydrophobicContact CB-CB 3.73Å; A224-L230 HydrophobicContact CB-CD1 4.23Å; S226-L230 PolarHBondContact O-N 3.14Å; S226-L230 VanDerWaalsContact O-N 3.14Å; L227-L230 PolarHBondContact O-N 3.29Å; L230-G232 VanDerWaalsContact C-N 3.28Å; L230-G232 PolarHBondContact O-N 2.99Å; L230-Q233 WeakPolarHBondContact O-CB 3.47Å; L230-Q233 PolarHBondContact O-N 2.74Å; L230-C234 PolarHBondContact O-N 3.12Å; L230-C234 PolarHBondContact O-SG 3.1Å
231I93.5Very high90Very high16 Ų1666 Ų668%0.08234%0.341CS..Hα-helixtrans-56.8-44.4175.6-70.8165.8000110.4Q189 Y206 L227 Q233 C234 I235Q189-I231 HydrophobicContact CG-CD1 4.22Å; Y206-I231 HydrophobicContact CE1-CG1 4.28Å; Y206-I231 HydrophobicContact CE2-CD1 4.39Å; Y206-I231 HydrophobicContact CE2-CG1 3.87Å; L227-I231 HydrophobicContact CD1-CD1 4.33Å; L227-I231 HydrophobicContact CG-CD1 3.97Å; L227-I231 WeakPolarHBondContact O-CG1 3.46Å; L227-I231 PolarHBondContact O-N 3.01Å; I231-Q233 PolarHBondContact O-N 3.37Å; I231-C234 PolarHBondContact O-N 2.94Å; I231-I235 HydrophobicContact CG2-CD1 3.76Å; I231-I235 HydrophobicContact CG2-CG1 4.47Å; I231-I235 WeakPolarHBondContact O-CG1 3.46Å; I231-I235 PolarHBondContact O-N 3.14Å
232G91.8Very high90Very high40 Ų4065.4 Ų65.441%0.41235%0.346SS..Hα-helixtrans-59.7-44.417600000113.7S228 A229 L230 H236S228-G232 PolarHBondContact O-N 3.25Å; S228-G232 VanDerWaalsContact O-N 3.08Å; A229-G232 PolarHBondContact O-N 3.16Å; L230-G232 VanDerWaalsContact C-N 3.28Å; L230-G232 PolarHBondContact O-N 2.99Å; G232-H236 PolarHBondContact O-N 2.76Å; G232-H236 VanDerWaalsContact O-N 3.11Å
233Q92.9Very high90Very high54 Ų5466.3 Ų66.325%0.25234%0.342SS..Hα-helixtrans-60.8-47174.3-71.8174.2-12.100111.4L218 E222 A229 L230 I231 I235 H236 I237L218-Q233 HydrophobicContact CD2-CB 4.12Å; E222-Q233 PolarHBondContact O-NE2 2.87Å; A229-Q233 WeakPolarHBondContact O-CG 3.39Å; A229-Q233 PolarHBondContact O-N 3.34Å; L230-Q233 WeakPolarHBondContact O-CB 3.47Å; L230-Q233 PolarHBondContact O-N 2.74Å; I231-Q233 PolarHBondContact O-N 3.37Å; Q233-I235 PolarHBondContact O-N 3.42Å; Q233-H236 WeakPolarHBondContact O-CB 3.44Å; Q233-H236 PolarHBondContact O-N 3.48Å; Q233-H236 VanDerWaalsContact O-N 3.13Å; Q233-I237 WeakPolarHBondContact O-CG1 3.43Å; Q233-I237 PolarHBondContact O-N 2.88Å
234C93.4Very high90.1Very high0 Ų062.6 Ų62.60%033%0.325CS..Hα-helixtrans-60.7-45.4-179.5-62.40000112.2V181 L210 I214 L230 I231 H236 I237 E238V181-C234 HydrophobicContact CG1-CB 3.48Å; V181-C234 VanDerWaalsContact CG1-CB 3.48Å; V181-C234 HydrophobicContact CG2-CB 4.32Å; L210-C234 VanDerWaalsContact CD1-SG 3.55Å; I214-C234 HydrophobicContact CG2-CB 4.27Å; L230-C234 PolarHBondContact O-N 3.12Å; L230-C234 PolarHBondContact O-SG 3.1Å; I231-C234 PolarHBondContact O-N 2.94Å; C234-H236 VanDerWaalsContact C-N 3.27Å; C234-H236 PolarHBondContact O-N 3.27Å; C234-I237 PolarHBondContact O-N 3.04Å; C234-E238 PolarHBondContact O-N 3.05Å
235I92.8Very high89.9Confident32 Ų3264.9 Ų64.916%0.16434%0.344CS..Hα-helixtrans-63.7-35.2177-66.3168.9000110.8V181 I182 I231 Q233 R239V181-I235 HydrophobicContact CB-CG1 4.27Å; V181-I235 HydrophobicContact CG1-CG1 3.67Å; I182-I235 HydrophobicContact CG1-CD1 3.91Å; I182-I235 HydrophobicContact CG1-CG1 3.99Å; I231-I235 HydrophobicContact CG2-CD1 3.76Å; I231-I235 HydrophobicContact CG2-CG1 4.47Å; I231-I235 WeakPolarHBondContact O-CG1 3.46Å; I231-I235 PolarHBondContact O-N 3.14Å; Q233-I235 PolarHBondContact O-N 3.42Å; I235-R239 WeakPolarHBondContact O-CB 3.12Å; I235-R239 VanDerWaalsContact O-CG 3.24Å; I235-R239 WeakPolarHBondContact O-CG 3.38Å; I235-R239 PolarHBondContact O-N 2.83Å; I235-R239 VanDerWaalsContact O-N 3.1Å
236H91.4Very high89.5Confident125 Ų12558.8 Ų58.858%0.57933%0.329SS*.Hα-helixtrans-68.3-42.9175.7-167.395.4000112.1G232 Q233 C234 R239 R240G232-H236 PolarHBondContact O-N 2.76Å; G232-H236 VanDerWaalsContact O-N 3.11Å; Q233-H236 WeakPolarHBondContact O-CB 3.44Å; Q233-H236 PolarHBondContact O-N 3.48Å; Q233-H236 VanDerWaalsContact O-N 3.13Å; C234-H236 VanDerWaalsContact C-N 3.27Å; C234-H236 PolarHBondContact O-N 3.27Å; H236-R239 PolarHBondContact O-N 3.38Å; H236-R240 WeakPolarHBondContact O-CB 3.4Å; H236-R240 PolarHBondContact O-N 2.86Å
237I92.1Very high88.8Confident2 Ų261.7 Ų61.71%0.0136%0.355CS..Hα-helixtrans-60.4-49.6175.2-69.2165.6000110.4I214 E217 L218 L221 Q233 C234 R239 R240 L241I214-I237 HydrophobicContact CG1-CG2 4.27Å; I214-I237 HydrophobicContact CG2-CG2 4.32Å; E217-I237 HydrophobicContact CB-CD1 4.13Å; E217-I237 HydrophobicContact CB-CG1 4.4Å; E217-I237 HydrophobicContact CB-CG2 3.66Å; E217-I237 HydrophobicContact CG-CG2 4.09Å; L218-I237 HydrophobicContact CD2-CD1 3.61Å; L218-I237 HydrophobicContact CG-CD1 3.7Å; L221-I237 HydrophobicContact CD1-CD1 3.97Å; Q233-I237 WeakPolarHBondContact O-CG1 3.43Å; Q233-I237 PolarHBondContact O-N 2.88Å; C234-I237 PolarHBondContact O-N 3.04Å; I237-R239 VanDerWaalsContact C-N 3.34Å; I237-R239 PolarHBondContact O-N 3.13Å; I237-R240 WeakPolarHBondContact O-CA 3.43Å; I237-R240 WeakPolarHBondContact O-CB 3.46Å; I237-R240 PolarHBondContact O-N 3.02Å; I237-L241 HydrophobicContact CG2-CD1 3.83Å; I237-L241 HydrophobicContact CG2-CG 4.26Å; I237-L241 WeakPolarHBondContact O-CG 3.31Å; I237-L241 PolarHBondContact O-N 3.11Å
238E92Very high87.9Confident45 Ų4571.3 Ų71.321%0.2139%0.39CS..Hα-helixtrans-56.5-46.4177.7-177.9-179.3-115.600111.7S180 V181 I214 C234 R240 L241 A242S180-E238 VanDerWaalsContact CA-OE1 3.24Å; S180-E238 WeakPolarHBondContact CA-OE1 3.38Å; V181-E238 HydrophobicContact CG2-CB 3.9Å; V181-E238 HydrophobicContact CG2-CG 4.3Å; V181-E238 PolarHBondContact N-OE1 2.61Å; I214-E238 HydrophobicContact CD1-CB 4.36Å; C234-E238 PolarHBondContact O-N 3.05Å; E238-R240 VanDerWaalsContact C-N 3.32Å; E238-R240 PolarHBondContact O-N 2.79Å; E238-L241 PolarHBondContact O-N 2.84Å; E238-A242 VanDerWaalsContact O-CB 3.3Å; E238-A242 WeakPolarHBondContact O-CB 3.34Å; E238-A242 PolarHBondContact O-N 3.17Å
239R90.6Very high86.1Confident150 Ų15075.4 Ų75.457%0.56640%0.397SS*.Hα-helixtrans-62.4-36.3175.5-72.1171.3-178.9-175.82.2112.6I235 H236 I237 R243I235-R239 WeakPolarHBondContact O-CB 3.12Å; I235-R239 VanDerWaalsContact O-CG 3.24Å; I235-R239 WeakPolarHBondContact O-CG 3.38Å; I235-R239 PolarHBondContact O-N 2.83Å; I235-R239 VanDerWaalsContact O-N 3.1Å; H236-R239 PolarHBondContact O-N 3.38Å; I237-R239 VanDerWaalsContact C-N 3.34Å; I237-R239 PolarHBondContact O-N 3.13Å; R239-R243 WeakPolarHBondContact O-CD 3.37Å; R239-R243 VanDerWaalsContact O-CG 3.24Å; R239-R243 WeakPolarHBondContact O-CG 3.42Å; R239-R243 PolarHBondContact O-N 3.43Å; R239-R243 VanDerWaalsContact O-N 3.16Å
240R89.9Confident84.3Confident106 Ų10679.1 Ų79.140%0.442%0.417SS..Hα-helixtrans-66.5-48.7175.7-179170.973.9-160.83.1111.1E217 H236 I237 E238 R243 A244E217-R240 IonicContact OE2-CZ 3.61Å; E217-R240 IonicContact OE2-NE 2.7Å; E217-R240 IonicContact OE2-NH2 3.49Å; E217-R240 PolarHBondContact OE2-NH2 3.3Å; H236-R240 WeakPolarHBondContact O-CB 3.4Å; H236-R240 PolarHBondContact O-N 2.86Å; I237-R240 WeakPolarHBondContact O-CA 3.43Å; I237-R240 WeakPolarHBondContact O-CB 3.46Å; I237-R240 PolarHBondContact O-N 3.02Å; E238-R240 VanDerWaalsContact C-N 3.32Å; E238-R240 PolarHBondContact O-N 2.79Å; R240-R243 PolarHBondContact O-N 2.9Å; R240-A244 PolarHBondContact O-N 3.49Å
241L87.7Confident82Confident52 Ų5290.1 Ų90.127%0.27246%0.458SS..Hα-helixtrans-62.9-43.3178.1-67.8175000111.7E217 I237 E238 R243 A244 A245E217-L241 HydrophobicContact CG-CD2 4.5Å; I237-L241 HydrophobicContact CG2-CD1 3.83Å; I237-L241 HydrophobicContact CG2-CG 4.26Å; I237-L241 WeakPolarHBondContact O-CG 3.31Å; I237-L241 PolarHBondContact O-N 3.11Å; E238-L241 PolarHBondContact O-N 2.84Å; L241-R243 VanDerWaalsContact C-N 3.35Å; L241-R243 PolarHBondContact O-N 3.44Å; L241-A244 PolarHBondContact O-N 3.49Å; L241-A245 WeakPolarHBondContact O-CB 3.4Å; L241-A245 PolarHBondContact O-N 3.09Å
242A86.1Confident79.9Confident60 Ų6094.7 Ų94.750%0.49649%0.492SS..Hα-helixtrans-60.9-40.5176.200000112.6E238 A245 A246E238-A242 VanDerWaalsContact O-CB 3.3Å; E238-A242 WeakPolarHBondContact O-CB 3.34Å; E238-A242 PolarHBondContact O-N 3.17Å; A242-A245 PolarHBondContact O-N 2.76Å; A242-A246 WeakPolarHBondContact O-CB 3.45Å; A242-A246 PolarHBondContact O-N 2.66Å
243R85.3Confident78.1Confident194 Ų19498.3 Ų98.373%0.73251%0.508SS*.Hα-helixtrans-64.5-43.7173.9-73.4170-178.3-1690.4112R239 R240 L241 A246 A247R239-R243 WeakPolarHBondContact O-CD 3.37Å; R239-R243 VanDerWaalsContact O-CG 3.24Å; R239-R243 WeakPolarHBondContact O-CG 3.42Å; R239-R243 PolarHBondContact O-N 3.43Å; R239-R243 VanDerWaalsContact O-N 3.16Å; R240-R243 PolarHBondContact O-N 2.9Å; L241-R243 VanDerWaalsContact C-N 3.35Å; L241-R243 PolarHBondContact O-N 3.44Å; R243-A246 PolarHBondContact O-N 3.16Å; R243-A247 WeakPolarHBondContact O-CB 3.36Å; R243-A247 PolarHBondContact O-N 3.45Å
244A83.8Confident75.8Confident51 Ų51102 Ų10242%0.42154%0.537SS..Hα-helixtrans-64.2-39.6176.700000112.3R240 L241 A247 R248R240-A244 PolarHBondContact O-N 3.49Å; L241-A244 PolarHBondContact O-N 3.49Å; A244-A247 PolarHBondContact O-N 2.82Å; A244-R248 WeakPolarHBondContact O-CG 3.25Å; A244-R248 PolarHBondContact O-N 2.88Å
245A81.9Confident73.2Confident59 Ų59113.6 Ų113.649%0.48858%0.581SS.*Hα-helixtrans-67.5-39.7174.800000112.5L241 A242 R248L241-A245 WeakPolarHBondContact O-CB 3.4Å; L241-A245 PolarHBondContact O-N 3.09Å; A242-A245 PolarHBondContact O-N 2.76Å; A245-R248 PolarHBondContact O-N 2.84Å
246A77.9Confident70.7Confident66 Ų66116.3 Ų116.355%0.54561%0.608SS.*Hα-helixtrans-63.9-40.7174.500000112A242 R243 R248 K249A242-A246 WeakPolarHBondContact O-CB 3.45Å; A242-A246 PolarHBondContact O-N 2.66Å; R243-A246 PolarHBondContact O-N 3.16Å; A246-R248 PolarHBondContact O-N 3.45Å; A246-K249 PolarHBondContact O-N 3Å
247A75.6Confident68Low88 Ų88118.9 Ų118.973%0.72763%0.625SS**Hα-helixtrans-65.7-21.6174.400000113.6R243 A244R243-A247 WeakPolarHBondContact O-CB 3.36Å; R243-A247 PolarHBondContact O-N 3.45Å; A244-A247 PolarHBondContact O-N 2.82Å
248R70.7Confident65.1Low220 Ų220124.6 Ų124.683%0.8366%0.66SS**THydrogen-bonded Turntrans-84.6-6.2175.9-78.8178.7168.9177.8-2.1114.6A244 A245 A246 P250A244-R248 WeakPolarHBondContact O-CG 3.25Å; A244-R248 PolarHBondContact O-N 2.88Å; A245-R248 PolarHBondContact O-N 2.84Å; A246-R248 PolarHBondContact O-N 3.45Å; R248-P250 WeakPolarHBondContact O-CD 3.33Å
249K55.3Low62.1Low172 Ų172129.6 Ų129.675%0.74869%0.687SS**PPolyproline II helixtrans-78.4117.6175.1-77.7-172.7175.4179.90111.1A246A246-K249 PolarHBondContact O-N 3Å
250P53.4Low59.7Low122 Ų122127.3 Ų127.379%0.79269%0.692SS**PPolyproline II helixtrans-69.5145.317329.2-33.9000111.3R248R248-P250 WeakPolarHBondContact O-CD 3.33Å
251R44.2Very low56.9Low238 Ų238130.5 Ų130.590%0.89871%0.711SS**SBendtrans-76.9131.7174.7-71.8172.277.6132.9-4.3110.5
252S49.5Very low54.1Low112 Ų112135.2 Ų135.278%0.78374%0.735SS**  trans67.1145.7166.336.90000119.2
253P54.8Low51.3Low116 Ų116137 Ų13775%0.75375%0.749SS**  trans-98.6157.8-177.738.9-34.8000113.6
254P44.2Very low48.7Very low133 Ų133132.7 Ų132.786%0.86475%0.749SS**  trans-84.8157.4158.834.4-30.6000111.5
255R37.4Very low46.1Very low242 Ų242138.8 Ų138.891%0.91377%0.768SS**  trans-115.6123.1-165.6-167.5-177.9-168.7177.73.1111.2
256A40.6Very low43.7Very low89 Ų89142.7 Ų142.774%0.73678%0.776SS**  trans52.5137.7156.100000121.2
257L34.3Very low41.2Very low179 Ų179147.5 Ų147.594%0.93779%0.787SS**  -162.6173.3119-97.9172.2000109.4
258V31.9Very low39Very low122 Ų122149.7 Ų149.774%0.73979%0.791SS**  trans-138.5141.2-144111.30000115.3
259L29.7Very low36.9Very low151 Ų151146.2 Ų146.279%0.79179%0.789SS**  trans63.1166.9162.7-91.178.2000119.6
260P40.8Very low35.8Very low102 Ų102143.2 Ų143.266%0.66279%0.787SS**  cis-140.6162-37.638.3-21.3000117.3
261H29.4Very low34.7Very low173 Ų173143.7 Ų143.780%0.80179%0.788SS**  trans65136.1144.4-102.2-35.9000126.3
262I29.6Very low34.2Very low150 Ų150140.9 Ų140.977%0.76979%0.786SS**  trans74.4110.4148.1-56159.1000119.2
263A27.8Very low34Very low97 Ų97140.2 Ų140.280%0.80278%0.779SS**  -178.8154.8115.900000111.2
264S29.6Very low32.9Very low104 Ų104141.7 Ų141.773%0.72779%0.785SS**  trans-87.5153.9176.950.80000112.8
265H30.6Very low32.1Very low179 Ų179138.8 Ų138.883%0.82978%0.78SS**  -163165.7128.3-121.6-92.3000114.3
266H29.8Very low31.7Very low141 Ų141131.2 Ų131.265%0.65378%0.777SS**  trans-79.7152.3-164.5-88.5-115.2000118
267Q26.7Very low31.1Very low167 Ų167131.6 Ų131.678%0.7878%0.78SS**  trans65.5157.6141.2-67.2168.8-16.600117.8
268V27.9Very low31.2Very low134 Ų134135.4 Ų135.481%0.81278%0.781SS**  cis-140.9163.228.7176.40000112.1
269D26.5Very low31.4Very low147 Ų147137.6 Ų137.679%0.78679%0.786SS**  trans-55.8161.8174.2-109.2-23.3000116.9
270P33.3Very low32.2Very low109 Ų109142 Ų14271%0.70879%0.792SS**  trans-93.4161168.237.8-30.7000113.2
271T29.4Very low33.1Very low132 Ų132139.7 Ų139.781%0.8177%0.774SS**  trans-134.896.4177.7-51.20000112.7
272E33.6Very low35.2Very low180 Ų180134.8 Ų134.884%0.84176%0.756SS**  56.9161.4123.5-77.9-99.9119.400122.6
273P47.1Very low36.8Very low98 Ų98132.1 Ų132.164%0.63674%0.74SS**  trans-138.1-165.5-140.146.6-29.5000115.9
274V31.8Very low38.8Very low146 Ų146133.8 Ų133.889%0.88573%0.732SS**  trans-143.6144.7153.5-176.60000106.9
275G27.4Very low41Very low73 Ų73130.9 Ų130.975%0.75371%0.706SS**  cis138.8136.3-2.600000111.1
276G28.2Very low43.1Very low83 Ų83125.8 Ų125.886%0.85668%0.682SS**  cis177.5153.52.100000112.9
277A28.4Very low45.2Very low96 Ų96124.1 Ų124.179%0.79367%0.674SS**  trans-156.993.2173.200000112.7M279A277-M279 PolarHBondContact O-N 3.18Å
278R34.8Very low47.9Very low259 Ų259121.9 Ų121.998%0.97766%0.659SS**  trans27.578.1160.1-61.5-178.6-177.1167.12.5118
279M37.7Very low50.4Low169 Ų169117.6 Ų117.683%0.83363%0.628SS**PPolyproline II helixtrans-73.1147.2163.4-77.817865.400112.8A277 L281A277-M279 PolarHBondContact O-N 3.18Å; M279-L281 PolarHBondContact O-N 3.22Å
280R45Very low52.7Low242 Ų242117.1 Ų117.191%0.91362%0.615SS**PPolyproline II helixtrans-72.8120.2169.1-154.3177.9-169.6-171.42.8108T282R280-T282 PolarHBondContact O-N 2.88Å
281L59.9Low54.9Low54 Ų54120.6 Ų120.628%0.28362%0.619SS.*PPolyproline II helixtrans-53.4128.7-176.5-67.3162.2000111.5M279 E285 K286 L296M279-L281 PolarHBondContact O-N 3.22Å; L281-E285 HydrophobicContact CD2-CG 3.64Å; L281-K286 HydrophobicContact CB-CG 4.21Å; L281-K286 WeakPolarHBondContact O-CE 3.41Å; L281-L296 WeakPolarHBondContact CD1-O 3.4Å
282T74.3Confident57Low70 Ų70119 Ų11943%0.42961%0.605SS.*PPolyproline II helixtrans-66.5166.9175.877.20000110.8R280 E284 E285 K286R280-T282 PolarHBondContact O-N 2.88Å; T282-E284 VanDerWaalsContact C-N 3.32Å; T282-E284 WeakPolarHBondContact CB-OE2 3.35Å; T282-E284 PolarHBondContact O-N 2.77Å; T282-E284 PolarHBondContact OG1-OE2 3.08Å; T282-E285 PolarHBondContact O-N 3.04Å; T282-E285 PolarHBondContact OG1-N 3.36Å; T282-K286 WeakPolarHBondContact O-CG 3.39Å; T282-K286 PolarHBondContact O-N 3.06Å; T282-K286 VanDerWaalsContact O-N 3.15Å
283Q62.9Low59Low95 Ų95115.6 Ų115.644%0.44459%0.593SS.*Hα-helixtrans-69.8-35.1-174.6-166.667.2-0.100111.5K286 E287Q283-K286 PolarHBondContact O-N 3.26Å; Q283-E287 PolarHBondContact O-N 3.29Å; Q283-E287 VanDerWaalsContact O-N 3.07Å
284E70.9Confident60.4Low132 Ų132113.2 Ų113.262%0.61758%0.575SS**Hα-helixtrans-63.6-44.2176.7-51.170.4-149.900110.6T282 K286 E287 R288T282-E284 VanDerWaalsContact C-N 3.32Å; T282-E284 WeakPolarHBondContact CB-OE2 3.35Å; T282-E284 PolarHBondContact O-N 2.77Å; T282-E284 PolarHBondContact OG1-OE2 3.08Å; E284-K286 PolarHBondContact O-N 2.8Å; E284-E287 PolarHBondContact O-N 3.05Å; E284-E287 VanDerWaalsContact O-N 3.15Å; E284-R288 PolarHBondContact O-N 3.14Å
285E75.3Confident62.8Low42 Ų42106.3 Ų106.320%0.19653%0.533CS..Hα-helixtrans-70.2-32178.4177.661.5-178.100112.2L281 T282 E287 R288 R289L281-E285 HydrophobicContact CD2-CG 3.64Å; T282-E285 PolarHBondContact O-N 3.04Å; T282-E285 PolarHBondContact OG1-N 3.36Å; E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 3.28Å; E285-R288 IonicContact OE1-CZ 2.86Å; E285-R288 IonicContact OE1-NE 3.16Å; E285-R288 IonicContact OE1-NH2 3.36Å; E285-R288 PolarHBondContact OE1-NH2 2.87Å; E285-R288 IonicContact OE2-CZ 3.24Å; E285-R288 IonicContact OE2-NE 3.77Å; E285-R288 PolarHBondContact OE2-NE 2.72Å; E285-R288 IonicContact OE2-NH2 2.72Å; E285-R288 PolarHBondContact OE2-NH2 3.22Å; E285-R288 VanDerWaalsContact OE2-NH2 3.16Å; E285-R289 WeakPolarHBondContact O-CB 3.42Å; E285-R289 VanDerWaalsContact O-CG 3.31Å; E285-R289 WeakPolarHBondContact O-CG 3.49Å; E285-R289 PolarHBondContact O-N 3.42Å; E285-R289 IonicContact OE1-CZ 2.62Å; E285-R289 VanDerWaalsContact OE1-CZ 3.24Å; E285-R289 IonicContact OE1-NE 3.45Å; E285-R289 PolarHBondContact OE1-NE 3.15Å; E285-R289 IonicContact OE1-NH2 4Å; E285-R289 PolarHBondContact OE1-NH2 3.01Å
286K74.8Confident65.1Low73 Ų73106.2 Ų106.232%0.31752%0.515SS..Hα-helixtrans-65.9-32.6170-68176.2-153.4154.20112.3L281 T282 Q283 E284 R290 L296L281-K286 HydrophobicContact CB-CG 4.21Å; L281-K286 WeakPolarHBondContact O-CE 3.41Å; T282-K286 WeakPolarHBondContact O-CG 3.39Å; T282-K286 PolarHBondContact O-N 3.06Å; T282-K286 VanDerWaalsContact O-N 3.15Å; Q283-K286 PolarHBondContact O-N 3.26Å; E284-K286 PolarHBondContact O-N 2.8Å; K286-R290 WeakPolarHBondContact O-CB 3.25Å; K286-R290 VanDerWaalsContact O-CG 3.31Å; K286-R290 WeakPolarHBondContact O-CG 3.37Å; K286-R290 PolarHBondContact O-N 3.29Å; K286-R290 PolarHBondContact O-NE 2.82Å; K286-L296 HydrophobicContact CB-CD2 4.34Å; K286-L296 HydrophobicContact CG-CD2 4.42Å
287E73.9Confident67.1Low105 Ų105108.6 Ų108.649%0.49150%0.498SS..Hα-helixtrans-75.9-41.8177-75.6175.5-170.300111.5Q283 E284 E285 R289 R290 K291Q283-E287 PolarHBondContact O-N 3.29Å; Q283-E287 VanDerWaalsContact O-N 3.07Å; E284-E287 PolarHBondContact O-N 3.05Å; E284-E287 VanDerWaalsContact O-N 3.15Å; E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 3.28Å; E287-R289 PolarHBondContact O-N 3.47Å; E287-R290 PolarHBondContact O-N 2.86Å; E287-R290 IonicContact OE1-NH2 3.49Å; E287-R290 PolarHBondContact OE1-NH2 2.87Å; E287-K291 WeakPolarHBondContact O-CB 3.29Å; E287-K291 PolarHBondContact O-N 2.88Å
288R82.7Confident69.5Low120 Ų120106.4 Ų106.445%0.45348%0.477SS..Hα-helixtrans-58.4-46.1171.3-162.4-171.96891.13.7111.8E284 E285 K291 L292E284-R288 PolarHBondContact O-N 3.14Å; E285-R288 IonicContact OE1-CZ 2.86Å; E285-R288 IonicContact OE1-NE 3.16Å; E285-R288 IonicContact OE1-NH2 3.36Å; E285-R288 PolarHBondContact OE1-NH2 2.87Å; E285-R288 IonicContact OE2-CZ 3.24Å; E285-R288 IonicContact OE2-NE 3.77Å; E285-R288 PolarHBondContact OE2-NE 2.72Å; E285-R288 IonicContact OE2-NH2 2.72Å; E285-R288 PolarHBondContact OE2-NH2 3.22Å; E285-R288 VanDerWaalsContact OE2-NH2 3.16Å; R288-K291 PolarHBondContact O-N 2.84Å; R288-L292 HydrophobicContact CG-CD1 4.07Å; R288-L292 WeakPolarHBondContact O-CB 2.97Å; R288-L292 WeakPolarHBondContact O-CG 3.22Å; R288-L292 PolarHBondContact O-N 2.8Å
289R80.6Confident71.2Confident44 Ų4495.2 Ų95.217%0.16644%0.442CS..Hα-helixtrans-65.6-38.6177.1-72.8-178.5-168.1-152-0.5113.2E285 E287 L292 N293 L294 L296E285-R289 WeakPolarHBondContact O-CB 3.42Å; E285-R289 VanDerWaalsContact O-CG 3.31Å; E285-R289 WeakPolarHBondContact O-CG 3.49Å; E285-R289 PolarHBondContact O-N 3.42Å; E285-R289 IonicContact OE1-CZ 2.62Å; E285-R289 VanDerWaalsContact OE1-CZ 3.24Å; E285-R289 IonicContact OE1-NE 3.45Å; E285-R289 PolarHBondContact OE1-NE 3.15Å; E285-R289 IonicContact OE1-NH2 4Å; E285-R289 PolarHBondContact OE1-NH2 3.01Å; E287-R289 PolarHBondContact O-N 3.47Å; R289-L292 PolarHBondContact O-N 2.96Å; R289-N293 PolarHBondContact O-N 3.34Å; R289-N293 VanDerWaalsContact O-N 3.12Å; R289-L294 HydrophobicContact CB-CB 4.21Å; R289-L294 HydrophobicContact CG-CB 4.22Å; R289-L294 PolarHBondContact O-N 3.39Å; R289-L296 HydrophobicContact CB-CD2 3.84Å
290R75.9Confident72.9Confident138 Ų13891 Ų9152%0.52143%0.426SS..Hα-helixtrans-62.6-43.4171.6-80.3-177.2-73.6173.90.6111.9K286 E287 L292 N293K286-R290 WeakPolarHBondContact O-CB 3.25Å; K286-R290 VanDerWaalsContact O-CG 3.31Å; K286-R290 WeakPolarHBondContact O-CG 3.37Å; K286-R290 PolarHBondContact O-N 3.29Å; K286-R290 PolarHBondContact O-NE 2.82Å; E287-R290 PolarHBondContact O-N 2.86Å; E287-R290 IonicContact OE1-NH2 3.49Å; E287-R290 PolarHBondContact OE1-NH2 2.87Å; R290-L292 VanDerWaalsContact C-N 3.27Å; R290-L292 PolarHBondContact O-N 3.33Å; R290-N293 PolarHBondContact O-N 3.36Å
291K78.3Confident74.3Confident182 Ų18281.5 Ų81.579%0.79140%0.404SS*.Hα-helixtrans-67.3-25179.3-166.1172.7-177.4178.30113.5E287 R288E287-K291 WeakPolarHBondContact O-CB 3.29Å; E287-K291 PolarHBondContact O-N 2.88Å; R288-K291 PolarHBondContact O-N 2.84Å
292L74.8Confident74.7Confident97 Ų9783 Ų8351%0.50843%0.432SS..THydrogen-bonded Turntrans-104.28.4179.6-63.3175.4000114.1R288 R289 R290 L294R288-L292 HydrophobicContact CG-CD1 4.07Å; R288-L292 WeakPolarHBondContact O-CB 2.97Å; R288-L292 WeakPolarHBondContact O-CG 3.22Å; R288-L292 PolarHBondContact O-N 2.8Å; R289-L292 PolarHBondContact O-N 2.96Å; R290-L292 VanDerWaalsContact C-N 3.27Å; R290-L292 PolarHBondContact O-N 3.33Å; L292-L294 VanDerWaalsContact C-N 3.28Å; L292-L294 HydrophobicContact CB-CD1 4.04Å; L292-L294 HydrophobicContact CB-CG 3.95Å; L292-L294 HydrophobicContact CD1-CD1 4.43Å; L292-L294 PolarHBondContact O-N 3.49Å
293N74.5Confident74.9Confident110 Ų11081.6 Ų81.659%0.58842%0.42SS*.THydrogen-bonded Turntrans51.841.3-177.1-68.8-47.1000114.2R289 R290R289-N293 PolarHBondContact O-N 3.34Å; R289-N293 VanDerWaalsContact O-N 3.12Å; R290-N293 PolarHBondContact O-N 3.36Å
294L77.4Confident75.4Confident48 Ų4885.1 Ų85.125%0.25143%0.431SS..BIsolated β-bridgetrans-101.1139.5178.5-59.5178.6000111.3R289 L292 L296R289-L294 HydrophobicContact CB-CB 4.21Å; R289-L294 HydrophobicContact CG-CB 4.22Å; R289-L294 PolarHBondContact O-N 3.39Å; L292-L294 VanDerWaalsContact C-N 3.28Å; L292-L294 HydrophobicContact CB-CD1 4.04Å; L292-L294 HydrophobicContact CB-CG 3.95Å; L292-L294 HydrophobicContact CD1-CD1 4.43Å; L292-L294 PolarHBondContact O-N 3.49Å; L294-L296 PolarHBondContact O-N 2.95Å
295C81Confident75.1Confident1 Ų179.8 Ų79.81%0.00741%0.409CS..  trans-59.2126.2179.6177.50000111.7Y297 G299 T300 H303C295-Y297 PolarHBondContact O-N 2.88Å; C295-Y297 VanDerWaalsContact O-N 3.13Å; C295-Y297 PolarHBondContact SG-N 2.8Å; C295-G299 VanDerWaalsContact O-CA 3.25Å; C295-G299 WeakPolarHBondContact O-CA 3.42Å; C295-G299 PolarHBondContact O-N 3.25Å; C295-T300 WeakPolarHBondContact CB-O 3.29Å; C295-T300 PolarHBondContact N-O 3.45Å; C295-H303 WeakPolarHBondContact CB-O 3.43Å; C295-H303 PolarHBondContact SG-NE2 2.99Å
296L75.4Confident74.6Confident71 Ų7184.1 Ų84.137%0.37243%0.434SS..THydrogen-bonded Turntrans-67-12.2179.6-64.3174.6000113.8L281 K286 R289 L294 A305L281-L296 WeakPolarHBondContact CD1-O 3.4Å; K286-L296 HydrophobicContact CB-CD2 4.34Å; K286-L296 HydrophobicContact CG-CD2 4.42Å; R289-L296 HydrophobicContact CB-CD2 3.84Å; L294-L296 PolarHBondContact O-N 2.95Å; L296-A305 HydrophobicContact CB-CB 4.16Å
297Y69.8Low74.1Confident132 Ų13287.1 Ų87.152%0.51845%0.454SS..THydrogen-bonded Turntrans-93.9-55.6176.8-172.5-96.4000112.6C295 C308 A310 K311C295-Y297 PolarHBondContact O-N 2.88Å; C295-Y297 VanDerWaalsContact O-N 3.13Å; C295-Y297 PolarHBondContact SG-N 2.8Å; Y297-C308 HydrophobicContact CD1-CB 4.39Å; Y297-C308 VanDerWaalsContact CD1-SG 3.59Å; Y297-A310 HydrophobicContact CD1-CB 4.14Å; Y297-A310 HydrophobicContact CE1-CB 3.81Å; Y297-K311 HydrophobicContact CE1-CG 4.36Å; Y297-K311 HydrophobicContact CE2-CG 4.38Å
298C78.8Confident73.9Confident51 Ų5182.4 Ų82.435%0.34543%0.432SS..THydrogen-bonded Turntrans-108-7-173.763.70000115T300 H303C298-T300 VanDerWaalsContact C-N 3.29Å; C298-T300 PolarHBondContact O-N 3.12Å; C298-T300 PolarHBondContact SG-OG1 3.41Å; C298-H303 VanDerWaalsContact SG-CE1 3.52Å; C298-H303 PolarHBondContact SG-NE2 2.92Å
299G71.8Confident72.9Confident23 Ų2381.4 Ų81.424%0.23744%0.441CS..  trans77.8-1.6177.300000116.3C295C295-G299 VanDerWaalsContact O-CA 3.25Å; C295-G299 WeakPolarHBondContact O-CA 3.42Å; C295-G299 PolarHBondContact O-N 3.25Å
300T73.1Confident72.1Confident81 Ų8182.2 Ų82.250%0.49746%0.457SS..  trans-91154.1176.958.50000112.3C295 C298 H303C295-T300 WeakPolarHBondContact CB-O 3.29Å; C295-T300 PolarHBondContact N-O 3.45Å; C298-T300 VanDerWaalsContact C-N 3.29Å; C298-T300 PolarHBondContact O-N 3.12Å; C298-T300 PolarHBondContact SG-OG1 3.41Å; T300-H303 PolarHBondContact OG1-CE1 3.37Å
301G73.9Confident71.2Confident43 Ų4380.9 Ų80.944%0.44346%0.455SS..BIsolated β-bridgetrans-78.8171-179.700000114
302G68.6Low69.7Low85 Ų8576.4 Ų76.488%0.87645%0.452SS*.SBendtrans87.5-0.6170.600000116.3
303H79.4Confident68Low41 Ų4176.1 Ų76.119%0.1946%0.458CS..SBendtrans-154.9158173.466.8-80.1000112.4C295 C298 T300 C308C295-H303 WeakPolarHBondContact CB-O 3.43Å; C295-H303 PolarHBondContact SG-NE2 2.99Å; C298-H303 VanDerWaalsContact SG-CE1 3.52Å; C298-H303 PolarHBondContact SG-NE2 2.92Å; T300-H303 PolarHBondContact OG1-CE1 3.37Å; H303-C308 PolarHBondContact NE2-SG 3.34Å; H303-C308 VanDerWaalsContact NE2-SG 3.43Å
304Y72Confident66.2Low168 Ų16880.7 Ų80.766%0.65947%0.473SS*.  trans-93.3161173.9-63.2-76000111.6D306 N307 C308Y304-D306 PolarHBondContact O-N 3.35Å; Y304-N307 CarbonylContact O-C 3.54Å; Y304-N307 PolarHBondContact O-N 3.47Å; Y304-C308 PolarHBondContact O-N 2.91Å
305A66.3Low63.8Low21 Ų2184.2 Ų84.217%0.17450%0.502CS..G310 helixtrans-62.1-15.4-17100000115.2L296 K311L296-A305 HydrophobicContact CB-CB 4.16Å; A305-K311 WeakPolarHBondContact O-CE 3.34Å; A305-K311 PolarHBondContact O-NZ 2.89Å
306D64.5Low61.8Low133 Ų13389.6 Ų89.671%0.71154%0.539SS*.G310 helixtrans-83.9-29.8178.6-54.2-44.8000112.1Y304 K311Y304-D306 PolarHBondContact O-N 3.35Å; D306-K311 IonicContact OD1-NZ 2.82Å
307N63.4Low60.2Low136 Ų13692.6 Ų92.673%0.72756%0.563SS**G310 helixtrans-102.528.5174.3-67.1-5.6000112Y304 P309Y304-N307 CarbonylContact O-C 3.54Å; Y304-N307 PolarHBondContact O-N 3.47Å; N307-P309 WeakPolarHBondContact O-CD 3.39Å
308C69.1Low58.3Low6 Ų690.1 Ų90.14%0.04158%0.578CS.*  trans-76.4120-176.4-1750000112Y297 H303 Y304 A310 K311Y297-C308 HydrophobicContact CD1-CB 4.39Å; Y297-C308 VanDerWaalsContact CD1-SG 3.59Å; H303-C308 PolarHBondContact NE2-SG 3.34Å; H303-C308 VanDerWaalsContact NE2-SG 3.43Å; Y304-C308 PolarHBondContact O-N 2.91Å; C308-A310 PolarHBondContact O-N 3.38Å; C308-A310 VanDerWaalsContact O-N 3.08Å; C308-K311 PolarHBondContact O-N 2.95Å
309P63Low55.8Low99 Ų9996.8 Ų96.864%0.64360%0.6SS**G310 helixtrans-57.3-29.3-179.2-25.434.7000113.5N307 K311 A312N307-P309 WeakPolarHBondContact O-CD 3.39Å; P309-K311 PolarHBondContact O-N 2.95Å; P309-A312 PolarHBondContact O-N 2.73Å
310A63Low53.6Low60 Ų60102.8 Ų102.850%0.49663%0.627SS.*G310 helixtrans-69.7-10.2178.400000114.6Y297 C308Y297-A310 HydrophobicContact CD1-CB 4.14Å; Y297-A310 HydrophobicContact CE1-CB 3.81Å; C308-A310 PolarHBondContact O-N 3.38Å; C308-A310 VanDerWaalsContact O-N 3.08Å
311K56.6Low51.8Low111 Ų111104.4 Ų104.448%0.48364%0.638SS.*G310 helixtrans-83.8-18.1171.1-85.1178.9172.6169.60113.6Y297 A305 D306 C308 P309Y297-K311 HydrophobicContact CE1-CG 4.36Å; Y297-K311 HydrophobicContact CE2-CG 4.38Å; A305-K311 WeakPolarHBondContact O-CE 3.34Å; A305-K311 PolarHBondContact O-NZ 2.89Å; D306-K311 IonicContact OD1-NZ 2.82Å; C308-K311 PolarHBondContact O-N 2.95Å; P309-K311 PolarHBondContact O-N 2.95Å
312A47.9Very low49.4Very low88 Ų88106 Ų10673%0.72766%0.655SS**  trans-99.111.1-160.600000115.7P309P309-A312 PolarHBondContact O-N 2.73Å
313S39.1Very low47.7Very low91 Ų91108.5 Ų108.564%0.63666%0.655SS**  trans-102.6120.1179.682.60000113.5
314K35.5Very low45.1Very low205 Ų205110.9 Ų110.989%0.89168%0.682SS**  trans92.884.7160.6-54-176-177.9-176.50118.1
315S28.6Very low42.9Very low123 Ų123108.8 Ų108.886%0.8669%0.687SS**  trans-122.8156141.252.80000110
316S39Very low40.9Very low114 Ų114116.7 Ų116.780%0.79772%0.72SS**  trans-76.5177.6-169.1-38.50000114.8
317P41.8Very low39.1Very low134 Ų134113.8 Ų113.887%0.8772%0.722SS**  -164.6161.89740.6-19.6000121.6
318G29.8Very low37.4Very low80 Ų80113.3 Ų113.383%0.82573%0.726SS**  trans88.8160.2142.200000121.9
319K25.2Very low35.2Very low190 Ų190118.6 Ų118.683%0.82676%0.763SS**  cis-175.5123.1-17.3-175.2177.7-176.5-176.40114.1
320L26.9Very low33.4Very low150 Ų150118.2 Ų118.279%0.78577%0.768SS**  trans62171.1153.6-68.3178000122.4
321P35.3Very low31.7Very low115 Ų115122.6 Ų122.675%0.74779%0.789SS**  cis-140.7161.4-27.434.3-14000119.2
322G22.8Very low30.1Very low77 Ų77120.6 Ų120.679%0.79480%0.8SS**  trans75.4169.5147.800000121
323P32.9Very low29.1Very low136 Ų136122.7 Ų122.788%0.88381%0.806SS**  cis-127.1-163.5-6.543.3-26.3000114.6
324A23.8Very low28.5Very low91 Ų91127.4 Ų127.475%0.75282%0.818SS**  trans-88.4173.6-176.900000115.1
325V26Very low28.2Very low125 Ų125125.1 Ų125.176%0.75881%0.814SS**  trans177.9134.1135.9147.10000112.2
326E24.4Very low28.1Very low186 Ų186127.1 Ų127.187%0.86981%0.813SS**  trans33.5140.1151.5-60.2165-175.200123.7
327G26.6Very low27.8Very low72 Ų72132.9 Ų132.974%0.74282%0.818SS**  trans-132.1152.7154.400000110.6
328P27.3Very low27.1Very low126 Ų126131.6 Ų131.682%0.81881%0.812SS**  trans-117.2152.417235.6-24.6000114.9
329S23.9Very low27.4Very low117 Ų117134.2 Ų134.282%0.81881%0.814SS**  trans25.9120.1156.2-72.80000120.6
330A25Very low27.9Very low91 Ų91133.2 Ų133.275%0.75281%0.813SS**  78.3109.155.600000115.8
331T27.6Very low28.9Very low152 Ų152132.3 Ų132.393%0.93381%0.809SS**  trans-151.4110.9143.346.70000109
332G23.3Very low29Very low70 Ų70132.9 Ų132.972%0.72281%0.806SS**  trans-139.3146.5168.100000109
333P27.3Very low29.8Very low131 Ų131133.8 Ų133.885%0.85181%0.806SS**  trans-82.1134.2-172.531.1-33.4000113.6
334E25.8Very low31Very low190 Ų190132.8 Ų132.889%0.88880%0.802SS**  trans15.7124157.7-90.2173.3137.700122
335I27.8Very low33Very low158 Ų158129.8 Ų129.881%0.8178%0.775SS**PPolyproline II helixtrans-99.9118.9163.5-63170.2000108.8R337I335-R337 PolarHBondContact O-N 2.69Å
336I26.9Very low35.3Very low164 Ų164129 Ų12984%0.84177%0.773SS**PPolyproline II helixtrans-70.7123.2168.3-62.3174.5000108.5
337R33.9Very low38.1Very low235 Ų235124 Ų12489%0.88775%0.749SS**PPolyproline II helixtrans-89.7129.4174.3-67.2-175.5178.9-167.2-0.5111.1I335I335-R337 PolarHBondContact O-N 2.69Å
338S26.8Very low40.9Very low108 Ų108121.1 Ų121.176%0.75572%0.717SS**  trans-105.1159158.845.10000109.8
339P34.9Very low43.8Very low134 Ų134117.7 Ų117.787%0.8769%0.69SS**  trans-80168.8-154.730.7-36.1000115.7
340Q37.2Very low46.8Very low170 Ų170112.6 Ų112.679%0.79465%0.654SS**  trans-73.3150.3-169.9-95.1-178.5-100.500116.3
341D46.8Very low49.8Very low130 Ų130112.8 Ų112.870%0.69564%0.64SS**  trans63.390.1147.7-57.7-29000119.6
342D37.1Very low52.9Low128 Ų128105.7 Ų105.768%0.68460%0.597SS**SBendtrans-129.7101.8144.8-94.8-41.5000109.6
343A40.4Very low56Low96 Ų96105.9 Ų105.979%0.79358%0.578SS**  trans44.1133.3166.300000119.7S345A343-S345 VanDerWaalsContact C-N 3.27Å; A343-S345 PolarHBondContact O-N 3.35Å
344S58.4Low59Low115 Ų11599.6 Ų99.680%0.80454%0.538SS*.  trans-7170.5176.762.60000113.5
345S65.1Low61.8Low28 Ų2892.6 Ų92.620%0.19651%0.505CS..  trans-55.2131.9165.3179.10000108.9A343 H347 R460A343-S345 VanDerWaalsContact C-N 3.27Å; A343-S345 PolarHBondContact O-N 3.35Å; S345-H347 PolarHBondContact O-N 3.37Å; S345-H347 PolarHBondContact OG-N 3.09Å; S345-R460 PolarHBondContact O-NH1 2.93Å; S345-R460 PolarHBondContact O-NH2 3.49Å
346P74.8Confident64.3Low109 Ų10985.5 Ų85.571%0.70847%0.469SS*.SBendtrans-71.9-18.4175.528.5-33000112.4
347H82.5Confident66.3Low81 Ų8183 Ų8338%0.37546%0.463SS..SBendtrans-81.2142.7-177.9-53.789.2000111.6S345 Q349 M367 F439S345-H347 PolarHBondContact O-N 3.37Å; S345-H347 PolarHBondContact OG-N 3.09Å; H347-Q349 PolarHBondContact O-N 3.05Å; H347-M367 HydrophobicContact CB-CG 4.2Å; H347-M367 HydrophobicContact CB-SD 3.88Å; H347-M367 VanDerWaalsContact CD2-SD 3.56Å; H347-F439 HydrophobicContact CB-CZ 4.45Å; H347-F439 AromaticContact CE1-CZ 3.79Å; H347-F439 AromaticContact CG-CZ 3.85Å; H347-F439 AromaticContact ND1-CZ 3.47Å; H347-F439 WeakPolarHBondContact ND1-CZ 3.32Å
348L85.9Confident67.8Low10 Ų1076.1 Ų76.15%0.05247%0.466CS..  trans-71.5125.4169.8178.360.7000108.9I368 I455 W457 R460L348-I368 HydrophobicContact CB-CB 4.28Å; L348-I368 HydrophobicContact CD2-CB 4.01Å; L348-I368 HydrophobicContact CD2-CG1 4.12Å; L348-I368 HydrophobicContact CD2-CG2 4.18Å; L348-I368 HydrophobicContact CG-CB 4.07Å; L348-I368 HydrophobicContact CG-CG1 4.04Å; L348-I368 PolarHBondContact O-N 3.5Å; L348-I455 HydrophobicContact CD2-CD1 4.27Å; L348-I455 HydrophobicContact CD2-CG2 3.57Å; L348-W457 HydrophobicContact CB-CZ3 4.03Å; L348-W457 HydrophobicContact CD2-CE3 4.22Å; L348-W457 HydrophobicContact CD2-CH2 4.19Å; L348-W457 HydrophobicContact CD2-CZ3 3.75Å; L348-R460 HydrophobicContact CD1-CB 3.73Å; L348-R460 HydrophobicContact CD1-CG 4.37Å; L348-R460 WeakPolarHBondContact CD1-O 3.22Å
349Q88.5Confident70Confident55 Ų5578.3 Ų78.326%0.25746%0.457SS..EExtended strand (participates in β ladder)trans-129.5141.9-179.8-68.1177.20.500110.5H347 A366 F439H347-Q349 PolarHBondContact O-N 3.05Å; Q349-A366 CarbonylContact C-O 3.59Å; Q349-A366 WeakPolarHBondContact CA-O 3.29Å; Q349-F439 VanDerWaalsContact NE2-CE1 3.28Å
350V87.3Confident72.2Confident10 Ų1078.2 Ų78.26%0.06145%0.445CS..EExtended strand (participates in β ladder)trans-123.2145.7178.4-61.50000110L352 R365 A366 I368 L422 L443 I462V350-L352 HydrophobicContact CG2-CD2 4.13Å; V350-L352 HydrophobicContact CG2-CG 4.48Å; V350-L352 PolarHBondContact O-N 3.23Å; V350-R365 CarbonylContact O-C 3.49Å; V350-R365 WeakPolarHBondContact O-CA 3.48Å; V350-A366 HydrophobicContact CG2-CB 4.1Å; V350-A366 PolarHBondContact N-O 3.44Å; V350-A366 PolarHBondContact O-N 2.92Å; V350-I368 HydrophobicContact CG1-CD1 4.14Å; V350-I368 HydrophobicContact CG1-CG1 3.95Å; V350-I368 HydrophobicContact CG2-CD1 3.79Å; V350-I368 HydrophobicContact CG2-CG1 4.31Å; V350-L422 HydrophobicContact CB-CD1 3.85Å; V350-L422 HydrophobicContact CB-CD2 4.27Å; V350-L422 HydrophobicContact CG2-CD1 4.27Å; V350-L422 HydrophobicContact CG2-CD2 4.04Å; V350-L443 HydrophobicContact CG2-CD1 4.3Å; V350-I462 HydrophobicContact CG1-CG2 3.9Å
351M87.8Confident74.6Confident95 Ų9572.4 Ų72.447%0.46842%0.421SS..EExtended strand (participates in β ladder)trans-84.2109.3174.8-75.1-60.4-50.400109.7F363 R365 L422M351-F363 HydrophobicContact CE-CB 3.9Å; M351-R365 HydrophobicContact SD-CB 4.44Å; M351-R365 HydrophobicContact SD-CG 3.38Å; M351-R365 WeakPolarHBondContact SD-CG 3.32Å; M351-L422 WeakPolarHBondContact O-CD1 3.07Å
352L91.5Very high76.7Confident3 Ų366.6 Ų66.62%0.01639%0.39CS..EExtended strand (participates in β ladder)trans-89.7143.6168.9-58.9-176.2000110.4V350 I354 F363 V364 A366 V420 L422 V441 L443V350-L352 HydrophobicContact CG2-CD2 4.13Å; V350-L352 HydrophobicContact CG2-CG 4.48Å; V350-L352 PolarHBondContact O-N 3.23Å; L352-I354 HydrophobicContact CB-CG1 4.49Å; L352-F363 WeakPolarHBondContact O-CA 3.17Å; L352-V364 HydrophobicContact CB-CG1 3.95Å; L352-V364 PolarHBondContact N-O 2.9Å; L352-V364 PolarHBondContact O-N 3.43Å; L352-A366 HydrophobicContact CD1-CB 3.49Å; L352-A366 VanDerWaalsContact CD1-CB 3.49Å; L352-A366 HydrophobicContact CG-CB 3.72Å; L352-V420 HydrophobicContact CB-CG1 4.11Å; L352-V420 HydrophobicContact CD1-CG1 4.02Å; L352-V420 HydrophobicContact CD2-CG1 3.96Å; L352-V420 HydrophobicContact CG-CG1 4.25Å; L352-L422 HydrophobicContact CD2-CB 3.94Å; L352-L422 HydrophobicContact CD2-CD1 4.3Å; L352-L422 HydrophobicContact CD2-CD2 4.03Å; L352-L422 HydrophobicContact CD2-CG 4.31Å; L352-V441 HydrophobicContact CD1-CG1 4Å; L352-L443 HydrophobicContact CD1-CD1 4.17Å; L352-L443 HydrophobicContact CD2-CD1 4.24Å
353Q89.3Confident79.2Confident73 Ų7366.6 Ų66.634%0.34138%0.384SS..EExtended strand (participates in β ladder)trans-107.3115.9164.9-49.7-176.33.600108.1T361 L362 F363 V420 D421Q353-T361 HydrophobicContact CB-CG2 3.84Å; Q353-L362 CarbonylContact C-O 3.52Å; Q353-L362 WeakPolarHBondContact CA-O 3.32Å; Q353-F363 HydrophobicContact CG-CD1 3.91Å; Q353-F363 HydrophobicContact CG-CE1 3.73Å; Q353-V420 WeakPolarHBondContact O-CA 3.33Å; Q353-D421 HydrophobicContact CB-CB 4.2Å; Q353-D421 PolarHBondContact N-O 3.22Å; Q353-D421 PolarHBondContact O-N 3.42Å
354I90.9Very high81.6Confident0 Ų062.3 Ų62.30%035%0.348CS..EExtended strand (participates in β ladder)trans-104.2116.6-178.7-57.8179.7000108.3L352 T361 L362 V364 L418 V420 V441L352-I354 HydrophobicContact CB-CG1 4.49Å; I354-T361 WeakPolarHBondContact O-CA 3.5Å; I354-L362 HydrophobicContact CB-CB 4.3Å; I354-L362 PolarHBondContact N-O 2.88Å; I354-L362 PolarHBondContact O-N 3.44Å; I354-V364 HydrophobicContact CD1-CG1 3.75Å; I354-V364 HydrophobicContact CG1-CG1 4.23Å; I354-L418 HydrophobicContact CG2-CB 4.04Å; I354-L418 HydrophobicContact CG2-CD1 3.75Å; I354-L418 HydrophobicContact CG2-CG 4.42Å; I354-V420 HydrophobicContact CG1-CG2 4.38Å; I354-V441 HydrophobicContact CD1-CG2 4.48Å
355H83.9Confident83.1Confident43 Ų4362.6 Ų62.620%0.19933%0.332CS..EExtended strand (participates in β ladder)trans-96.1111.8-179.3-56.7-81.2000110.4T361 I419 D421H355-T361 VanDerWaalsContact CE1-CG2 3.47Å; H355-T361 WeakPolarHBondContact CE1-CG2 3.31Å; H355-T361 PolarHBondContact CE1-OG1 2.9Å; H355-T361 WeakPolarHBondContact ND1-CG2 3.38Å; H355-T361 PolarHBondContact ND1-OG1 3.32Å; H355-I419 HydrophobicContact CB-CB 4.23Å; H355-I419 PolarHBondContact N-O 2.82Å; H355-D421 IonicContact CD2-OD2 2.82Å; H355-D421 IonicContact CE1-OD2 3.49Å; H355-D421 IonicContact NE2-OD1 3.16Å; H355-D421 IonicContact NE2-OD2 3.6Å; H355-D421 PolarHBondContact NE2-OD2 2.81Å
356L80.9Confident84.4Confident9 Ų961.3 Ų61.35%0.04732%0.322CS..  trans-90.5124.3175.6-67.9178.6000110.1G358 R359 L362 I387 L418L356-G358 PolarHBondContact O-N 2.75Å; L356-R359 HydrophobicContact CB-CB 3.89Å; L356-R359 PolarHBondContact O-N 3.08Å; L356-L362 HydrophobicContact CD1-CD1 3.87Å; L356-L362 HydrophobicContact CD1-CG 4.34Å; L356-L362 HydrophobicContact CG-CD1 4.44Å; L356-I387 HydrophobicContact CD1-CG1 4.31Å; L356-I387 HydrophobicContact CD2-CG1 4.43Å; L356-I387 HydrophobicContact CD2-CG2 4.46Å; L356-L418 HydrophobicContact CD2-CD2 3.89Å
357P67.6Low85.2Confident110 Ų11056.8 Ų56.871%0.71429%0.292SS*.THydrogen-bonded Turntrans-53.6122.1178.9-28.435.8000112.6R359P357-R359 VanDerWaalsContact C-N 3.33Å; P357-R359 PolarHBondContact O-N 3.03Å
358G66.2Low85.5Confident92 Ų9253.6 Ų53.695%0.94828%0.278SS*.THydrogen-bonded Turntrans73.514.5-179.500000115.6L356L356-G358 PolarHBondContact O-N 2.75Å
359R73.3Confident85.7Confident153 Ų15355.9 Ų55.958%0.57729%0.29SS*.SBendtrans-133.1-177178.1-69-172-177.8164.86112L356 P357 G386L356-R359 HydrophobicContact CB-CB 3.89Å; L356-R359 PolarHBondContact O-N 3.08Å; P357-R359 VanDerWaalsContact C-N 3.33Å; P357-R359 PolarHBondContact O-N 3.03Å; R359-G386 PolarHBondContact NH1-O 2.9Å
360H80.1Confident85.5Confident133 Ų13357.3 Ų57.362%0.61631%0.306SS*.PPolyproline II helixtrans-75.8150.9175.459.8-93.2000111.6L362H360-L362 WeakPolarHBondContact NE2-CD2 3.43Å
361T87.9Confident85.1Confident47 Ų4760 Ų6029%0.28834%0.336SS..EExtended strand (participates in β ladder)trans-69.5131.3171.9-51.90000110.4Q353 I354 H355 F363Q353-T361 HydrophobicContact CB-CG2 3.84Å; I354-T361 WeakPolarHBondContact O-CA 3.5Å; H355-T361 VanDerWaalsContact CE1-CG2 3.47Å; H355-T361 WeakPolarHBondContact CE1-CG2 3.31Å; H355-T361 PolarHBondContact CE1-OG1 2.9Å; H355-T361 WeakPolarHBondContact ND1-CG2 3.38Å; H355-T361 PolarHBondContact ND1-OG1 3.32Å; T361-F363 HydrophobicContact CG2-CE2 4.23Å; T361-F363 HydrophobicContact CG2-CZ 4.36Å
362L91.3Very high84.8Confident9 Ų956 Ų565%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-91.8141.6173.5-56.9174.1000110Q353 I354 L356 H360 N385 I387Q353-L362 CarbonylContact C-O 3.52Å; Q353-L362 WeakPolarHBondContact CA-O 3.32Å; I354-L362 HydrophobicContact CB-CB 4.3Å; I354-L362 PolarHBondContact N-O 2.88Å; I354-L362 PolarHBondContact O-N 3.44Å; L356-L362 HydrophobicContact CD1-CD1 3.87Å; L356-L362 HydrophobicContact CD1-CG 4.34Å; L356-L362 HydrophobicContact CG-CD1 4.44Å; H360-L362 WeakPolarHBondContact NE2-CD2 3.43Å; L362-N385 HydrophobicContact CD1-CB 3.72Å; L362-N385 HydrophobicContact CD2-CB 4.24Å; L362-N385 WeakPolarHBondContact CD2-OD1 3.37Å; L362-I387 HydrophobicContact CD1-CD1 4.01Å; L362-I387 HydrophobicContact CD1-CG1 4.16Å
363F89.9Confident84Confident127 Ų12758.9 Ų58.956%0.55734%0.338SS*.EExtended strand (participates in β ladder)trans-113.3121.1175-65.9-98.2000108.6M351 L352 Q353 T361M351-F363 HydrophobicContact CE-CB 3.9Å; L352-F363 WeakPolarHBondContact O-CA 3.17Å; Q353-F363 HydrophobicContact CG-CD1 3.91Å; Q353-F363 HydrophobicContact CG-CE1 3.73Å; T361-F363 HydrophobicContact CG2-CE2 4.23Å; T361-F363 HydrophobicContact CG2-CZ 4.36Å
364V91.2Very high83.8Confident7 Ų755.5 Ų55.54%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-138.2139.7-174.166.10000111.6L352 I354 A366 Y381 P440 V441L352-V364 HydrophobicContact CB-CG1 3.95Å; L352-V364 PolarHBondContact N-O 2.9Å; L352-V364 PolarHBondContact O-N 3.43Å; I354-V364 HydrophobicContact CD1-CG1 3.75Å; I354-V364 HydrophobicContact CG1-CG1 4.23Å; V364-A366 PolarHBondContact O-N 3.48Å; V364-Y381 HydrophobicContact CG2-CE1 4.35Å; V364-Y381 HydrophobicContact CG2-CE2 4.27Å; V364-P440 HydrophobicContact CG2-CB 3.92Å; V364-P440 HydrophobicContact CG2-CG 4.43Å; V364-V441 HydrophobicContact CG1-CG2 3.96Å; V364-V441 HydrophobicContact CG2-CG2 4.07Å
365R89.4Confident83.7Confident121 Ų12156.5 Ų56.546%0.45733%0.329SS..EExtended strand (participates in β ladder)trans-80.2106.3168.4-71.8-174.5-174.9-177.65.9108.4V350 M351V350-R365 CarbonylContact O-C 3.49Å; V350-R365 WeakPolarHBondContact O-CA 3.48Å; M351-R365 HydrophobicContact SD-CB 4.44Å; M351-R365 HydrophobicContact SD-CG 3.38Å; M351-R365 WeakPolarHBondContact SD-CG 3.32Å
366A91.3Very high84.1Confident0 Ų055.3 Ų55.30%032%0.323CS..EExtended strand (participates in β ladder)trans-86.1136.1170.300000110.1Q349 V350 L352 V364 V441 L443Q349-A366 CarbonylContact C-O 3.59Å; Q349-A366 WeakPolarHBondContact CA-O 3.29Å; V350-A366 HydrophobicContact CG2-CB 4.1Å; V350-A366 PolarHBondContact N-O 3.44Å; V350-A366 PolarHBondContact O-N 2.92Å; L352-A366 HydrophobicContact CD1-CB 3.49Å; L352-A366 VanDerWaalsContact CD1-CB 3.49Å; L352-A366 HydrophobicContact CG-CB 3.72Å; V364-A366 PolarHBondContact O-N 3.48Å; A366-V441 CarbonylContact C-O 3.49Å; A366-V441 WeakPolarHBondContact CA-O 3.33Å; A366-V441 HydrophobicContact CB-CB 3.83Å; A366-V441 HydrophobicContact CB-CG1 3.68Å; A366-L443 HydrophobicContact CB-CD1 4.3Å; A366-L443 HydrophobicContact CB-CG 4.35Å
367M92.8Very high84.6Confident15 Ų1554.9 Ų54.97%0.07432%0.321CS..EExtended strand (participates in β ladder)trans-78.8136.8169.1-179.2169.17100110.1H347 D369 F439 V441 V442 L443H347-M367 HydrophobicContact CB-CG 4.2Å; H347-M367 HydrophobicContact CB-SD 3.88Å; H347-M367 VanDerWaalsContact CD2-SD 3.56Å; M367-D369 HydrophobicContact CE-CB 4.02Å; M367-D369 HydrophobicContact CG-CB 4.45Å; M367-F439 HydrophobicContact CB-CB 4.08Å; M367-F439 HydrophobicContact CB-CD1 4.19Å; M367-F439 HydrophobicContact CB-CG 3.99Å; M367-F439 HydrophobicContact CE-CB 4.48Å; M367-F439 HydrophobicContact CE-CD2 3.47Å; M367-F439 VanDerWaalsContact CE-CD2 3.47Å; M367-F439 HydrophobicContact CE-CE2 3.94Å; M367-F439 HydrophobicContact CE-CG 4.08Å; M367-F439 HydrophobicContact SD-CD1 4.21Å; M367-F439 HydrophobicContact SD-CD2 3.44Å; M367-F439 WeakPolarHBondContact SD-CD2 3.44Å; M367-F439 HydrophobicContact SD-CE1 4.26Å; M367-F439 HydrophobicContact SD-CE2 3.46Å; M367-F439 WeakPolarHBondContact SD-CE2 3.41Å; M367-F439 HydrophobicContact SD-CG 3.84Å; M367-F439 HydrophobicContact SD-CZ 3.9Å; M367-V441 PolarHBondContact N-O 3.29Å; M367-V442 HydrophobicContact CE-CG1 4.04Å; M367-V442 HydrophobicContact CE-CG2 3.99Å; M367-V442 WeakPolarHBondContact O-CA 3.33Å; M367-L443 PolarHBondContact O-N 2.81Å
368I89.4Confident85.7Confident14 Ų1450.4 Ų50.47%0.07229%0.291CS..EExtended strand (participates in β ladder)trans-90.5119.4166.9-58.2-55.1000108.3L348 V350 L443 W447 L448 I455 I462L348-I368 HydrophobicContact CB-CB 4.28Å; L348-I368 HydrophobicContact CD2-CB 4.01Å; L348-I368 HydrophobicContact CD2-CG1 4.12Å; L348-I368 HydrophobicContact CD2-CG2 4.18Å; L348-I368 HydrophobicContact CG-CB 4.07Å; L348-I368 HydrophobicContact CG-CG1 4.04Å; L348-I368 PolarHBondContact O-N 3.5Å; V350-I368 HydrophobicContact CG1-CD1 4.14Å; V350-I368 HydrophobicContact CG1-CG1 3.95Å; V350-I368 HydrophobicContact CG2-CD1 3.79Å; V350-I368 HydrophobicContact CG2-CG1 4.31Å; I368-L443 HydrophobicContact CD1-CB 4.01Å; I368-L443 HydrophobicContact CD1-CD1 3.87Å; I368-W447 HydrophobicContact CD1-CH2 4.48Å; I368-W447 HydrophobicContact CD1-CZ3 3.95Å; I368-L448 HydrophobicContact CG2-CD1 4.02Å; I368-L448 HydrophobicContact CG2-CD2 3.82Å; I368-L448 HydrophobicContact CG2-CG 4.45Å; I368-I455 HydrophobicContact CG2-CD1 4.27Å; I368-I462 HydrophobicContact CD1-CD1 4.49Å
369D88.6Confident86.5Confident57 Ų5750.6 Ų50.631%0.30527%0.267SS..  trans-139.7106.6-178.5-175.49.1000112.4M367 G371 A372 V442 L443 G444M367-D369 HydrophobicContact CE-CB 4.02Å; M367-D369 HydrophobicContact CG-CB 4.45Å; D369-G371 PolarHBondContact O-N 3.43Å; D369-G371 WeakPolarHBondContact OD1-CA 3.38Å; D369-G371 PolarHBondContact OD1-N 3.41Å; D369-A372 HydrophobicContact CB-CB 4.18Å; D369-A372 PolarHBondContact O-N 3.02Å; D369-V442 HydrophobicContact CB-CG1 3.8Å; D369-L443 PolarHBondContact N-O 3.36Å; D369-G444 WeakPolarHBondContact O-CA 3.18Å
370S83.9Confident87.1Confident86 Ų8649.1 Ų49.160%0.60127%0.266SS*.THydrogen-bonded Turntrans-70.9-10174.256.20000114
371G80.7Confident87.5Confident67 Ų6744.2 Ų44.269%0.69124%0.243SC*.THydrogen-bonded Turntrans-80.8-20.917100000113.6D369D369-G371 PolarHBondContact O-N 3.43Å; D369-G371 WeakPolarHBondContact OD1-CA 3.38Å; D369-G371 PolarHBondContact OD1-N 3.41Å
372A80.1Confident87.5Confident11 Ų1142.2 Ų42.29%0.09123%0.23CC..  trans-79.7130.1178.400000111.4D369 G374 F376 V442 G444 V445D369-A372 HydrophobicContact CB-CB 4.18Å; D369-A372 PolarHBondContact O-N 3.02Å; A372-G374 VanDerWaalsContact C-N 3.32Å; A372-G374 PolarHBondContact O-N 2.77Å; A372-F376 HydrophobicContact CB-CD2 4.3Å; A372-F376 HydrophobicContact CB-CE2 4.15Å; A372-V442 HydrophobicContact CB-CG1 3.96Å; A372-G444 CarbonylContact O-C 3.52Å; A372-G444 WeakPolarHBondContact O-CA 3.41Å; A372-V445 WeakPolarHBondContact O-CG1 3.43Å; A372-V445 PolarHBondContact O-N 2.82Å
373S76.4Confident87.1Confident62 Ų6245 Ų4543%0.43426%0.255SS..SBendtrans-78.2-11-177.262.80000114.7R446S373-R446 WeakPolarHBondContact O-CD 3.34Å; S373-R446 WeakPolarHBondContact O-CG 3.47Å; S373-R446 PolarHBondContact O-NH1 2.8Å
374G83.1Confident87Confident3 Ų345.2 Ų45.23%0.03126%0.257CS..SBendtrans-154179.8-176.800000111.7A372 F376 G444A372-G374 VanDerWaalsContact C-N 3.32Å; A372-G374 PolarHBondContact O-N 2.77Å; G374-F376 WeakPolarHBondContact O-CD2 3.37Å; G374-F376 WeakPolarHBondContact O-CE2 3.29Å; G374-G444 WeakPolarHBondContact O-CA 3.35Å; G374-G444 PolarHBondContact O-N 2.93Å
375N89.8Confident86.7Confident20 Ų2047 Ų4711%0.10727%0.266CS..  trans-91.9122175-68.4-12.3000108.7F431 D432 V442 G444 W447N375-F431 HydrophobicContact CB-CD1 3.8Å; N375-F431 HydrophobicContact CB-CE1 4.11Å; N375-D432 PolarHBondContact O-N 3.09Å; N375-V442 CarbonylContact C-O 3.54Å; N375-V442 WeakPolarHBondContact CA-O 3.43Å; N375-G444 PolarHBondContact OD1-N 3.4Å; N375-W447 VanDerWaalsContact OD1-CB 3.25Å; N375-W447 WeakPolarHBondContact OD1-CB 3.45Å
376F92.1Very high86.5Confident19 Ų1942.9 Ų42.98%0.08326%0.262CS..EExtended strand (participates in β ladder)trans-115.9149.2-174.5-61.7-73.8000112A372 G374 V398 D432 T434 V441 V442A372-F376 HydrophobicContact CB-CD2 4.3Å; A372-F376 HydrophobicContact CB-CE2 4.15Å; G374-F376 WeakPolarHBondContact O-CD2 3.37Å; G374-F376 WeakPolarHBondContact O-CE2 3.29Å; F376-V398 HydrophobicContact CE1-CG2 3.98Å; F376-V398 HydrophobicContact CZ-CG1 4.28Å; F376-V398 HydrophobicContact CZ-CG2 4.11Å; F376-D432 CarbonylContact C-O 3.55Å; F376-D432 VanDerWaalsContact CA-O 3.25Å; F376-D432 WeakPolarHBondContact CA-O 3.36Å; F376-D432 HydrophobicContact CD1-CB 3.55Å; F376-D432 HydrophobicContact CE1-CB 3.75Å; F376-T434 HydrophobicContact CB-CG2 3.81Å; F376-T434 HydrophobicContact CD1-CG2 4.16Å; F376-T434 HydrophobicContact CG-CG2 4.19Å; F376-V441 CarbonylContact O-C 3.53Å; F376-V441 WeakPolarHBondContact O-CA 3.41Å; F376-V442 HydrophobicContact CB-CB 4.33Å; F376-V442 PolarHBondContact N-O 3.05Å; F376-V442 PolarHBondContact O-N 2.88Å
377I91.9Very high86.2Confident0 Ų043.2 Ų43.20%026%0.263CS..EExtended strand (participates in β ladder)trans-130.4143.5171.2-165.4167.4000110Y381 V382 I387 T415 F431 D432 V433 T434 P440 V441I377-Y381 HydrophobicContact CD1-CD1 4.18Å; I377-Y381 HydrophobicContact CG1-CD1 4.26Å; I377-V382 HydrophobicContact CB-CG2 4.4Å; I377-V382 HydrophobicContact CD1-CG2 3.8Å; I377-V382 HydrophobicContact CG1-CG2 3.88Å; I377-V382 HydrophobicContact CG2-CG2 3.68Å; I377-I387 HydrophobicContact CD1-CD1 3.73Å; I377-T415 HydrophobicContact CD1-CG2 4.36Å; I377-T415 HydrophobicContact CG2-CG2 3.83Å; I377-F431 HydrophobicContact CB-CB 3.65Å; I377-F431 HydrophobicContact CB-CG 4.21Å; I377-F431 HydrophobicContact CG2-CB 3.57Å; I377-D432 PolarHBondContact N-O 3.29Å; I377-V433 HydrophobicContact CG2-CG2 3.99Å; I377-V433 WeakPolarHBondContact O-CA 3.17Å; I377-T434 PolarHBondContact O-N 3.28Å; I377-P440 CarbonylContact C-O 3.58Å; I377-P440 WeakPolarHBondContact CA-O 3.43Å; I377-P440 WeakPolarHBondContact CG1-O 3.39Å; I377-V441 HydrophobicContact CD1-CG2 4.28Å; I377-V441 HydrophobicContact CG1-CG2 4.05Å
378D91.4Very high85.6Confident15 Ų1545.1 Ų45.18%0.0828%0.277CS..EExtended strand (participates in β ladder)trans-73.1135.9179.3178.573000112.5E380 Y381 V382 T434 S436 P440D378-E380 PolarHBondContact O-N 3.49Å; D378-E380 WeakPolarHBondContact OD2-CA 3.25Å; D378-E380 VanDerWaalsContact OD2-CB 3.29Å; D378-E380 WeakPolarHBondContact OD2-CB 3.43Å; D378-E380 PolarHBondContact OD2-N 3.19Å; D378-Y381 PolarHBondContact O-N 2.78Å; D378-Y381 PolarHBondContact OD2-N 3.04Å; D378-V382 WeakPolarHBondContact O-CG2 3.41Å; D378-V382 PolarHBondContact O-N 2.7Å; D378-T434 CarbonylContact C-O 3.58Å; D378-T434 WeakPolarHBondContact CA-O 3.36Å; D378-S436 PolarHBondContact OD1-N 3.42Å; D378-P440 PolarHBondContact N-O 3.21Å
379H82.9Confident85.2Confident97 Ų9747.1 Ų47.145%0.44929%0.288SS..Hα-helixtrans-60.8-40.1-179.5-179.670.2000113.5A383 V433 T434H379-A383 PolarHBondContact O-N 2.84Å; H379-A383 VanDerWaalsContact O-N 3.09Å; H379-V433 HydrophobicContact CB-CG1 3.86Å; H379-T434 PolarHBondContact N-O 2.87Å
380E85.4Confident84.4Confident121 Ų12150.3 Ų50.357%0.56530%0.295SS*.Hα-helixtrans-72.5-41.2179.6-152.2-170.7146.400110.4D378 V382 A383 Q384D378-E380 PolarHBondContact O-N 3.49Å; D378-E380 WeakPolarHBondContact OD2-CA 3.25Å; D378-E380 VanDerWaalsContact OD2-CB 3.29Å; D378-E380 WeakPolarHBondContact OD2-CB 3.43Å; D378-E380 PolarHBondContact OD2-N 3.19Å; E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 PolarHBondContact O-N 3.46Å; E380-A383 PolarHBondContact O-N 2.94Å; E380-A383 VanDerWaalsContact O-N 3.15Å; E380-Q384 WeakPolarHBondContact O-CB 3.41Å; E380-Q384 VanDerWaalsContact O-CG 3.25Å; E380-Q384 WeakPolarHBondContact O-CG 3.42Å; E380-Q384 PolarHBondContact O-N 3.08Å; E380-Q384 PolarHBondContact OE1-NE2 3.37Å
381Y88.3Confident83.2Confident31 Ų3152 Ų5212%0.12230%0.297CS..Hα-helixtrans-59.2-42.8173.6-173.6-96.3000112.5V364 I377 D378 N385 I387 P440V364-Y381 HydrophobicContact CG2-CE1 4.35Å; V364-Y381 HydrophobicContact CG2-CE2 4.27Å; I377-Y381 HydrophobicContact CD1-CD1 4.18Å; I377-Y381 HydrophobicContact CG1-CD1 4.26Å; D378-Y381 PolarHBondContact O-N 2.78Å; D378-Y381 PolarHBondContact OD2-N 3.04Å; Y381-N385 WeakPolarHBondContact CD2-ND2 3.44Å; Y381-N385 VanDerWaalsContact CE2-ND2 3.31Å; Y381-N385 WeakPolarHBondContact CE2-ND2 3.34Å; Y381-N385 WeakPolarHBondContact O-CB 3.5Å; Y381-N385 PolarHBondContact O-N 2.8Å; Y381-N385 VanDerWaalsContact O-N 3.14Å; Y381-N385 PolarHBondContact O-ND2 2.96Å; Y381-I387 HydrophobicContact CD1-CD1 4.22Å; Y381-I387 HydrophobicContact CE1-CD1 4.06Å; Y381-P440 HydrophobicContact CD1-CB 4.24Å; Y381-P440 HydrophobicContact CD2-CB 3.74Å; Y381-P440 HydrophobicContact CD2-CG 4.26Å; Y381-P440 HydrophobicContact CE2-CB 4.28Å; Y381-P440 HydrophobicContact CG-CB 3.72Å
382V88.3Confident81.9Confident5 Ų550.5 Ų50.53%0.0327%0.271CS..Hα-helixtrans-57.5-48.5172.6160.70000111.4I377 D378 E380 G386 I387 L389I377-V382 HydrophobicContact CB-CG2 4.4Å; I377-V382 HydrophobicContact CD1-CG2 3.8Å; I377-V382 HydrophobicContact CG1-CG2 3.88Å; I377-V382 HydrophobicContact CG2-CG2 3.68Å; D378-V382 WeakPolarHBondContact O-CG2 3.41Å; D378-V382 PolarHBondContact O-N 2.7Å; E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 PolarHBondContact O-N 3.46Å; V382-G386 WeakPolarHBondContact O-CA 3.39Å; V382-G386 PolarHBondContact O-N 3.14Å; V382-I387 HydrophobicContact CB-CB 4.48Å; V382-I387 HydrophobicContact CG1-CB 4.2Å; V382-I387 HydrophobicContact CG2-CB 4.34Å; V382-I387 HydrophobicContact CG2-CD1 4.44Å; V382-I387 PolarHBondContact O-N 3.15Å; V382-L389 HydrophobicContact CG1-CD1 3.84Å; V382-L389 HydrophobicContact CG1-CD2 3.67Å; V382-L389 HydrophobicContact CG1-CG 3.74Å; V382-L389 HydrophobicContact CG2-CD2 4.39Å
383A82.9Confident80.3Confident67 Ų6757 Ų5755%0.55430%0.304SS*.Hα-helixtrans-65.7-45.7-177.300000111.9H379 E380 N385 G386H379-A383 PolarHBondContact O-N 2.84Å; H379-A383 VanDerWaalsContact O-N 3.09Å; E380-A383 PolarHBondContact O-N 2.94Å; E380-A383 VanDerWaalsContact O-N 3.15Å; A383-N385 VanDerWaalsContact C-N 3.33Å; A383-N385 PolarHBondContact O-N 2.87Å; A383-G386 PolarHBondContact O-N 3.36Å
384Q87.4Confident78.7Confident132 Ų13262.4 Ų62.462%0.61732%0.315SS*.Hα-helixtrans-60.9-38.8179-71.2174.113.900112.5E380E380-Q384 WeakPolarHBondContact O-CB 3.41Å; E380-Q384 VanDerWaalsContact O-CG 3.25Å; E380-Q384 WeakPolarHBondContact O-CG 3.42Å; E380-Q384 PolarHBondContact O-N 3.08Å; E380-Q384 PolarHBondContact OE1-NE2 3.37Å
385N85.8Confident77Confident43 Ų4366 Ų6623%0.2334%0.338CS..Hα-helixtrans-94.8-0.8-178.9-62.8-82.3000113.5L362 Y381 A383 I387L362-N385 HydrophobicContact CD1-CB 3.72Å; L362-N385 HydrophobicContact CD2-CB 4.24Å; L362-N385 WeakPolarHBondContact CD2-OD1 3.37Å; Y381-N385 WeakPolarHBondContact CD2-ND2 3.44Å; Y381-N385 VanDerWaalsContact CE2-ND2 3.31Å; Y381-N385 WeakPolarHBondContact CE2-ND2 3.34Å; Y381-N385 WeakPolarHBondContact O-CB 3.5Å; Y381-N385 PolarHBondContact O-N 2.8Å; Y381-N385 VanDerWaalsContact O-N 3.14Å; Y381-N385 PolarHBondContact O-ND2 2.96Å; A383-N385 VanDerWaalsContact C-N 3.33Å; A383-N385 PolarHBondContact O-N 2.87Å; N385-I387 VanDerWaalsContact C-N 3.3Å; N385-I387 HydrophobicContact CB-CD1 4.36Å; N385-I387 HydrophobicContact CB-CG1 4.08Å; N385-I387 PolarHBondContact O-N 3.42Å
386G84Confident75.3Confident35 Ų3567.7 Ų67.736%0.36135%0.346SS..THydrogen-bonded Turntrans60.733.4179.700000114.2R359 V382 A383R359-G386 PolarHBondContact NH1-O 2.9Å; V382-G386 WeakPolarHBondContact O-CA 3.39Å; V382-G386 PolarHBondContact O-N 3.14Å; A383-G386 PolarHBondContact O-N 3.36Å
387I85.7Confident73.3Confident7 Ų772.9 Ų72.94%0.03638%0.375CS..  trans-65.3129-178.3-61.7176000109L356 L362 I377 Y381 V382 N385 L389 T415 L418L356-I387 HydrophobicContact CD1-CG1 4.31Å; L356-I387 HydrophobicContact CD2-CG1 4.43Å; L356-I387 HydrophobicContact CD2-CG2 4.46Å; L362-I387 HydrophobicContact CD1-CD1 4.01Å; L362-I387 HydrophobicContact CD1-CG1 4.16Å; I377-I387 HydrophobicContact CD1-CD1 3.73Å; Y381-I387 HydrophobicContact CD1-CD1 4.22Å; Y381-I387 HydrophobicContact CE1-CD1 4.06Å; V382-I387 HydrophobicContact CB-CB 4.48Å; V382-I387 HydrophobicContact CG1-CB 4.2Å; V382-I387 HydrophobicContact CG2-CB 4.34Å; V382-I387 HydrophobicContact CG2-CD1 4.44Å; V382-I387 PolarHBondContact O-N 3.15Å; N385-I387 VanDerWaalsContact C-N 3.3Å; N385-I387 HydrophobicContact CB-CD1 4.36Å; N385-I387 HydrophobicContact CB-CG1 4.08Å; N385-I387 PolarHBondContact O-N 3.42Å; I387-L389 PolarHBondContact O-N 2.84Å; I387-T415 HydrophobicContact CG2-CG2 3.78Å; I387-L418 HydrophobicContact CG2-CD1 4.05Å; I387-L418 HydrophobicContact CG2-CD2 4.18Å
388P80.5Confident71.6Confident55 Ų5573.8 Ų73.836%0.35738%0.38SS..  trans-71.4127.1-173.428-34.7000112H416P388-H416 VanDerWaalsContact C-ND1 3.33Å; P388-H416 HydrophobicContact CG-CB 4.19Å; P388-H416 PolarHBondContact O-N 2.68Å; P388-H416 PolarHBondContact O-ND1 3.45Å
389L79.8Confident70.1Confident57 Ų5779.5 Ų79.530%0.29841%0.406SS..EExtended strand (participates in β ladder)trans-104.4148.7-178.5-65-172.1000113.7V382 I387 H413 E414 T415 H416 V433V382-L389 HydrophobicContact CG1-CD1 3.84Å; V382-L389 HydrophobicContact CG1-CD2 3.67Å; V382-L389 HydrophobicContact CG1-CG 3.74Å; V382-L389 HydrophobicContact CG2-CD2 4.39Å; I387-L389 PolarHBondContact O-N 2.84Å; L389-H413 HydrophobicContact CD1-CB 4.16Å; L389-E414 CarbonylContact C-O 3.56Å; L389-E414 WeakPolarHBondContact CA-O 3.45Å; L389-E414 WeakPolarHBondContact CD2-O 3.26Å; L389-T415 HydrophobicContact CD2-CG2 4.1Å; L389-H416 PolarHBondContact O-CE1 2.93Å; L389-V433 HydrophobicContact CD1-CG2 4.27Å; L389-V433 HydrophobicContact CD2-CG2 3.49Å; L389-V433 VanDerWaalsContact CD2-CG2 3.49Å
390R73.2Confident69.1Low124 Ų12477 Ų7747%0.46840%0.402SS..EExtended strand (participates in β ladder)trans-115.6144.1166.7-179167.370.3-166.70.4109H413 E414R390-H413 WeakPolarHBondContact O-CA 3.38Å; R390-E414 HydrophobicContact CB-CG 4.18Å; R390-E414 IonicContact CZ-OE1 2.84Å; R390-E414 PolarHBondContact N-O 2.92Å; R390-E414 IonicContact NE-OE1 2.72Å; R390-E414 PolarHBondContact NE-OE1 2.88Å; R390-E414 IonicContact NH2-OE1 3.21Å; R390-E414 PolarHBondContact NH2-OE1 2.66Å; R390-E414 PolarHBondContact O-N 3.01Å
391I57Low67.5Low122 Ų12280 Ų8063%0.62642%0.42SS*.EExtended strand (participates in β ladder)trans-78131.8169.1-60.4173.4000107.4
392K54.8Low65.9Low34 Ų3482.8 Ų82.815%0.14844%0.437CS..EExtended strand (participates in β ladder)trans-73.7140.9179-59.1-17672.780.90110.4W394 I396 V411 V412 E414 D432K392-W394 PolarHBondContact O-N 2.91Å; K392-I396 VanDerWaalsContact CE-CD1 3.48Å; K392-V411 HydrophobicContact CD-CG1 4.25Å; K392-V412 PolarHBondContact N-O 3.4Å; K392-E414 HydrophobicContact CD-CB 4.23Å; K392-E414 HydrophobicContact CG-CB 3.96Å; K392-E414 HydrophobicContact CG-CG 3.85Å; K392-E414 IonicContact NZ-OE2 3.9Å; K392-E414 PolarHBondContact NZ-OE2 3.49Å; K392-D432 VanDerWaalsContact CE-OD1 3.27Å; K392-D432 WeakPolarHBondContact CE-OD1 3.48Å; K392-D432 IonicContact NZ-OD1 3.54Å; K392-D432 PolarHBondContact NZ-OD1 2.86Å
393D45.3Very low63.8Low149 Ų14984.7 Ų84.780%0.79746%0.458SS*.EExtended strand (participates in β ladder)trans-61.4-27.3173.2-58.1-48.6000112.4
394W43.5Very low62Low175 Ų17589.6 Ų89.666%0.66346%0.462SS*.EExtended strand (participates in β ladder)trans-133.4122.2178.1-60.699.7000110.9K392K392-W394 PolarHBondContact O-N 2.91Å
395P48Very low60.2Low79 Ų7987.6 Ų87.651%0.51346%0.461SS..EExtended strand (participates in β ladder)trans-62135.2171-23.134.2000112P410 V411 V412P395-P410 HydrophobicContact CB-CB 4.09Å; P395-V411 WeakPolarHBondContact CA-O 3.41Å; P395-V412 HydrophobicContact CB-CG1 3.85Å; P395-V412 HydrophobicContact CG-CG1 4.02Å
396I53.2Low58.7Low54 Ų5487.3 Ų87.328%0.27746%0.459SS..EExtended strand (participates in β ladder)trans-98.5116.5175.6-59.1179000109.2K392 V398 P410 V411K392-I396 VanDerWaalsContact CE-CD1 3.48Å; I396-V398 HydrophobicContact CG2-CG2 3.93Å; I396-V398 PolarHBondContact O-N 3.2Å; I396-P410 CarbonylContact O-C 3.59Å; I396-P410 WeakPolarHBondContact O-CA 3.22Å; I396-V411 HydrophobicContact CB-CB 4.36Å; I396-V411 PolarHBondContact N-O 3.27Å; I396-V411 PolarHBondContact O-N 2.85Å
397L50.2Low56.8Low129 Ų12991 Ų9168%0.67549%0.485SS*.PPolyproline II helixtrans-72.9119.8164.5-74.6162.1000108.6P410L397-P410 HydrophobicContact CD2-CB 4.1Å; L397-P410 HydrophobicContact CG-CB 4.47Å
398V56.1Low55.1Low19 Ų1992.7 Ų92.712%0.11550%0.498CS..  trans-107.9127.3176.3-179.70000107.9F376 I396 P405 I406 V411F376-V398 HydrophobicContact CE1-CG2 3.98Å; F376-V398 HydrophobicContact CZ-CG1 4.28Å; F376-V398 HydrophobicContact CZ-CG2 4.11Å; I396-V398 HydrophobicContact CG2-CG2 3.93Å; I396-V398 PolarHBondContact O-N 3.2Å; V398-P405 WeakPolarHBondContact O-CA 3.45Å; V398-I406 HydrophobicContact CB-CD1 3.71Å; V398-I406 HydrophobicContact CB-CG1 4.01Å; V398-I406 HydrophobicContact CB-CG2 4.39Å; V398-I406 HydrophobicContact CG1-CD1 4Å; V398-I406 HydrophobicContact CG1-CG1 4.44Å; V398-I406 HydrophobicContact CG1-CG2 3.99Å; V398-I406 HydrophobicContact CG2-CD1 4.37Å; V398-I406 PolarHBondContact O-N 2.95Å; V398-V411 HydrophobicContact CG2-CG2 3.83Å
399E60.6Low53.6Low134 Ų13491.2 Ų91.263%0.62649%0.493SS*.BIsolated β-bridgetrans-105.1141.5178.7-68.7170-169.700110.1R404E399-R404 CarbonylContact C-O 3.56Å; E399-R404 VanDerWaalsContact CA-O 3.3Å; E399-R404 WeakPolarHBondContact CA-O 3.23Å
400A60.4Low52.2Low44 Ų4491.5 Ų91.536%0.36450%0.498SS..  trans-75.5170.1166.900000110.7D402 G403 R404A400-D402 PolarHBondContact O-N 3.24Å; A400-G403 PolarHBondContact O-N 3.05Å; A400-R404 PolarHBondContact N-O 3.32Å
401I52.5Low51.7Low186 Ų18685.7 Ų85.795%0.95448%0.477SS*.THydrogen-bonded Turntrans-61.2-17.2-178.2-164.1167.9000114.3G403I401-G403 VanDerWaalsContact C-N 3.3Å
402D54.5Low51.8Low89 Ų8982.6 Ų82.648%0.47646%0.463SS..THydrogen-bonded Turntrans-875.3173.172.8-17.6000113.7A400 R404A400-D402 PolarHBondContact O-N 3.24Å; D402-R404 VanDerWaalsContact C-N 3.29Å; D402-R404 PolarHBondContact O-N 2.97Å; D402-R404 WeakPolarHBondContact OD1-CB 3.48Å; D402-R404 PolarHBondContact OD1-N 3.21Å; D402-R404 VanDerWaalsContact OD2-CD 3.24Å; D402-R404 WeakPolarHBondContact OD2-CD 3.49Å; D402-R404 IonicContact OD2-CZ 3.85Å; D402-R404 IonicContact OD2-NE 3.81Å; D402-R404 IonicContact OD2-NH1 2.72Å; D402-R404 PolarHBondContact OD2-NH1 2.87Å
403G43.5Very low52.5Low45 Ų4584.1 Ų84.146%0.46447%0.471SS..SBendtrans76.89-179.200000114.3A400 I401A400-G403 PolarHBondContact O-N 3.05Å; I401-G403 VanDerWaalsContact C-N 3.3Å
404R46.8Very low54.4Low170 Ų17078 Ų7864%0.64244%0.437SS*.PPolyproline II helixtrans-90.2144.6176.5-63-175.3179.9140.7-11.4111.2E399 A400 D402E399-R404 CarbonylContact C-O 3.56Å; E399-R404 VanDerWaalsContact CA-O 3.3Å; E399-R404 WeakPolarHBondContact CA-O 3.23Å; A400-R404 PolarHBondContact N-O 3.32Å; D402-R404 VanDerWaalsContact C-N 3.29Å; D402-R404 PolarHBondContact O-N 2.97Å; D402-R404 WeakPolarHBondContact OD1-CB 3.48Å; D402-R404 PolarHBondContact OD1-N 3.21Å; D402-R404 VanDerWaalsContact OD2-CD 3.24Å; D402-R404 WeakPolarHBondContact OD2-CD 3.49Å; D402-R404 IonicContact OD2-CZ 3.85Å; D402-R404 IonicContact OD2-NE 3.81Å; D402-R404 IonicContact OD2-NH1 2.72Å; D402-R404 PolarHBondContact OD2-NH1 2.87Å
405P48.8Very low56.5Low90 Ų9069.7 Ų69.758%0.58441%0.406SS*.BIsolated β-bridgetrans-56.1142.5169.1-22.333.1000111.2V398V398-P405 WeakPolarHBondContact O-CA 3.45Å
406I53.3Low58.3Low37 Ų3770 Ų7019%0.1940%0.4CS..PPolyproline II helixtrans-62.3144.3173.761.2172.7000111V398 S408 G409 T434V398-I406 HydrophobicContact CB-CD1 3.71Å; V398-I406 HydrophobicContact CB-CG1 4.01Å; V398-I406 HydrophobicContact CB-CG2 4.39Å; V398-I406 HydrophobicContact CG1-CD1 4Å; V398-I406 HydrophobicContact CG1-CG1 4.44Å; V398-I406 HydrophobicContact CG1-CG2 3.99Å; V398-I406 HydrophobicContact CG2-CD1 4.37Å; V398-I406 PolarHBondContact O-N 2.95Å; I406-S408 WeakPolarHBondContact CD1-OG 3.27Å; I406-S408 WeakPolarHBondContact CG1-OG 3.34Å; I406-S408 PolarHBondContact O-N 3.49Å; I406-G409 PolarHBondContact O-N 3.15Å; I406-T434 WeakPolarHBondContact CD1-OG1 3.44Å
407A45.6Very low59.8Low111 Ų11172.5 Ų72.592%0.91741%0.414SS*.THydrogen-bonded Turntrans-62.7-18.8-171.900000114.5G409A407-G409 PolarHBondContact O-N 3.08Å
408S49.1Very low61.5Low43 Ų4366.4 Ų66.430%0.30138%0.382SS..THydrogen-bonded Turntrans-74.9-6.2173.556.40000114.2I406I406-S408 WeakPolarHBondContact CD1-OG 3.27Å; I406-S408 WeakPolarHBondContact CG1-OG 3.34Å; I406-S408 PolarHBondContact O-N 3.49Å
409G50.3Low63Low25 Ų2569 Ų6926%0.25839%0.394SS..  trans76.3-167.6-173.400000113.1I406 A407I406-G409 PolarHBondContact O-N 3.15Å; A407-G409 PolarHBondContact O-N 3.08Å
410P49.4Very low64.3Low62 Ų6262.7 Ų62.740%0.40337%0.365SS..SBendtrans-67.2141.4-177.928.4-34.7000111.9P395 I396 L397 V412P395-P410 HydrophobicContact CB-CB 4.09Å; I396-P410 CarbonylContact O-C 3.59Å; I396-P410 WeakPolarHBondContact O-CA 3.22Å; L397-P410 HydrophobicContact CD2-CB 4.1Å; L397-P410 HydrophobicContact CG-CB 4.47Å; P410-V412 PolarHBondContact O-N 2.93Å
411V61.7Low65.5Low3 Ų360.8 Ų60.82%0.01835%0.349CS..EExtended strand (participates in β ladder)trans-73.1111.9174.2175.60000109.4K392 P395 I396 V398 H413 D432 V433K392-V411 HydrophobicContact CD-CG1 4.25Å; P395-V411 WeakPolarHBondContact CA-O 3.41Å; I396-V411 HydrophobicContact CB-CB 4.36Å; I396-V411 PolarHBondContact N-O 3.27Å; I396-V411 PolarHBondContact O-N 2.85Å; V398-V411 HydrophobicContact CG2-CG2 3.83Å; V411-H413 WeakPolarHBondContact CG1-O 3.5Å; V411-D432 HydrophobicContact CG1-CB 3.94Å; V411-V433 VanDerWaalsContact CG1-O 3.28Å; V411-V433 WeakPolarHBondContact CG1-O 3.34Å
412V59.9Low67.1Low56 Ų5653 Ų5334%0.33931%0.309SS..EExtended strand (participates in β ladder)trans-110.4-8-177.5-68.20000113.7K392 P395 P410K392-V412 PolarHBondContact N-O 3.4Å; P395-V412 HydrophobicContact CB-CG1 3.85Å; P395-V412 HydrophobicContact CG-CG1 4.02Å; P410-V412 PolarHBondContact O-N 2.93Å
413H69.4Low68.3Low67 Ų6751.6 Ų51.631%0.3132%0.316SS..EExtended strand (participates in β ladder)trans-123148.8178.5-63.1106.7000110.9L389 R390 V411 V433L389-H413 HydrophobicContact CD1-CB 4.16Å; R390-H413 WeakPolarHBondContact O-CA 3.38Å; V411-H413 WeakPolarHBondContact CG1-O 3.5Å; H413-V433 HydrophobicContact CB-CB 3.99Å; H413-V433 HydrophobicContact CB-CG2 3.92Å; H413-V433 WeakPolarHBondContact O-CB 3.28Å; H413-V433 PolarHBondContact O-N 3.06Å
414E86.3Confident69.9Low21 Ų2153.4 Ų53.410%0.09832%0.315CS..EExtended strand (participates in β ladder)trans-133.215817062.9-172.7-170.500109.2L389 R390 K392 F431L389-E414 CarbonylContact C-O 3.56Å; L389-E414 WeakPolarHBondContact CA-O 3.45Å; L389-E414 WeakPolarHBondContact CD2-O 3.26Å; R390-E414 HydrophobicContact CB-CG 4.18Å; R390-E414 IonicContact CZ-OE1 2.84Å; R390-E414 PolarHBondContact N-O 2.92Å; R390-E414 IonicContact NE-OE1 2.72Å; R390-E414 PolarHBondContact NE-OE1 2.88Å; R390-E414 IonicContact NH2-OE1 3.21Å; R390-E414 PolarHBondContact NH2-OE1 2.66Å; R390-E414 PolarHBondContact O-N 3.01Å; K392-E414 HydrophobicContact CD-CB 4.23Å; K392-E414 HydrophobicContact CG-CB 3.96Å; K392-E414 HydrophobicContact CG-CG 3.85Å; K392-E414 IonicContact NZ-OE2 3.9Å; K392-E414 PolarHBondContact NZ-OE2 3.49Å; E414-F431 CarbonylContact C-O 3.54Å; E414-F431 VanDerWaalsContact CA-O 3.23Å; E414-F431 WeakPolarHBondContact CA-O 3.17Å
415T87Confident71.6Confident0 Ų045.4 Ų45.40%029%0.285CS..EExtended strand (participates in β ladder)trans-70156.9169.668.60000110.4I377 I387 L389 L418 S430 F431I377-T415 HydrophobicContact CD1-CG2 4.36Å; I377-T415 HydrophobicContact CG2-CG2 3.83Å; I387-T415 HydrophobicContact CG2-CG2 3.78Å; L389-T415 HydrophobicContact CD2-CG2 4.1Å; T415-L418 HydrophobicContact CG2-CD1 4.27Å; T415-S430 WeakPolarHBondContact OG1-CA 3.34Å; T415-F431 HydrophobicContact CG2-CB 4.12Å; T415-F431 PolarHBondContact N-O 3.42Å; T415-F431 PolarHBondContact OG1-N 3.32Å
416H84.8Confident73.3Confident86 Ų8645.8 Ų45.840%0.39828%0.275SS..PPolyproline II helixtrans-61.1167.6156-70.165000110.1P388 L389 L418P388-H416 VanDerWaalsContact C-ND1 3.33Å; P388-H416 HydrophobicContact CG-CB 4.19Å; P388-H416 PolarHBondContact O-N 2.68Å; P388-H416 PolarHBondContact O-ND1 3.45Å; L389-H416 PolarHBondContact O-CE1 2.93Å; H416-L418 VanDerWaalsContact O-CD2 3.32Å; H416-L418 WeakPolarHBondContact O-CD2 3.46Å; H416-L418 VanDerWaalsContact O-CG 3.29Å; H416-L418 WeakPolarHBondContact O-CG 3.41Å; H416-L418 PolarHBondContact O-N 3.29Å
417D85.9Confident74.8Confident106 Ų10645.2 Ų45.257%0.56727%0.272SS*.PPolyproline II helixtrans-56118.1172.3-67.2-10.3000111V428D417-V428 HydrophobicContact CB-CG1 3.61Å
418L85.4Confident76.8Confident1 Ų144.2 Ų44.21%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-109.4137.2178.7-47.6-176000109I354 L356 I387 T415 H416 V420 V428 L429 F431I354-L418 HydrophobicContact CG2-CB 4.04Å; I354-L418 HydrophobicContact CG2-CD1 3.75Å; I354-L418 HydrophobicContact CG2-CG 4.42Å; L356-L418 HydrophobicContact CD2-CD2 3.89Å; I387-L418 HydrophobicContact CG2-CD1 4.05Å; I387-L418 HydrophobicContact CG2-CD2 4.18Å; T415-L418 HydrophobicContact CG2-CD1 4.27Å; H416-L418 VanDerWaalsContact O-CD2 3.32Å; H416-L418 WeakPolarHBondContact O-CD2 3.46Å; H416-L418 VanDerWaalsContact O-CG 3.29Å; H416-L418 WeakPolarHBondContact O-CG 3.41Å; H416-L418 PolarHBondContact O-N 3.29Å; L418-V420 HydrophobicContact CB-CG2 4.27Å; L418-V428 CarbonylContact O-C 3.45Å; L418-V428 WeakPolarHBondContact O-CA 3.28Å; L418-L429 WeakPolarHBondContact CB-O 3.39Å; L418-L429 PolarHBondContact N-O 2.94Å; L418-L429 PolarHBondContact O-N 3.37Å; L418-F431 HydrophobicContact CD1-CD2 4.06Å; L418-F431 HydrophobicContact CD1-CE2 4.22Å
419I86.9Confident78.6Confident72 Ų7243.2 Ų43.237%0.36925%0.245SC..EExtended strand (participates in β ladder)trans-80.5122.6169.3-59.5168.8000107.3H355 R426 E427 V428H355-I419 HydrophobicContact CB-CB 4.23Å; H355-I419 PolarHBondContact N-O 2.82Å; I419-R426 HydrophobicContact CG2-CG 4.09Å; I419-E427 WeakPolarHBondContact CA-O 3.32Å; I419-V428 HydrophobicContact CG1-CG2 4.32Å
420V89.4Confident80.5Confident3 Ų344.2 Ų44.22%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-121.3127.5-175.9-1770000109.5L352 Q353 I354 L418 R426 E427 L429 F431L352-V420 HydrophobicContact CB-CG1 4.11Å; L352-V420 HydrophobicContact CD1-CG1 4.02Å; L352-V420 HydrophobicContact CD2-CG1 3.96Å; L352-V420 HydrophobicContact CG-CG1 4.25Å; Q353-V420 WeakPolarHBondContact O-CA 3.33Å; I354-V420 HydrophobicContact CG1-CG2 4.38Å; L418-V420 HydrophobicContact CB-CG2 4.27Å; V420-R426 WeakPolarHBondContact O-CA 3.44Å; V420-E427 PolarHBondContact N-O 2.8Å; V420-E427 PolarHBondContact O-N 3.16Å; V420-L429 HydrophobicContact CB-CD1 4.33Å; V420-L429 HydrophobicContact CG2-CB 4.14Å; V420-L429 HydrophobicContact CG2-CD1 4.31Å; V420-F431 HydrophobicContact CG2-CE2 4.11Å; V420-F431 HydrophobicContact CG2-CZ 4.34Å
421D85Confident82.5Confident4 Ų441.3 Ų41.32%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-109141171.1-58.1-20.7000111.6Q353 H355 H425 R426 M475Q353-D421 HydrophobicContact CB-CB 4.2Å; Q353-D421 PolarHBondContact N-O 3.22Å; Q353-D421 PolarHBondContact O-N 3.42Å; H355-D421 IonicContact CD2-OD2 2.82Å; H355-D421 IonicContact CE1-OD2 3.49Å; H355-D421 IonicContact NE2-OD1 3.16Å; H355-D421 IonicContact NE2-OD2 3.6Å; H355-D421 PolarHBondContact NE2-OD2 2.81Å; D421-H425 CarbonylContact C-O 3.48Å; D421-H425 VanDerWaalsContact CA-O 3.31Å; D421-H425 WeakPolarHBondContact CA-O 3.18Å; D421-R426 VanDerWaalsContact OD1-CB 3.26Å; D421-R426 WeakPolarHBondContact OD1-CB 3.24Å; D421-R426 VanDerWaalsContact OD1-CG 3.25Å; D421-R426 WeakPolarHBondContact OD1-CG 3.42Å; D421-R426 IonicContact OD1-CZ 3.38Å; D421-R426 IonicContact OD1-NE 2.76Å; D421-R426 PolarHBondContact OD1-NE 2.99Å; D421-R426 IonicContact OD1-NH2 2.69Å; D421-R426 PolarHBondContact OD1-NH2 2.89Å; D421-R426 IonicContact OD2-CZ 3.28Å; D421-R426 IonicContact OD2-NE 3.49Å; D421-R426 IonicContact OD2-NH2 3.42Å; D421-R426 PolarHBondContact OD2-NH2 3.49Å; D421-M475 HydrophobicContact CB-CE 4.29Å; D421-M475 WeakPolarHBondContact OD2-CE 3.31Å
422L85.1Confident83.8Confident21 Ų2142.2 Ų42.211%0.1123%0.234CC..EExtended strand (participates in β ladder)trans-136.583.4172.1176.851.6000108.8V350 M351 L352 D424 H425 W447 I462 F464V350-L422 HydrophobicContact CB-CD1 3.85Å; V350-L422 HydrophobicContact CB-CD2 4.27Å; V350-L422 HydrophobicContact CG2-CD1 4.27Å; V350-L422 HydrophobicContact CG2-CD2 4.04Å; M351-L422 WeakPolarHBondContact O-CD1 3.07Å; L352-L422 HydrophobicContact CD2-CB 3.94Å; L352-L422 HydrophobicContact CD2-CD1 4.3Å; L352-L422 HydrophobicContact CD2-CD2 4.03Å; L352-L422 HydrophobicContact CD2-CG 4.31Å; L422-D424 PolarHBondContact O-N 2.68Å; L422-H425 PolarHBondContact N-O 2.94Å; L422-H425 WeakPolarHBondContact O-CB 3.49Å; L422-H425 PolarHBondContact O-N 2.77Å; L422-W447 HydrophobicContact CD2-CH2 4.14Å; L422-W447 HydrophobicContact CD2-CZ2 4.39Å; L422-I462 HydrophobicContact CD2-CG2 4.49Å; L422-F464 HydrophobicContact CD2-CE2 3.7Å; L422-F464 HydrophobicContact CD2-CZ 3.55Å; L422-F464 HydrophobicContact CG-CE2 3.94Å; L422-F464 HydrophobicContact CG-CZ 4.3Å
423G81.3Confident84.9Confident61 Ų6140.1 Ų40.163%0.62922%0.221SC*.THydrogen-bonded Turntrans75.7-121.2-173.900000111.9
424D76.6Confident85.5Confident83 Ų8337.7 Ų37.744%0.44421%0.211SC..THydrogen-bonded Turntrans-89.3-4.2174.969.4-38.7000113.6L422 M475L422-D424 PolarHBondContact O-N 2.68Å; D424-M475 PolarHBondContact O-N 3.42Å
425H81.4Confident85Confident2 Ų242.7 Ų42.71%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-88.1124.7174.7-175.3102.1000110.2D421 L422 E427 H451 F464 C473D421-H425 CarbonylContact C-O 3.48Å; D421-H425 VanDerWaalsContact CA-O 3.31Å; D421-H425 WeakPolarHBondContact CA-O 3.18Å; L422-H425 PolarHBondContact N-O 2.94Å; L422-H425 WeakPolarHBondContact O-CB 3.49Å; L422-H425 PolarHBondContact O-N 2.77Å; H425-E427 IonicContact CD2-OE1 3.86Å; H425-E427 PolarHBondContact CD2-OE1 3.14Å; H425-E427 IonicContact CE1-OE1 3.18Å; H425-E427 IonicContact NE2-OE1 3.88Å; H425-E427 PolarHBondContact NE2-OE1 3.29Å; H425-H451 AromaticContact CE1-CE1 3.85Å; H425-H451 AromaticContact CE1-ND1 3.46Å; H425-H451 PolarHBondContact CE1-ND1 2.87Å; H425-H451 AromaticContact NE2-CE1 3.92Å; H425-H451 AromaticContact NE2-ND1 3.92Å; H425-F464 HydrophobicContact CB-CD2 3.91Å; H425-F464 HydrophobicContact CB-CE2 4.33Å; H425-F464 HydrophobicContact CB-CG 4.32Å; H425-F464 AromaticContact CE1-CD1 3.92Å; H425-F464 AromaticContact ND1-CD1 3.78Å; H425-F464 AromaticContact ND1-CG 3.63Å; H425-C473 CarbonylContact C-O 3.59Å; H425-C473 WeakPolarHBondContact CA-O 3.2Å; H425-C473 WeakPolarHBondContact CE1-CB 3.21Å; H425-C473 VanDerWaalsContact CE1-SG 3.59Å; H425-C473 VanDerWaalsContact ND1-CB 3.26Å; H425-C473 WeakPolarHBondContact ND1-CB 3.19Å
426R84.7Confident84.4Confident97 Ų9743.7 Ų43.737%0.36624%0.241SC..EExtended strand (participates in β ladder)trans-129.9134.5177.5168.7170-71174.11.7109.2I419 V420 D421 C473 M475I419-R426 HydrophobicContact CG2-CG 4.09Å; V420-R426 WeakPolarHBondContact O-CA 3.44Å; D421-R426 VanDerWaalsContact OD1-CB 3.26Å; D421-R426 WeakPolarHBondContact OD1-CB 3.24Å; D421-R426 VanDerWaalsContact OD1-CG 3.25Å; D421-R426 WeakPolarHBondContact OD1-CG 3.42Å; D421-R426 IonicContact OD1-CZ 3.38Å; D421-R426 IonicContact OD1-NE 2.76Å; D421-R426 PolarHBondContact OD1-NE 2.99Å; D421-R426 IonicContact OD1-NH2 2.69Å; D421-R426 PolarHBondContact OD1-NH2 2.89Å; D421-R426 IonicContact OD2-CZ 3.28Å; D421-R426 IonicContact OD2-NE 3.49Å; D421-R426 IonicContact OD2-NH2 3.42Å; D421-R426 PolarHBondContact OD2-NH2 3.49Å; R426-C473 PolarHBondContact N-O 3.06Å; R426-C473 CarbonylContact O-C 3.56Å; R426-C473 WeakPolarHBondContact O-CA 3.45Å; R426-M475 HydrophobicContact CB-CG 4.21Å
427E86.6Confident83.5Confident26 Ų2644.5 Ų44.512%0.12125%0.254CS..EExtended strand (participates in β ladder)trans-151.6177.2176.758.1177.6133.200112.3I419 V420 H425 L429 W447 H451I419-E427 WeakPolarHBondContact CA-O 3.32Å; V420-E427 PolarHBondContact N-O 2.8Å; V420-E427 PolarHBondContact O-N 3.16Å; H425-E427 IonicContact CD2-OE1 3.86Å; H425-E427 PolarHBondContact CD2-OE1 3.14Å; H425-E427 IonicContact CE1-OE1 3.18Å; H425-E427 IonicContact NE2-OE1 3.88Å; H425-E427 PolarHBondContact NE2-OE1 3.29Å; E427-L429 HydrophobicContact CG-CD1 3.99Å; E427-L429 HydrophobicContact CG-CG 3.91Å; E427-L429 WeakPolarHBondContact OE2-CD2 3.21Å; E427-W447 PolarHBondContact OE1-NE1 3.41Å; E427-H451 IonicContact OE1-CE1 3.97Å; E427-H451 IonicContact OE1-NE2 3.63Å; E427-H451 IonicContact OE2-CE1 2.72Å; E427-H451 PolarHBondContact OE2-CE1 3.01Å; E427-H451 VanDerWaalsContact OE2-CE1 3.28Å; E427-H451 IonicContact OE2-NE2 2.82Å; E427-H451 PolarHBondContact OE2-NE2 3.41Å; E427-H451 VanDerWaalsContact OE2-NE2 3.14Å
428V86.1Confident83Confident90 Ų9047.7 Ų47.755%0.54526%0.264SS..EExtended strand (participates in β ladder)trans-112.6119175.1-179.80000108.1D417 L418 I419D417-V428 HydrophobicContact CB-CG1 3.61Å; L418-V428 CarbonylContact O-C 3.45Å; L418-V428 WeakPolarHBondContact O-CA 3.28Å; I419-V428 HydrophobicContact CG1-CG2 4.32Å
429L86.9Confident82.9Confident21 Ų2149.3 Ų49.311%0.1127%0.271CS..EExtended strand (participates in β ladder)trans-130.6144.3-175.9-71.2174.7000111.7L418 V420 E427 F431 L443L418-L429 WeakPolarHBondContact CB-O 3.39Å; L418-L429 PolarHBondContact N-O 2.94Å; L418-L429 PolarHBondContact O-N 3.37Å; V420-L429 HydrophobicContact CB-CD1 4.33Å; V420-L429 HydrophobicContact CG2-CB 4.14Å; V420-L429 HydrophobicContact CG2-CD1 4.31Å; E427-L429 HydrophobicContact CG-CD1 3.99Å; E427-L429 HydrophobicContact CG-CG 3.91Å; E427-L429 WeakPolarHBondContact OE2-CD2 3.21Å; L429-F431 HydrophobicContact CB-CE2 3.95Å; L429-F431 HydrophobicContact CB-CZ 4.19Å; L429-F431 HydrophobicContact CD1-CZ 4.16Å; L429-L443 HydrophobicContact CD1-CD2 4.49Å
430S90.6Very high83Confident47 Ų4747.9 Ų47.933%0.32927%0.266SS..  trans-109.2153.7161.558.30000110.2T415T415-S430 WeakPolarHBondContact OG1-CA 3.34Å
431F91.5Very high83.2Confident1 Ų147.7 Ų47.70%0.00427%0.265CS..  trans-125.7135.9-178.4-62.7-95.8000111N375 I377 E414 T415 L418 V420 L429 V441 L443N375-F431 HydrophobicContact CB-CD1 3.8Å; N375-F431 HydrophobicContact CB-CE1 4.11Å; I377-F431 HydrophobicContact CB-CB 3.65Å; I377-F431 HydrophobicContact CB-CG 4.21Å; I377-F431 HydrophobicContact CG2-CB 3.57Å; E414-F431 CarbonylContact C-O 3.54Å; E414-F431 VanDerWaalsContact CA-O 3.23Å; E414-F431 WeakPolarHBondContact CA-O 3.17Å; T415-F431 HydrophobicContact CG2-CB 4.12Å; T415-F431 PolarHBondContact N-O 3.42Å; T415-F431 PolarHBondContact OG1-N 3.32Å; L418-F431 HydrophobicContact CD1-CD2 4.06Å; L418-F431 HydrophobicContact CD1-CE2 4.22Å; V420-F431 HydrophobicContact CG2-CE2 4.11Å; V420-F431 HydrophobicContact CG2-CZ 4.34Å; L429-F431 HydrophobicContact CB-CE2 3.95Å; L429-F431 HydrophobicContact CB-CZ 4.19Å; L429-F431 HydrophobicContact CD1-CZ 4.16Å; F431-V441 HydrophobicContact CD1-CG1 3.96Å; F431-V441 HydrophobicContact CE1-CG1 3.45Å; F431-V441 VanDerWaalsContact CE1-CG1 3.45Å; F431-V441 HydrophobicContact CZ-CG1 4.18Å; F431-L443 HydrophobicContact CE1-CD2 3.86Å; F431-L443 HydrophobicContact CZ-CD2 4.39Å
432D89Confident83.5Confident22 Ų2247.9 Ų47.912%0.11827%0.266CS..EExtended strand (participates in β ladder)trans-72.7125.9173-83.1-37.4000110.1N375 F376 I377 K392 V411 T434N375-D432 PolarHBondContact O-N 3.09Å; F376-D432 CarbonylContact C-O 3.55Å; F376-D432 VanDerWaalsContact CA-O 3.25Å; F376-D432 WeakPolarHBondContact CA-O 3.36Å; F376-D432 HydrophobicContact CD1-CB 3.55Å; F376-D432 HydrophobicContact CE1-CB 3.75Å; I377-D432 PolarHBondContact N-O 3.29Å; K392-D432 VanDerWaalsContact CE-OD1 3.27Å; K392-D432 WeakPolarHBondContact CE-OD1 3.48Å; K392-D432 IonicContact NZ-OD1 3.54Å; K392-D432 PolarHBondContact NZ-OD1 2.86Å; V411-D432 HydrophobicContact CG1-CB 3.94Å; D432-T434 PolarHBondContact O-N 2.64Å
433V83Confident83.8Confident12 Ų1247 Ų477%0.07326%0.261CS..EExtended strand (participates in β ladder)trans-85.2119.3-173.7-174.90000110.8I377 H379 L389 V411 H413I377-V433 HydrophobicContact CG2-CG2 3.99Å; I377-V433 WeakPolarHBondContact O-CA 3.17Å; H379-V433 HydrophobicContact CB-CG1 3.86Å; L389-V433 HydrophobicContact CD1-CG2 4.27Å; L389-V433 HydrophobicContact CD2-CG2 3.49Å; L389-V433 VanDerWaalsContact CD2-CG2 3.49Å; V411-V433 VanDerWaalsContact CG1-O 3.28Å; V411-V433 WeakPolarHBondContact CG1-O 3.34Å; H413-V433 HydrophobicContact CB-CB 3.99Å; H413-V433 HydrophobicContact CB-CG2 3.92Å; H413-V433 WeakPolarHBondContact O-CB 3.28Å; H413-V433 PolarHBondContact O-N 3.06Å
434T82.6Confident84.2Confident16 Ų1644 Ų4410%0.09823%0.231CC..EExtended strand (participates in β ladder)trans-133.1180-179.2-165.60000111.3F376 I377 D378 H379 I406 D432F376-T434 HydrophobicContact CB-CG2 3.81Å; F376-T434 HydrophobicContact CD1-CG2 4.16Å; F376-T434 HydrophobicContact CG-CG2 4.19Å; I377-T434 PolarHBondContact O-N 3.28Å; D378-T434 CarbonylContact C-O 3.58Å; D378-T434 WeakPolarHBondContact CA-O 3.36Å; H379-T434 PolarHBondContact N-O 2.87Å; I406-T434 WeakPolarHBondContact CD1-OG1 3.44Å; D432-T434 PolarHBondContact O-N 2.64Å
435Q75.1Confident84.4Confident125 Ų12542.8 Ų42.858%0.58423%0.226SC*.  trans-95.5111.2166.1-67.6178.5-2.600109.2
436S75.2Confident84.3Confident21 Ų2150.4 Ų50.415%0.14726%0.255CS..  trans-138.668.5-179.2-177.70000110D378 F438 F439D378-S436 PolarHBondContact OD1-N 3.42Å; S436-F438 PolarHBondContact O-N 3.37Å; S436-F439 WeakPolarHBondContact CB-O 3.46Å; S436-F439 CarbonylContact O-C 3.53Å; S436-F439 PolarHBondContact O-N 3.15Å; S436-F439 PolarHBondContact OG-O 2.91Å
437P65.5Low84.4Confident104 Ų10446 Ų4668%0.67524%0.239SC*.THydrogen-bonded Turntrans-65.4-16.2-169.226-35.9000114.5
438F74.3Confident84.4Confident173 Ų17345.9 Ų45.976%0.75924%0.238SC*.THydrogen-bonded Turntrans-94.9-25.6179-62.4-72000113.9S436S436-F438 PolarHBondContact O-N 3.37Å
439F83.9Confident84.4Confident35 Ų3545.7 Ų45.715%0.15424%0.241CC..  trans-137.6100.1-176.9-55.2-59.6000109H347 Q349 M367 S436 V441 V442H347-F439 HydrophobicContact CB-CZ 4.45Å; H347-F439 AromaticContact CE1-CZ 3.79Å; H347-F439 AromaticContact CG-CZ 3.85Å; H347-F439 AromaticContact ND1-CZ 3.47Å; H347-F439 WeakPolarHBondContact ND1-CZ 3.32Å; Q349-F439 VanDerWaalsContact NE2-CE1 3.28Å; M367-F439 HydrophobicContact CB-CB 4.08Å; M367-F439 HydrophobicContact CB-CD1 4.19Å; M367-F439 HydrophobicContact CB-CG 3.99Å; M367-F439 HydrophobicContact CE-CB 4.48Å; M367-F439 HydrophobicContact CE-CD2 3.47Å; M367-F439 VanDerWaalsContact CE-CD2 3.47Å; M367-F439 HydrophobicContact CE-CE2 3.94Å; M367-F439 HydrophobicContact CE-CG 4.08Å; M367-F439 HydrophobicContact SD-CD1 4.21Å; M367-F439 HydrophobicContact SD-CD2 3.44Å; M367-F439 WeakPolarHBondContact SD-CD2 3.44Å; M367-F439 HydrophobicContact SD-CE1 4.26Å; M367-F439 HydrophobicContact SD-CE2 3.46Å; M367-F439 WeakPolarHBondContact SD-CE2 3.41Å; M367-F439 HydrophobicContact SD-CG 3.84Å; M367-F439 HydrophobicContact SD-CZ 3.9Å; S436-F439 WeakPolarHBondContact CB-O 3.46Å; S436-F439 CarbonylContact O-C 3.53Å; S436-F439 PolarHBondContact O-N 3.15Å; S436-F439 PolarHBondContact OG-O 2.91Å; F439-V441 PolarHBondContact O-N 3.15Å; F439-V441 VanDerWaalsContact O-N 3.14Å; F439-V442 HydrophobicContact CB-CG2 4.17Å
440P88.8Confident84.3Confident41 Ų4147.8 Ų47.827%0.26626%0.255SS..SBendtrans-60.9-25.7-173.8-2735.3000114.5V364 I377 D378 Y381V364-P440 HydrophobicContact CG2-CB 3.92Å; V364-P440 HydrophobicContact CG2-CG 4.43Å; I377-P440 CarbonylContact C-O 3.58Å; I377-P440 WeakPolarHBondContact CA-O 3.43Å; I377-P440 WeakPolarHBondContact CG1-O 3.39Å; D378-P440 PolarHBondContact N-O 3.21Å; Y381-P440 HydrophobicContact CD1-CB 4.24Å; Y381-P440 HydrophobicContact CD2-CB 3.74Å; Y381-P440 HydrophobicContact CD2-CG 4.26Å; Y381-P440 HydrophobicContact CE2-CB 4.28Å; Y381-P440 HydrophobicContact CG-CB 3.72Å
441V93.4Very high83.9Confident0 Ų045.8 Ų45.80%024%0.24CC..EExtended strand (participates in β ladder)trans-134.4139.6172.8177.70000109.1L352 I354 V364 A366 M367 F376 I377 F431 F439L352-V441 HydrophobicContact CD1-CG1 4Å; I354-V441 HydrophobicContact CD1-CG2 4.48Å; V364-V441 HydrophobicContact CG1-CG2 3.96Å; V364-V441 HydrophobicContact CG2-CG2 4.07Å; A366-V441 CarbonylContact C-O 3.49Å; A366-V441 WeakPolarHBondContact CA-O 3.33Å; A366-V441 HydrophobicContact CB-CB 3.83Å; A366-V441 HydrophobicContact CB-CG1 3.68Å; M367-V441 PolarHBondContact N-O 3.29Å; F376-V441 CarbonylContact O-C 3.53Å; F376-V441 WeakPolarHBondContact O-CA 3.41Å; I377-V441 HydrophobicContact CD1-CG2 4.28Å; I377-V441 HydrophobicContact CG1-CG2 4.05Å; F431-V441 HydrophobicContact CD1-CG1 3.96Å; F431-V441 HydrophobicContact CE1-CG1 3.45Å; F431-V441 VanDerWaalsContact CE1-CG1 3.45Å; F431-V441 HydrophobicContact CZ-CG1 4.18Å; F439-V441 PolarHBondContact O-N 3.15Å; F439-V441 VanDerWaalsContact O-N 3.14Å
442V92.7Very high83.6Confident8 Ų851.3 Ų51.35%0.04827%0.27CS..EExtended strand (participates in β ladder)trans-126.6127.9171.8-1740000108.9M367 D369 A372 N375 F376 F439M367-V442 HydrophobicContact CE-CG1 4.04Å; M367-V442 HydrophobicContact CE-CG2 3.99Å; M367-V442 WeakPolarHBondContact O-CA 3.33Å; D369-V442 HydrophobicContact CB-CG1 3.8Å; A372-V442 HydrophobicContact CB-CG1 3.96Å; N375-V442 CarbonylContact C-O 3.54Å; N375-V442 WeakPolarHBondContact CA-O 3.43Å; F376-V442 HydrophobicContact CB-CB 4.33Å; F376-V442 PolarHBondContact N-O 3.05Å; F376-V442 PolarHBondContact O-N 2.88Å; F439-V442 HydrophobicContact CB-CG2 4.17Å
443L90.7Very high83.5Confident1 Ų151 Ų511%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-100.8117.9172.9-67173.3000108.9V350 L352 A366 M367 I368 D369 L429 F431 W447V350-L443 HydrophobicContact CG2-CD1 4.3Å; L352-L443 HydrophobicContact CD1-CD1 4.17Å; L352-L443 HydrophobicContact CD2-CD1 4.24Å; A366-L443 HydrophobicContact CB-CD1 4.3Å; A366-L443 HydrophobicContact CB-CG 4.35Å; M367-L443 PolarHBondContact O-N 2.81Å; I368-L443 HydrophobicContact CD1-CB 4.01Å; I368-L443 HydrophobicContact CD1-CD1 3.87Å; D369-L443 PolarHBondContact N-O 3.36Å; L429-L443 HydrophobicContact CD1-CD2 4.49Å; F431-L443 HydrophobicContact CE1-CD2 3.86Å; F431-L443 HydrophobicContact CZ-CD2 4.39Å; L443-W447 HydrophobicContact CB-CD2 4.15Å; L443-W447 HydrophobicContact CB-CE3 3.78Å; L443-W447 HydrophobicContact CB-CZ3 4.21Å; L443-W447 HydrophobicContact CD1-CD2 4.13Å; L443-W447 HydrophobicContact CD1-CE3 4.02Å; L443-W447 HydrophobicContact CD1-CH2 3.79Å; L443-W447 HydrophobicContact CD1-CZ2 3.93Å; L443-W447 HydrophobicContact CD1-CZ3 3.85Å; L443-W447 HydrophobicContact CD2-CD2 4.12Å; L443-W447 HydrophobicContact CD2-CG 4.19Å; L443-W447 HydrophobicContact CG-CD2 4.37Å; L443-W447 HydrophobicContact CG-CE3 4.35Å
444G88.9Confident83.6Confident0 Ų054.9 Ų54.90%029%0.289CS..  trans-96.8-178.6-168.600000114.7D369 A372 G374 N375 R446 W447 L448D369-G444 WeakPolarHBondContact O-CA 3.18Å; A372-G444 CarbonylContact O-C 3.52Å; A372-G444 WeakPolarHBondContact O-CA 3.41Å; G374-G444 WeakPolarHBondContact O-CA 3.35Å; G374-G444 PolarHBondContact O-N 2.93Å; N375-G444 PolarHBondContact OD1-N 3.4Å; G444-R446 PolarHBondContact O-N 3Å; G444-W447 PolarHBondContact O-N 3.35Å; G444-W447 VanDerWaalsContact O-N 3.13Å; G444-L448 PolarHBondContact O-N 3.38Å
445V81.9Confident83.9Confident56 Ų5655.8 Ų55.834%0.33929%0.293SS..Hα-helixtrans-56.7-33.6-177.376.50000113.4A372 L448 S449A372-V445 WeakPolarHBondContact O-CG1 3.43Å; A372-V445 PolarHBondContact O-N 2.82Å; V445-L448 PolarHBondContact O-N 3.01Å; V445-S449 VanDerWaalsContact O-CB 3.28Å; V445-S449 WeakPolarHBondContact O-CB 3.41Å; V445-S449 PolarHBondContact O-N 3.27Å; V445-S449 PolarHBondContact O-OG 3.26Å
446R79.1Confident84.4Confident162 Ų16253 Ų5361%0.61129%0.285SS*.Hα-helixtrans-60.8-49.3176.1-80.2-177.6173.5122.2-14.1112.3S373 G444 S449 T450S373-R446 WeakPolarHBondContact O-CD 3.34Å; S373-R446 WeakPolarHBondContact O-CG 3.47Å; S373-R446 PolarHBondContact O-NH1 2.8Å; G444-R446 PolarHBondContact O-N 3Å; R446-S449 PolarHBondContact O-N 2.91Å; R446-T450 PolarHBondContact O-N 2.91Å; R446-T450 VanDerWaalsContact O-N 3.1Å; R446-T450 PolarHBondContact O-OG1 3.09Å; R446-T450 VanDerWaalsContact O-OG1 3.09Å
447W87.6Confident84.7Confident6 Ų660 Ų602%0.02331%0.308CS..Hα-helixtrans-64.8-46.9176.5-179.584.2000110.6I368 N375 L422 E427 L443 G444 S449 T450 H451 I462 F464I368-W447 HydrophobicContact CD1-CH2 4.48Å; I368-W447 HydrophobicContact CD1-CZ3 3.95Å; N375-W447 VanDerWaalsContact OD1-CB 3.25Å; N375-W447 WeakPolarHBondContact OD1-CB 3.45Å; L422-W447 HydrophobicContact CD2-CH2 4.14Å; L422-W447 HydrophobicContact CD2-CZ2 4.39Å; E427-W447 PolarHBondContact OE1-NE1 3.41Å; L443-W447 HydrophobicContact CB-CD2 4.15Å; L443-W447 HydrophobicContact CB-CE3 3.78Å; L443-W447 HydrophobicContact CB-CZ3 4.21Å; L443-W447 HydrophobicContact CD1-CD2 4.13Å; L443-W447 HydrophobicContact CD1-CE3 4.02Å; L443-W447 HydrophobicContact CD1-CH2 3.79Å; L443-W447 HydrophobicContact CD1-CZ2 3.93Å; L443-W447 HydrophobicContact CD1-CZ3 3.85Å; L443-W447 HydrophobicContact CD2-CD2 4.12Å; L443-W447 HydrophobicContact CD2-CG 4.19Å; L443-W447 HydrophobicContact CG-CD2 4.37Å; L443-W447 HydrophobicContact CG-CE3 4.35Å; G444-W447 PolarHBondContact O-N 3.35Å; G444-W447 VanDerWaalsContact O-N 3.13Å; W447-S449 PolarHBondContact O-N 3.16Å; W447-T450 PolarHBondContact O-N 3.31Å; W447-T450 VanDerWaalsContact O-N 3.15Å; W447-H451 AromaticContact CD1-CD2 3.32Å; W447-H451 AromaticContact CD1-NE2 3.28Å; W447-H451 VanDerWaalsContact CD1-NE2 3.28Å; W447-H451 AromaticContact CD2-CD2 3.74Å; W447-H451 AromaticContact CE2-CD2 3.47Å; W447-H451 VanDerWaalsContact CE2-CD2 3.47Å; W447-H451 AromaticContact CE2-NE2 3.97Å; W447-H451 AromaticContact CG-CD2 3.67Å; W447-H451 AromaticContact NE1-CD2 3.19Å; W447-H451 PolarHBondContact NE1-CD2 3.46Å; W447-H451 AromaticContact NE1-NE2 3.2Å; W447-H451 PolarHBondContact NE1-NE2 3.05Å; W447-H451 PolarHBondContact O-CD2 3.32Å; W447-H451 PolarHBondContact O-N 3.46Å; W447-I462 HydrophobicContact CH2-CD1 4.19Å; W447-I462 HydrophobicContact CZ3-CD1 4.28Å; W447-F464 AromaticContact CH2-CE1 3.75Å; W447-F464 HydrophobicContact CH2-CE1 3.75Å; W447-F464 AromaticContact CH2-CZ 3.71Å; W447-F464 HydrophobicContact CH2-CZ 3.71Å; W447-F464 HydrophobicContact CZ2-CE1 4Å; W447-F464 HydrophobicContact CZ2-CZ 4.1Å
448L85.3Confident85.4Confident22 Ų2260.5 Ų60.512%0.11531%0.314CS..Hα-helixtrans-56.5-37.4176.1-69.1169.6000113.2I368 G444 V445 D452 P453 I455I368-L448 HydrophobicContact CG2-CD1 4.02Å; I368-L448 HydrophobicContact CG2-CD2 3.82Å; I368-L448 HydrophobicContact CG2-CG 4.45Å; G444-L448 PolarHBondContact O-N 3.38Å; V445-L448 PolarHBondContact O-N 3.01Å; L448-D452 WeakPolarHBondContact O-CA 3.28Å; L448-D452 PolarHBondContact O-N 3.34Å; L448-P453 HydrophobicContact CD2-CG 3.93Å; L448-P453 VanDerWaalsContact O-CD 3.28Å; L448-P453 WeakPolarHBondContact O-CD 3.29Å; L448-I455 HydrophobicContact CD2-CD1 4.24Å
449S85.6Confident85.8Confident86 Ų8656.7 Ų56.760%0.60131%0.305SS*.Hα-helixtrans-75.9-32.9-179.6-55.10000112.6V445 R446 W447V445-S449 VanDerWaalsContact O-CB 3.28Å; V445-S449 WeakPolarHBondContact O-CB 3.41Å; V445-S449 PolarHBondContact O-N 3.27Å; V445-S449 PolarHBondContact O-OG 3.26Å; R446-S449 PolarHBondContact O-N 2.91Å; W447-S449 PolarHBondContact O-N 3.16Å
450T85Confident85.4Confident66 Ų6661 Ų6141%0.40532%0.32SS..Hα-helixtrans-69.5-42.5175.3-63.20000111.8R446 W447 Y468R446-T450 PolarHBondContact O-N 2.91Å; R446-T450 VanDerWaalsContact O-N 3.1Å; R446-T450 PolarHBondContact O-OG1 3.09Å; R446-T450 VanDerWaalsContact O-OG1 3.09Å; W447-T450 PolarHBondContact O-N 3.31Å; W447-T450 VanDerWaalsContact O-N 3.15Å; T450-Y468 HydrophobicContact CG2-CD1 3.97Å; T450-Y468 HydrophobicContact CG2-CE1 3.52Å; T450-Y468 HydrophobicContact CG2-CE2 4.3Å
451H83.6Confident85Confident4 Ų461.2 Ų61.22%0.01932%0.323CS..Hα-helixtrans-91.8-17.3-174.4-61.7-66.2000114.1H425 E427 W447 F464 S466 Y468 C469H425-H451 AromaticContact CE1-CE1 3.85Å; H425-H451 AromaticContact CE1-ND1 3.46Å; H425-H451 PolarHBondContact CE1-ND1 2.87Å; H425-H451 AromaticContact NE2-CE1 3.92Å; H425-H451 AromaticContact NE2-ND1 3.92Å; E427-H451 IonicContact OE1-CE1 3.97Å; E427-H451 IonicContact OE1-NE2 3.63Å; E427-H451 IonicContact OE2-CE1 2.72Å; E427-H451 PolarHBondContact OE2-CE1 3.01Å; E427-H451 VanDerWaalsContact OE2-CE1 3.28Å; E427-H451 IonicContact OE2-NE2 2.82Å; E427-H451 PolarHBondContact OE2-NE2 3.41Å; E427-H451 VanDerWaalsContact OE2-NE2 3.14Å; W447-H451 AromaticContact CD1-CD2 3.32Å; W447-H451 AromaticContact CD1-NE2 3.28Å; W447-H451 VanDerWaalsContact CD1-NE2 3.28Å; W447-H451 AromaticContact CD2-CD2 3.74Å; W447-H451 AromaticContact CE2-CD2 3.47Å; W447-H451 VanDerWaalsContact CE2-CD2 3.47Å; W447-H451 AromaticContact CE2-NE2 3.97Å; W447-H451 AromaticContact CG-CD2 3.67Å; W447-H451 AromaticContact NE1-CD2 3.19Å; W447-H451 PolarHBondContact NE1-CD2 3.46Å; W447-H451 AromaticContact NE1-NE2 3.2Å; W447-H451 PolarHBondContact NE1-NE2 3.05Å; W447-H451 PolarHBondContact O-CD2 3.32Å; W447-H451 PolarHBondContact O-N 3.46Å; H451-F464 HydrophobicContact CB-CD1 4.19Å; H451-F464 HydrophobicContact CB-CE1 4.24Å; H451-S466 VanDerWaalsContact O-CB 3.3Å; H451-S466 WeakPolarHBondContact O-CB 3.42Å; H451-S466 PolarHBondContact O-OG 3.02Å; H451-Y468 AromaticContact CE1-CE1 3.69Å; H451-Y468 AromaticContact ND1-CD1 3.82Å; H451-Y468 AromaticContact ND1-CE1 3.77Å; H451-C469 VanDerWaalsContact CB-SG 3.57Å; H451-C469 PolarHBondContact ND1-SG 3.04Å; H451-C469 VanDerWaalsContact ND1-SG 3.36Å; H451-C469 PolarHBondContact O-SG 3.13Å; H451-C469 VanDerWaalsContact O-SG 3.41Å
452D84.7Confident84.6Confident117 Ų11762.7 Ų62.763%0.62633%0.331SS*.  trans37.659.6-176.5-16530.4000113.4L448L448-D452 WeakPolarHBondContact O-CA 3.28Å; L448-D452 PolarHBondContact O-N 3.34Å
453P87.3Confident84.2Confident15 Ų1565.8 Ų65.810%0.09735%0.349CS..  trans-81.5139.3-169.533-34.8000112.2L448 I455 I462 V463 F464L448-P453 HydrophobicContact CD2-CG 3.93Å; L448-P453 VanDerWaalsContact O-CD 3.28Å; L448-P453 WeakPolarHBondContact O-CD 3.29Å; P453-I455 HydrophobicContact CG-CD1 4.43Å; P453-I455 HydrophobicContact CG-CG1 4.4Å; P453-I455 PolarHBondContact O-N 3.06Å; P453-I462 HydrophobicContact CB-CD1 3.88Å; P453-I462 HydrophobicContact CB-CG1 3.65Å; P453-I462 HydrophobicContact CG-CD1 3.9Å; P453-I462 HydrophobicContact CG-CG1 4.19Å; P453-V463 CarbonylContact C-O 3.53Å; P453-V463 WeakPolarHBondContact CA-O 3.21Å; P453-F464 HydrophobicContact CB-CD1 3.9Å; P453-F464 HydrophobicContact CB-CE1 3.72Å; P453-F464 HydrophobicContact CB-CZ 4.45Å; P453-F464 HydrophobicContact CG-CE1 4.37Å
454N85.1Confident83.8Confident94 Ų9466.3 Ų66.350%0.50335%0.352SS..EExtended strand (participates in β ladder)trans-72.6101173.2-91.7-58.9000110.6V463 D465N454-V463 HydrophobicContact CB-CB 4.3Å; N454-V463 PolarHBondContact N-O 3.23Å; N454-V463 PolarHBondContact O-N 3.02Å; N454-D465 PolarHBondContact ND2-OD1 3.22Å; N454-D465 PolarHBondContact ND2-OD2 2.89Å
455I88.4Confident83.4Confident36 Ų3668.9 Ų68.919%0.18537%0.365CS..EExtended strand (participates in β ladder)trans-94.9116.7178.3-62170.4000110.4L348 I368 L448 P453 W457 S461 I462L348-I455 HydrophobicContact CD2-CD1 4.27Å; L348-I455 HydrophobicContact CD2-CG2 3.57Å; I368-I455 HydrophobicContact CG2-CD1 4.27Å; L448-I455 HydrophobicContact CD2-CD1 4.24Å; P453-I455 HydrophobicContact CG-CD1 4.43Å; P453-I455 HydrophobicContact CG-CG1 4.4Å; P453-I455 PolarHBondContact O-N 3.06Å; I455-W457 HydrophobicContact CB-CZ2 4.41Å; I455-W457 HydrophobicContact CD1-CH2 4.48Å; I455-W457 HydrophobicContact CD1-CZ2 4.29Å; I455-W457 HydrophobicContact CG2-CD2 3.71Å; I455-W457 HydrophobicContact CG2-CE3 4.06Å; I455-W457 HydrophobicContact CG2-CG 4.18Å; I455-W457 HydrophobicContact CG2-CH2 4.19Å; I455-W457 HydrophobicContact CG2-CZ2 3.84Å; I455-W457 HydrophobicContact CG2-CZ3 4.29Å; I455-S461 WeakPolarHBondContact CA-O 2.87Å; I455-I462 HydrophobicContact CD1-CD1 4.48Å; I455-I462 HydrophobicContact CG1-CD1 4.2Å; I455-I462 HydrophobicContact CG1-CG1 4.01Å
456T84.4Confident83.4Confident66 Ų6667.2 Ų67.241%0.40536%0.356SS..EExtended strand (participates in β ladder)trans-97.295.6170.7-53.90000109.5S458 T459 R460 S461T456-S458 VanDerWaalsContact C-N 3.33Å; T456-S458 PolarHBondContact O-N 3.23Å; T456-T459 VanDerWaalsContact CB-OG1 3.31Å; T456-T459 WeakPolarHBondContact CB-OG1 3.47Å; T456-T459 HydrophobicContact CG2-CG2 4.49Å; T456-T459 WeakPolarHBondContact CG2-OG1 3.48Å; T456-T459 PolarHBondContact O-N 2.89Å; T456-T459 PolarHBondContact O-OG1 3.11Å; T456-R460 WeakPolarHBondContact O-CA 3.35Å; T456-R460 PolarHBondContact O-N 3.38Å; T456-S461 PolarHBondContact N-O 2.91Å; T456-S461 PolarHBondContact O-N 2.95Å
457W82.9Confident83.4Confident169 Ų16966.4 Ų66.464%0.6436%0.359SS*.THydrogen-bonded Turntrans-59.8-35.3-173-62.198.2000114.7L348 I455 T459 R460L348-W457 HydrophobicContact CB-CZ3 4.03Å; L348-W457 HydrophobicContact CD2-CE3 4.22Å; L348-W457 HydrophobicContact CD2-CH2 4.19Å; L348-W457 HydrophobicContact CD2-CZ3 3.75Å; I455-W457 HydrophobicContact CB-CZ2 4.41Å; I455-W457 HydrophobicContact CD1-CH2 4.48Å; I455-W457 HydrophobicContact CD1-CZ2 4.29Å; I455-W457 HydrophobicContact CG2-CD2 3.71Å; I455-W457 HydrophobicContact CG2-CE3 4.06Å; I455-W457 HydrophobicContact CG2-CG 4.18Å; I455-W457 HydrophobicContact CG2-CH2 4.19Å; I455-W457 HydrophobicContact CG2-CZ2 3.84Å; I455-W457 HydrophobicContact CG2-CZ3 4.29Å; W457-T459 VanDerWaalsContact C-N 3.34Å; W457-T459 PolarHBondContact O-N 3.15Å; W457-R460 PolarHBondContact O-N 2.77Å
458S80.3Confident83.1Confident114 Ų11471 Ų7180%0.79738%0.378SS*.THydrogen-bonded Turntrans-66.4-33.8179.850.90000113.2T456T456-S458 VanDerWaalsContact C-N 3.33Å; T456-S458 PolarHBondContact O-N 3.23Å
459T81.7Confident82.9Confident93 Ų9370 Ų7057%0.57137%0.372SS*.THydrogen-bonded Turntrans-99.7-4.7176.750.80000113.1T456 W457 S461T456-T459 VanDerWaalsContact CB-OG1 3.31Å; T456-T459 WeakPolarHBondContact CB-OG1 3.47Å; T456-T459 HydrophobicContact CG2-CG2 4.49Å; T456-T459 WeakPolarHBondContact CG2-OG1 3.48Å; T456-T459 PolarHBondContact O-N 2.89Å; T456-T459 PolarHBondContact O-OG1 3.11Å; W457-T459 VanDerWaalsContact C-N 3.34Å; W457-T459 PolarHBondContact O-N 3.15Å; T459-S461 PolarHBondContact O-N 2.74Å; T459-S461 PolarHBondContact OG1-OG 3.38Å
460R76.8Confident82.7Confident125 Ų12572.1 Ų72.147%0.47237%0.367SS..THydrogen-bonded Turntrans53.832.5-175.1-59.2177173.2-150.2-8.3113.3S345 L348 T456 W457S345-R460 PolarHBondContact O-NH1 2.93Å; S345-R460 PolarHBondContact O-NH2 3.49Å; L348-R460 HydrophobicContact CD1-CB 3.73Å; L348-R460 HydrophobicContact CD1-CG 4.37Å; L348-R460 WeakPolarHBondContact CD1-O 3.22Å; T456-R460 WeakPolarHBondContact O-CA 3.35Å; T456-R460 PolarHBondContact O-N 3.38Å; W457-R460 PolarHBondContact O-N 2.77Å
461S79.1Confident82.3Confident46 Ų4676.8 Ų76.832%0.32238%0.378SS..EExtended strand (participates in β ladder)trans-102.9143.4-178.655.80000111.5I455 T456 T459I455-S461 WeakPolarHBondContact CA-O 2.87Å; T456-S461 PolarHBondContact N-O 2.91Å; T456-S461 PolarHBondContact O-N 2.95Å; T459-S461 PolarHBondContact O-N 2.74Å; T459-S461 PolarHBondContact OG1-OG 3.38Å
462I85.1Confident81.9Confident31 Ų3182.6 Ų82.616%0.15941%0.405CS..EExtended strand (participates in β ladder)trans-117.3139.5176.5-166.7164.8000108.9V350 I368 L422 W447 P453 I455 F464V350-I462 HydrophobicContact CG1-CG2 3.9Å; I368-I462 HydrophobicContact CD1-CD1 4.49Å; L422-I462 HydrophobicContact CD2-CG2 4.49Å; W447-I462 HydrophobicContact CH2-CD1 4.19Å; W447-I462 HydrophobicContact CZ3-CD1 4.28Å; P453-I462 HydrophobicContact CB-CD1 3.88Å; P453-I462 HydrophobicContact CB-CG1 3.65Å; P453-I462 HydrophobicContact CG-CD1 3.9Å; P453-I462 HydrophobicContact CG-CG1 4.19Å; I455-I462 HydrophobicContact CD1-CD1 4.48Å; I455-I462 HydrophobicContact CG1-CD1 4.2Å; I455-I462 HydrophobicContact CG1-CG1 4.01Å; I462-F464 HydrophobicContact CD1-CE1 4.21Å; I462-F464 HydrophobicContact CD1-CZ 3.73Å; I462-F464 HydrophobicContact CG1-CE1 4.36Å; I462-F464 HydrophobicContact CG1-CE2 4.26Å; I462-F464 HydrophobicContact CG1-CZ 3.85Å; I462-F464 HydrophobicContact CG2-CE2 4.09Å; I462-F464 HydrophobicContact CG2-CZ 4.27Å
463V83.9Confident81.6Confident73 Ų7377.2 Ų77.244%0.44238%0.376SS..EExtended strand (participates in β ladder)trans-134.6133.4-179.5-179.80000109.8P453 N454 D465P453-V463 CarbonylContact C-O 3.53Å; P453-V463 WeakPolarHBondContact CA-O 3.21Å; N454-V463 HydrophobicContact CB-CB 4.3Å; N454-V463 PolarHBondContact N-O 3.23Å; N454-V463 PolarHBondContact O-N 3.02Å; V463-D465 HydrophobicContact CG1-CB 4.44Å
464F83Confident81Confident12 Ų1280.9 Ų80.95%0.05339%0.388CS..  trans-103.989.5-179.5-57.8-80.7000110.9L422 H425 W447 H451 P453 I462 C469 R474L422-F464 HydrophobicContact CD2-CE2 3.7Å; L422-F464 HydrophobicContact CD2-CZ 3.55Å; L422-F464 HydrophobicContact CG-CE2 3.94Å; L422-F464 HydrophobicContact CG-CZ 4.3Å; H425-F464 HydrophobicContact CB-CD2 3.91Å; H425-F464 HydrophobicContact CB-CE2 4.33Å; H425-F464 HydrophobicContact CB-CG 4.32Å; H425-F464 AromaticContact CE1-CD1 3.92Å; H425-F464 AromaticContact ND1-CD1 3.78Å; H425-F464 AromaticContact ND1-CG 3.63Å; W447-F464 AromaticContact CH2-CE1 3.75Å; W447-F464 HydrophobicContact CH2-CE1 3.75Å; W447-F464 AromaticContact CH2-CZ 3.71Å; W447-F464 HydrophobicContact CH2-CZ 3.71Å; W447-F464 HydrophobicContact CZ2-CE1 4Å; W447-F464 HydrophobicContact CZ2-CZ 4.1Å; H451-F464 HydrophobicContact CB-CD1 4.19Å; H451-F464 HydrophobicContact CB-CE1 4.24Å; P453-F464 HydrophobicContact CB-CD1 3.9Å; P453-F464 HydrophobicContact CB-CE1 3.72Å; P453-F464 HydrophobicContact CB-CZ 4.45Å; P453-F464 HydrophobicContact CG-CE1 4.37Å; I462-F464 HydrophobicContact CD1-CE1 4.21Å; I462-F464 HydrophobicContact CD1-CZ 3.73Å; I462-F464 HydrophobicContact CG1-CE1 4.36Å; I462-F464 HydrophobicContact CG1-CE2 4.26Å; I462-F464 HydrophobicContact CG1-CZ 3.85Å; I462-F464 HydrophobicContact CG2-CE2 4.09Å; I462-F464 HydrophobicContact CG2-CZ 4.27Å; F464-C469 HydrophobicContact CB-CB 3.96Å; F464-R474 PolarHBondContact O-NH2 2.94Å
465D79.8Confident79.8Confident54 Ų5480.3 Ų80.329%0.28938%0.384SS..  trans-122.75.3-179.870.5-45.3000114.3N454 V463 R470N454-D465 PolarHBondContact ND2-OD1 3.22Å; N454-D465 PolarHBondContact ND2-OD2 2.89Å; V463-D465 HydrophobicContact CG1-CB 4.44Å; D465-R470 PolarHBondContact O-NE 3.09Å; D465-R470 PolarHBondContact O-NH2 2.89Å
466S83.3Confident78.1Confident21 Ų2189 Ų8915%0.14742%0.416CS..SBendtrans-60.9154.6168.8660000112.4H451 Y468 C469 R470H451-S466 VanDerWaalsContact O-CB 3.3Å; H451-S466 WeakPolarHBondContact O-CB 3.42Å; H451-S466 PolarHBondContact O-OG 3.02Å; S466-Y468 VanDerWaalsContact C-N 3.28Å; S466-Y468 PolarHBondContact O-N 2.89Å; S466-C469 PolarHBondContact O-N 2.68Å; S466-C469 PolarHBondContact OG-N 3.46Å; S466-C469 PolarHBondContact OG-SG 2.8Å; S466-R470 WeakPolarHBondContact O-CG 3.3Å; S466-R470 PolarHBondContact O-N 3.05Å; S466-R470 VanDerWaalsContact O-N 3.13Å
467E78.4Confident76.2Confident145 Ų14587.2 Ų87.268%0.67841%0.406SS*.Hα-helixtrans-59.3-41.4179.3-64-164.7140.200111.7C469 R470 Y471E467-C469 PolarHBondContact O-N 3.28Å; E467-R470 PolarHBondContact O-N 2.81Å; E467-Y471 HydrophobicContact CB-CE2 4.41Å; E467-Y471 WeakPolarHBondContact O-CD2 3.38Å; E467-Y471 PolarHBondContact O-N 3.2Å
468Y80.9Confident74.2Confident103 Ų10384.7 Ų84.740%0.40441%0.412SS..Hα-helixtrans-54.6-53.3176.6-177.5-92000111.8T450 H451 S466 R470 Y471 H472T450-Y468 HydrophobicContact CG2-CD1 3.97Å; T450-Y468 HydrophobicContact CG2-CE1 3.52Å; T450-Y468 HydrophobicContact CG2-CE2 4.3Å; H451-Y468 AromaticContact CE1-CE1 3.69Å; H451-Y468 AromaticContact ND1-CD1 3.82Å; H451-Y468 AromaticContact ND1-CE1 3.77Å; S466-Y468 VanDerWaalsContact C-N 3.28Å; S466-Y468 PolarHBondContact O-N 2.89Å; Y468-R470 VanDerWaalsContact C-N 3.31Å; Y468-R470 PolarHBondContact O-N 3.24Å; Y468-Y471 PolarHBondContact O-N 3.48Å; Y468-H472 AromaticContact CD2-CD2 3.57Å; Y468-H472 HydrophobicContact CE1-CB 4.26Å; Y468-H472 HydrophobicContact CE2-CB 4.46Å; Y468-H472 AromaticContact CE2-CD2 3.65Å; Y468-H472 WeakPolarHBondContact O-CB 3.24Å; Y468-H472 PolarHBondContact O-CD2 3.48Å; Y468-H472 PolarHBondContact O-N 2.95Å
469C82.3Confident72.4Confident0 Ų086.2 Ų86.20%041%0.409CS..Hα-helixtrans-64.7-34.9-178.7-64.80000112.7H451 F464 S466 E467 Y471 C473 R474H451-C469 VanDerWaalsContact CB-SG 3.57Å; H451-C469 PolarHBondContact ND1-SG 3.04Å; H451-C469 VanDerWaalsContact ND1-SG 3.36Å; H451-C469 PolarHBondContact O-SG 3.13Å; H451-C469 VanDerWaalsContact O-SG 3.41Å; F464-C469 HydrophobicContact CB-CB 3.96Å; S466-C469 PolarHBondContact O-N 2.68Å; S466-C469 PolarHBondContact OG-N 3.46Å; S466-C469 PolarHBondContact OG-SG 2.8Å; E467-C469 PolarHBondContact O-N 3.28Å; C469-Y471 VanDerWaalsContact C-N 3.34Å; C469-Y471 PolarHBondContact O-N 3.23Å; C469-C473 HydrophobicContact CB-CB 4.37Å; C469-C473 PolarHBondContact O-N 3.41Å; C469-R474 PolarHBondContact O-N 3.41Å
470R80.4Confident70.4Confident131 Ų13186.6 Ų86.649%0.49441%0.413SS..Hα-helixtrans-62.4-38.6177.1-70.5175.4-162.6-160.54.4112.8D465 S466 E467 Y468 S477D465-R470 PolarHBondContact O-NE 3.09Å; D465-R470 PolarHBondContact O-NH2 2.89Å; S466-R470 WeakPolarHBondContact O-CG 3.3Å; S466-R470 PolarHBondContact O-N 3.05Å; S466-R470 VanDerWaalsContact O-N 3.13Å; E467-R470 PolarHBondContact O-N 2.81Å; Y468-R470 VanDerWaalsContact C-N 3.31Å; Y468-R470 PolarHBondContact O-N 3.24Å; R470-S477 PolarHBondContact O-OG 3.38Å
471Y76.1Confident68.5Low164 Ų16486.4 Ų86.464%0.64343%0.428SS*.Hα-helixtrans-88.2-37.5-179.2-66.9-63.5000113E467 Y468 C469 S477E467-Y471 HydrophobicContact CB-CE2 4.41Å; E467-Y471 WeakPolarHBondContact O-CD2 3.38Å; E467-Y471 PolarHBondContact O-N 3.2Å; Y468-Y471 PolarHBondContact O-N 3.48Å; C469-Y471 VanDerWaalsContact C-N 3.34Å; C469-Y471 PolarHBondContact O-N 3.23Å; Y471-S477 WeakPolarHBondContact O-CB 3.22Å; Y471-S477 PolarHBondContact O-OG 3.25Å
472H76.1Confident66.7Low125 Ų12589.5 Ų89.558%0.57945%0.45SS*.Hα-helixtrans-105.2-22.4-167.8-62.4-69000115.6Y468Y468-H472 AromaticContact CD2-CD2 3.57Å; Y468-H472 HydrophobicContact CE1-CB 4.26Å; Y468-H472 HydrophobicContact CE2-CB 4.46Å; Y468-H472 AromaticContact CE2-CD2 3.65Å; Y468-H472 WeakPolarHBondContact O-CB 3.24Å; Y468-H472 PolarHBondContact O-CD2 3.48Å; Y468-H472 PolarHBondContact O-N 2.95Å
473C77.5Confident64.3Low4 Ų495.5 Ų95.53%0.02748%0.482CS..THydrogen-bonded Turntrans-123.5-12.3-164.3-51.50000115.4H425 R426 C469H425-C473 CarbonylContact C-O 3.59Å; H425-C473 WeakPolarHBondContact CA-O 3.2Å; H425-C473 WeakPolarHBondContact CE1-CB 3.21Å; H425-C473 VanDerWaalsContact CE1-SG 3.59Å; H425-C473 VanDerWaalsContact ND1-CB 3.26Å; H425-C473 WeakPolarHBondContact ND1-CB 3.19Å; R426-C473 PolarHBondContact N-O 3.06Å; R426-C473 CarbonylContact O-C 3.56Å; R426-C473 WeakPolarHBondContact O-CA 3.45Å; C469-C473 HydrophobicContact CB-CB 4.37Å; C469-C473 PolarHBondContact O-N 3.41Å
474R75.4Confident61.9Low92 Ų9297 Ų9735%0.34749%0.493SS..BIsolated β-bridgetrans-75.6140178.8-71-177177.5-144.9-7.2111.3F464 C469 Y476 S477F464-R474 PolarHBondContact O-NH2 2.94Å; C469-R474 PolarHBondContact O-N 3.41Å; R474-Y476 PolarHBondContact O-N 3.25Å; R474-S477 PolarHBondContact O-N 2.94Å
475M59.8Low59.7Low82 Ų82101.9 Ų101.940%0.40453%0.526SS..THydrogen-bonded Turntrans-55.2-16.4177.4-71.8-151.2-168.200115.2D421 D424 R426D421-M475 HydrophobicContact CB-CE 4.29Å; D421-M475 WeakPolarHBondContact OD2-CE 3.31Å; D424-M475 PolarHBondContact O-N 3.42Å; R426-M475 HydrophobicContact CB-CG 4.21Å
476Y52.7Low57.7Low218 Ų218104.5 Ų104.586%0.85555%0.546SS*.THydrogen-bonded Turntrans-102.3-1.6178.3-58.4-72000114.6R474R474-Y476 PolarHBondContact O-N 3.25Å
477S45.6Very low55.3Low29 Ų29107.5 Ų107.520%0.20357%0.571CS.*SBendtrans-63.6135.8162.5-86.70000108.5R470 Y471 R474 I479R470-S477 PolarHBondContact O-OG 3.38Å; Y471-S477 WeakPolarHBondContact O-CB 3.22Å; Y471-S477 PolarHBondContact O-OG 3.25Å; R474-S477 PolarHBondContact O-N 2.94Å; S477-I479 PolarHBondContact O-N 2.93Å
478P39.3Very low53Low117 Ų117106.6 Ų106.676%0.7658%0.578SS**  trans-60.6114.5174.525.7-32.5000108P480P478-P480 VanDerWaalsContact O-CD 3.32Å; P478-P480 WeakPolarHBondContact O-CD 3.44Å
479I42.6Very low50.9Low145 Ų145109 Ų10974%0.74459%0.593SS**PPolyproline II helixtrans-51.2119.1172.1-58.1172.8000105.9S477S477-I479 PolarHBondContact O-N 2.93Å
480P40Very low48.5Very low101 Ų101114.3 Ų114.366%0.65663%0.628SS**PPolyproline II helixtrans-53129.7175.4-24.934.1000107.6P478 S482P478-P480 VanDerWaalsContact O-CD 3.32Å; P478-P480 WeakPolarHBondContact O-CD 3.44Å; P480-S482 PolarHBondContact O-N 3.42Å; P480-S482 VanDerWaalsContact O-N 3.16Å
481P37.9Very low46.2Very low122 Ų122112.4 Ų112.479%0.79263%0.632SS**PPolyproline II helixtrans-51.8131.3178.323.1-33.2000107.5L483P481-L483 PolarHBondContact O-N 3Å
482S40.1Very low44.2Very low110 Ų110109.5 Ų109.577%0.76963%0.627SS**  trans-34.1121.8-16853.30000111.2P480P480-S482 PolarHBondContact O-N 3.42Å; P480-S482 VanDerWaalsContact O-N 3.16Å
483L35.2Very low42.4Very low158 Ų158107.2 Ų107.283%0.82761%0.614SS**  trans-42.1130.6171.7-81.8165.4000107.8P481P481-L483 PolarHBondContact O-N 3Å
484P34.1Very low40.3Very low105 Ų105113.2 Ų113.268%0.68264%0.637SS**PPolyproline II helixtrans-51.6137.5178.722.5-32.6000107.5
485P36.9Very low38.2Very low114 Ų114113.9 Ų113.974%0.7465%0.654SS**PPolyproline II helixtrans-49.8132.4-177.921.8-33.3000107.7A487P485-A487 PolarHBondContact O-N 2.98Å
486P36.3Very low36.9Very low109 Ų109113.3 Ų113.371%0.70865%0.654SS**PPolyproline II helixtrans-50.2123.7-170.519.5-32.3000108.1P488P486-P488 VanDerWaalsContact O-N 3.11Å
487A34.1Very low35.9Very low83 Ų83110.2 Ų110.269%0.68665%0.652SS**  trans-45.8125.4-178.100000107.4P485 Q489P485-A487 PolarHBondContact O-N 2.98Å; A487-Q489 PolarHBondContact O-N 3.09Å
488P30.8Very low35.2Very low126 Ų126112.8 Ų112.882%0.81868%0.684SS**  trans-55.2105.4-159.819.9-32.9000108.5P486P486-P488 VanDerWaalsContact O-N 3.11Å
489Q36Very low34.6Very low153 Ų153115.1 Ų115.172%0.71568%0.679SS**PPolyproline II helixtrans-60.9135.9-176.6-69.5-163.2-2.300106.7A487 P491A487-Q489 PolarHBondContact O-N 3.09Å; Q489-P491 VanDerWaalsContact O-N 3.09Å
490P31.8Very low34Very low113 Ų113116.2 Ų116.273%0.73467%0.674SS**PPolyproline II helixtrans-52.2125.9174.423.7-33000106.6L492P490-L492 PolarHBondContact O-N 3.33Å; P490-L492 VanDerWaalsContact O-N 3.15Å
491P32.2Very low33.6Very low90 Ų90114.3 Ų114.358%0.58466%0.66SS**PPolyproline II helixtrans-58.1129.9-169.923.1-33.5000108.2Q489 Y493Q489-P491 VanDerWaalsContact O-N 3.09Å; P491-Y493 WeakPolarHBondContact CB-O 3.4Å; P491-Y493 PolarHBondContact O-N 3.33Å
492L34.5Very low33.4Very low104 Ų104115.6 Ų115.655%0.54565%0.65SS.*SBendtrans-59-2.2179.4-91.9165.6000113.4P490 Y502 Q503P490-L492 PolarHBondContact O-N 3.33Å; P490-L492 VanDerWaalsContact O-N 3.15Å; L492-Y502 CarbonylContact O-C 3.57Å; L492-Y502 WeakPolarHBondContact O-CA 3.3Å; L492-Q503 HydrophobicContact CD2-CB 4.48Å; L492-Q503 PolarHBondContact O-N 3.16Å
493Y36.9Very low32.9Very low77 Ų77116.6 Ų116.630%0.30264%0.642SS.*EExtended strand (participates in β ladder)trans-137.1147.2170.861.9-86.3000110.9P491 R500 V501 Y502P491-Y493 WeakPolarHBondContact CB-O 3.4Å; P491-Y493 PolarHBondContact O-N 3.33Å; Y493-R500 HydrophobicContact CD2-CB 3.82Å; Y493-R500 HydrophobicContact CD2-CG 3.9Å; Y493-R500 HydrophobicContact CE2-CB 4.3Å; Y493-R500 HydrophobicContact CE2-CG 3.87Å; Y493-R500 HydrophobicContact CG-CB 4.04Å; Y493-R500 HydrophobicContact CG-CG 4.48Å; Y493-V501 WeakPolarHBondContact CA-O 3.39Å; Y493-V501 WeakPolarHBondContact CB-O 3.15Å; Y493-Y502 HydrophobicContact CD1-CD1 4.28Å; Y493-Y502 AromaticContact CD1-CE1 3.93Å; Y493-Y502 HydrophobicContact CD1-CE1 3.93Å
494Y34.6Very low32.6Very low129 Ų129114.9 Ų114.951%0.50664%0.641SS.*EExtended strand (participates in β ladder)trans-101.2140.8163.348.6-88000109.9V496 V501Y494-V496 HydrophobicContact CD2-CG2 3.79Å; Y494-V496 HydrophobicContact CE2-CG2 4.01Å; Y494-V501 PolarHBondContact N-O 3.37Å
495P30.5Very low32.2Very low107 Ų107115 Ų11570%0.69564%0.64SS**EExtended strand (participates in β ladder)trans-78.6130.4179.630.7-32.8000111.1
496V33Very low31.7Very low69 Ų69119.6 Ų119.642%0.41864%0.642SS.*EExtended strand (participates in β ladder)trans-132.6120.4169.9-1750000107.8Y494 G498 Y499Y494-V496 HydrophobicContact CD2-CG2 3.79Å; Y494-V496 HydrophobicContact CE2-CG2 4.01Å; V496-G498 VanDerWaalsContact C-N 3.26Å; V496-G498 PolarHBondContact O-N 3.19Å; V496-Y499 PolarHBondContact N-O 3.28Å; V496-Y499 WeakPolarHBondContact O-CB 3.27Å; V496-Y499 PolarHBondContact O-N 3.37Å
497D31.6Very low31.2Very low153 Ų153121.9 Ų121.982%0.81864%0.638SS**THydrogen-bonded Turntrans41.844.9174-62.1-28.4000116.1Y499D497-Y499 VanDerWaalsContact O-CD2 3.27Å; D497-Y499 WeakPolarHBondContact O-CD2 3.49Å; D497-Y499 WeakPolarHBondContact O-CE2 3.06Å
498G30.9Very low30.7Very low84 Ų84126.9 Ų126.987%0.86664%0.64SS**THydrogen-bonded Turntrans87.1-1.4177.800000115.6V496V496-G498 VanDerWaalsContact C-N 3.26Å; V496-G498 PolarHBondContact O-N 3.19Å
499Y26Very low30.3Very low166 Ų166129.8 Ų129.865%0.65164%0.636SS**EExtended strand (participates in β ladder)trans-100.8149.6177.2-58-85.5000112.1V496 D497V496-Y499 PolarHBondContact N-O 3.28Å; V496-Y499 WeakPolarHBondContact O-CB 3.27Å; V496-Y499 PolarHBondContact O-N 3.37Å; D497-Y499 VanDerWaalsContact O-CD2 3.27Å; D497-Y499 WeakPolarHBondContact O-CD2 3.49Å; D497-Y499 WeakPolarHBondContact O-CE2 3.06Å
500R31.1Very low29.8Very low168 Ų168127.2 Ų127.263%0.63463%0.631SS**EExtended strand (participates in β ladder)trans-101.8108.8172.5-60.5-178.5-174.3174.4-0.4108.6Y493 Y502Y493-R500 HydrophobicContact CD2-CB 3.82Å; Y493-R500 HydrophobicContact CD2-CG 3.9Å; Y493-R500 HydrophobicContact CE2-CB 4.3Å; Y493-R500 HydrophobicContact CE2-CG 3.87Å; Y493-R500 HydrophobicContact CG-CB 4.04Å; Y493-R500 HydrophobicContact CG-CG 4.48Å; R500-Y502 HydrophobicContact CB-CE2 4.31Å
501V30.6Very low29.4Very low61 Ų61129.1 Ų129.137%0.3763%0.63SS.*EExtended strand (participates in β ladder)trans-103.9106-178.7-179.20000109.6Y493 Y494Y493-V501 WeakPolarHBondContact CA-O 3.39Å; Y493-V501 WeakPolarHBondContact CB-O 3.15Å; Y494-V501 PolarHBondContact N-O 3.37Å
502Y33.9Very low29.1Very low148 Ų148130.9 Ų130.958%0.5863%0.634SS**EExtended strand (participates in β ladder)trans-75.8147.6-176.5-62.7-92.5000112.8L492 Y493 R500L492-Y502 CarbonylContact O-C 3.57Å; L492-Y502 WeakPolarHBondContact O-CA 3.3Å; Y493-Y502 HydrophobicContact CD1-CD1 4.28Å; Y493-Y502 AromaticContact CD1-CE1 3.93Å; Y493-Y502 HydrophobicContact CD1-CE1 3.93Å; R500-Y502 HydrophobicContact CB-CE2 4.31Å
503Q29.3Very low28.7Very low131 Ų131131.1 Ų131.161%0.61264%0.64SS**  trans-57135.3171.7-86.7-174.7-25.900110.8L492 V505L492-Q503 HydrophobicContact CD2-CB 4.48Å; L492-Q503 PolarHBondContact O-N 3.16Å; Q503-V505 PolarHBondContact O-N 3.02Å; Q503-V505 VanDerWaalsContact O-N 3.16Å
504P28.9Very low28.2Very low122 Ų122137.6 Ų137.679%0.79267%0.665SS**  trans-69.5114.6-177.826.8-33.3000111.2R506P504-R506 PolarHBondContact O-N 3.15Å
505V26.3Very low27.7Very low109 Ų109135.8 Ų135.866%0.66167%0.668SS**  trans-55.2127.1170.4179.40000109.2Q503 Y507Q503-V505 PolarHBondContact O-N 3.02Å; Q503-V505 VanDerWaalsContact O-N 3.16Å; V505-Y507 PolarHBondContact O-N 3.2Å
506R26.4Very low27.4Very low209 Ų209136.6 Ų136.679%0.78967%0.673SS**  trans-57.6119.1-174.9-75.7177.2170.2168-3.7111.7P504P504-R506 PolarHBondContact O-N 3.15Å
507Y25.2Very low27.1Very low157 Ų157139.1 Ų139.162%0.61669%0.688SS**  trans22.4106157.7-56.5-77.4000118.5V505 Y509 M670V505-Y507 PolarHBondContact O-N 3.2Å; Y507-Y509 PolarHBondContact O-N 2.86Å; Y507-M670 HydrophobicContact CD1-CB 4.36Å; Y507-M670 HydrophobicContact CE1-CB 4.01Å; Y507-M670 HydrophobicContact CE1-CE 3.84Å; Y507-M670 HydrophobicContact CE1-SD 4.38Å
508Y23.7Very low26.9Very low189 Ų189138.5 Ų138.574%0.74169%0.685SS**  trans-63.4112.8158.5-71.6-88.9000110.7V510Y508-V510 PolarHBondContact O-N 3.04Å; Y508-V510 VanDerWaalsContact O-N 3.15Å
509Y23.4Very low27.3Very low186 Ų186140.2 Ų140.273%0.72967%0.67SS**  trans-75.794.4162.4-108.6-89.8000109.1Y507 Q511Y507-Y509 PolarHBondContact O-N 2.86Å; Y509-Q511 PolarHBondContact O-N 3.03Å
510V25.1Very low27.9Very low99 Ų99139.2 Ų139.260%0.667%0.671SS**  trans-77.281.2165.4-173.90000108.2Y508 V513Y508-V510 PolarHBondContact O-N 3.04Å; Y508-V510 VanDerWaalsContact O-N 3.15Å; V510-V513 HydrophobicContact CG1-CG2 3.93Å
511Q24Very low28.1Very low154 Ų154137.3 Ų137.372%0.7268%0.678SS**  trans-67.3131.2161.1-91.5178.6-34.400108.3Y509Y509-Q511 PolarHBondContact O-N 3.03Å
512N25.5Very low28.5Very low126 Ų126141.1 Ų141.167%0.67469%0.687SS**  trans80.184-176.7-50.2-24.9000115.9
513V26.4Very low28.7Very low109 Ų109139 Ų13966%0.66169%0.691SS**SBendtrans-102-18.3154.2-1780000111.8V510V510-V513 HydrophobicContact CG1-CG2 3.93Å
514Y26.2Very low29.2Very low214 Ų214139.8 Ų139.884%0.83970%0.699SS**  trans-143.990.3173-77.8-79.9000111.9
515T22.9Very low29.6Very low91 Ų91140.7 Ų140.756%0.55869%0.693SS**  trans-76.3152.6150.1340000109.4V517T515-V517 PolarHBondContact O-N 3.43Å
516P24.3Very low30.1Very low123 Ų123142.7 Ų142.780%0.79969%0.688SS**  trans-58.4134.9169.2-19.632.3000109.7D518P516-D518 PolarHBondContact O-N 3.31Å
517V27.7Very low30.2Very low123 Ų123141.7 Ų141.775%0.74570%0.698SS**  trans-74.997-174.8-1760000110T515 E519T515-V517 PolarHBondContact O-N 3.43Å; V517-E519 PolarHBondContact O-N 3.3Å
518D28.1Very low30.6Very low139 Ų139139.9 Ų139.974%0.74370%0.703SS**  trans-62.5122.9148-86.6-36.8000107.2P516 H520P516-D518 PolarHBondContact O-N 3.31Å; D518-H520 PolarHBondContact O-N 3.44Å
519E37.7Very low31.2Very low121 Ų121134.6 Ų134.657%0.56569%0.687SS**THydrogen-bonded Turntrans-61.96.1-158.4-68-171.7134.300117.1V517V517-E519 PolarHBondContact O-N 3.3Å
520H39Very low32Very low145 Ų145130.7 Ų130.767%0.67169%0.685SS**THydrogen-bonded Turntrans-141.211.9-168.8-56.682.9000115.8D518D518-H520 PolarHBondContact O-N 3.44Å
521V34.8Very low32.8Very low127 Ų127133 Ų13377%0.7769%0.689SS**  trans-108.798174.5-172.90000110.3
522Y39.8Very low33.9Very low142 Ų142131.2 Ų131.256%0.55768%0.683SS**PPolyproline II helixtrans-84.3149.9168-67.2-89.6000109.6L569Y522-L569 HydrophobicContact CD2-CD1 3.82Å; Y522-L569 HydrophobicContact CD2-CD2 3.44Å; Y522-L569 VanDerWaalsContact CD2-CD2 3.44Å; Y522-L569 HydrophobicContact CD2-CG 4.26Å; Y522-L569 HydrophobicContact CE2-CD1 3.72Å; Y522-L569 HydrophobicContact CE2-CD2 4.07Å; Y522-L569 HydrophobicContact CE2-CG 4.47Å; Y522-L569 HydrophobicContact CG-CD2 3.82Å
523P39.2Very low35.2Very low102 Ų102130.7 Ų130.766%0.66268%0.677SS**PPolyproline II helixtrans-64139.8172.327.8-34.2000110.4
524D39Very low36.4Very low149 Ų149129 Ų12980%0.79766%0.662SS**PPolyproline II helixtrans-57.1152.8179.8-64.8-55.2000112.9R526D524-R526 PolarHBondContact O-N 2.87Å
525H37.8Very low37.8Very low141 Ų141122.6 Ų122.665%0.65364%0.642SS**PPolyproline II helixtrans-52.4134.8174.2-69.4-77.5000111.4D529H525-D529 IonicContact CE1-OD2 3.41Å; H525-D529 IonicContact CG-OD2 3.58Å; H525-D529 IonicContact ND1-OD2 3.58Å; H525-D529 PolarHBondContact ND1-OD2 3.02Å
526R37.1Very low38.7Very low150 Ų150124 Ų12457%0.56665%0.652SS**PPolyproline II helixtrans-94.8166.2-172.1-60.2-179.6-177.1-173-0.5111.5D524 V528 D529D524-R526 PolarHBondContact O-N 2.87Å; R526-V528 PolarHBondContact O-N 2.91Å; R526-D529 PolarHBondContact N-OD1 3.48Å
527L27.6Very low39.6Very low188 Ų188120.7 Ų120.798%0.98464%0.641SS**SBendtrans-48.8-30.3170.8-89.5155.4000113.6
528V33.1Very low40.6Very low119 Ų119116.4 Ų116.472%0.72162%0.618SS**SBendtrans-141.5116.4162.1-1790000107.8R526R526-V528 PolarHBondContact O-N 2.91Å
529D37Very low41.4Very low78 Ų78117 Ų11742%0.41762%0.616SS.*  trans-80.6128.3167.2-76-21.3000110H525 R526 H531H525-D529 IonicContact CE1-OD2 3.41Å; H525-D529 IonicContact CG-OD2 3.58Å; H525-D529 IonicContact ND1-OD2 3.58Å; H525-D529 PolarHBondContact ND1-OD2 3.02Å; R526-D529 PolarHBondContact N-OD1 3.48Å; D529-H531 PolarHBondContact O-N 2.99Å
530P40.6Very low41.8Very low105 Ų105114.8 Ų114.868%0.68261%0.614SS**  trans-70.9104.5179.827.8-33.1000110.6
531H41.2Very low42.3Very low147 Ų147108.9 Ų108.968%0.68159%0.587SS**  trans-67137.7173.6-174.9-85000111D529 E533D529-H531 PolarHBondContact O-N 2.99Å; H531-E533 PolarHBondContact O-N 2.92Å; H531-E533 VanDerWaalsContact O-N 3.11Å
532I48.2Very low42.9Very low117 Ų117106 Ų10660%0.657%0.571SS**  trans-80.193.9173.5-59.8179.1000108.2T603I532-T603 HydrophobicContact CG2-CG2 3.32Å
533E51.9Low43.4Very low115 Ų115104.9 Ų104.954%0.53758%0.584SS.*PPolyproline II helixtrans-71137.2176.1-64.8178.5-169.100111.2H531 T603 I604H531-E533 PolarHBondContact O-N 2.92Å; H531-E533 VanDerWaalsContact O-N 3.11Å; E533-T603 CarbonylContact O-C 3.59Å; E533-T603 VanDerWaalsContact O-CA 3.32Å; E533-T603 WeakPolarHBondContact O-CA 3.32Å; E533-I604 HydrophobicContact CB-CB 4.28Å; E533-I604 HydrophobicContact CB-CD1 3.82Å; E533-I604 HydrophobicContact CB-CG1 4.13Å; E533-I604 PolarHBondContact O-N 2.87Å
534M51.9Low43.9Very low72 Ų72101.4 Ų101.436%0.35557%0.567SS.*BIsolated β-bridgetrans-88.5148.7172.9-67.3-68.2-132.400110.1I541 T603M534-I541 HydrophobicContact CE-CD1 4.15Å; M534-I541 HydrophobicContact CE-CG1 4.19Å; M534-T603 HydrophobicContact SD-CG2 3.87Å
535I55.8Low44.6Very low81 Ų81101.9 Ų101.942%0.41556%0.564SS.*PPolyproline II helixtrans-59.4129.9175.3-63170.4000109.2G537 A538 F602 I604I535-G537 PolarHBondContact O-N 3.47Å; I535-G537 VanDerWaalsContact O-N 3.16Å; I535-A538 HydrophobicContact CB-CB 4.38Å; I535-A538 WeakPolarHBondContact O-CB 3.18Å; I535-A538 PolarHBondContact O-N 2.94Å; I535-F602 WeakPolarHBondContact CG1-O 3.31Å; I535-F602 PolarHBondContact N-O 2.85Å; I535-I604 HydrophobicContact CG1-CG1 4.26Å
536P41.2Very low45.2Very low119 Ų119101.8 Ų101.877%0.77357%0.573SS**THydrogen-bonded Turntrans-56.3121.8179.6-26.935.5000111.8
537G42.9Very low46Very low54 Ų54102 Ų10256%0.55758%0.575SS**THydrogen-bonded Turntrans97.2-4.3-174.200000115.5I535 H539I535-G537 PolarHBondContact O-N 3.47Å; I535-G537 VanDerWaalsContact O-N 3.16Å; G537-H539 PolarHBondContact O-CD2 2.72Å; G537-H539 VanDerWaalsContact O-CD2 3.29Å; G537-H539 PolarHBondContact O-N 2.84Å
538A49.6Very low47.3Very low33 Ų3399.2 Ų99.227%0.27357%0.571SS.*  trans-73.571.7174.400000112I535 S540 F602I535-A538 HydrophobicContact CB-CB 4.38Å; I535-A538 WeakPolarHBondContact O-CB 3.18Å; I535-A538 PolarHBondContact O-N 2.94Å; A538-S540 VanDerWaalsContact C-N 3.3Å; A538-S540 PolarHBondContact O-N 2.87Å; A538-F602 HydrophobicContact CB-CB 4.35Å
539H43.4Very low48.7Very low153 Ų15396.4 Ų96.471%0.70855%0.552SS**  trans-82.13.7-174.2-59.8-51.7000115G537 P576G537-H539 PolarHBondContact O-CD2 2.72Å; G537-H539 VanDerWaalsContact O-CD2 3.29Å; G537-H539 PolarHBondContact O-N 2.84Å; H539-P576 WeakPolarHBondContact O-CG 3.48Å
540S46.8Very low50.1Low74 Ų7495.3 Ų95.352%0.51755%0.55SS..  trans-156.4127.3175.653.10000112.7A538A538-S540 VanDerWaalsContact C-N 3.3Å; A538-S540 PolarHBondContact O-N 2.87Å
541I49.2Very low51.5Low21 Ų2197.5 Ų97.511%0.10855%0.551CS.*  trans-74132.7162.6-57.1174.8000106.8M534 S543 A575 N577M534-I541 HydrophobicContact CE-CD1 4.15Å; M534-I541 HydrophobicContact CE-CG1 4.19Å; I541-S543 PolarHBondContact O-N 2.79Å; I541-A575 HydrophobicContact CD1-CB 4.48Å; I541-N577 HydrophobicContact CB-CB 4.26Å; I541-N577 PolarHBondContact O-ND2 3.32Å
542P47.3Very low52.5Low67 Ų6794.9 Ų94.944%0.43555%0.547SS..  trans-58.1128.9-179.221.8-32.9000111.2G544 F602P542-G544 PolarHBondContact O-N 3Å; P542-G544 VanDerWaalsContact O-N 3.07Å; P542-F602 HydrophobicContact CG-CE2 3.76Å; P542-F602 HydrophobicContact CG-CZ 4.09Å
543S50Low53.1Low117 Ų11792.4 Ų92.482%0.81853%0.533SS*.  trans-70.9103.9-178.959.80000110.7I541I541-S543 PolarHBondContact O-N 2.79Å
544G50.7Low53.6Low30 Ų3090.4 Ų90.431%0.30952%0.524SS..  trans-72.8171.5163.800000112P542 V546P542-G544 PolarHBondContact O-N 3Å; P542-G544 VanDerWaalsContact O-N 3.07Å; G544-V546 PolarHBondContact O-N 2.9Å
545H52.4Low54.2Low159 Ų15988.7 Ų88.774%0.73652%0.522SS*.  trans-62.1120.2173.2-81.3-77.3000110.6Y547H545-Y547 PolarHBondContact O-N 3.29Å
546V52.3Low54.5Low138 Ų13886.3 Ų86.384%0.83651%0.514SS*.  trans-74.9110.2169.1-178.50000107.7G544G544-V546 PolarHBondContact O-N 2.9Å
547Y54Low55.5Low156 Ų15682.3 Ų82.361%0.61249%0.486SS*.  trans-73.9128.2173.8-63.6-81.2000110H545 L549H545-Y547 PolarHBondContact O-N 3.29Å; Y547-L549 PolarHBondContact O-N 3.07Å
548S54.5Low56.6Low129 Ų12986.3 Ų86.390%0.90248%0.484SS*.  trans-66.2114.7173.5-59.80000110.2
549L61.5Low57.4Low60 Ų6089.5 Ų89.531%0.31450%0.497SS..  trans-85141.3173.9-63.8175.8000110.3Y547 E553 M554 L557Y547-L549 PolarHBondContact O-N 3.07Å; L549-E553 HydrophobicContact CB-CB 4.21Å; L549-E553 HydrophobicContact CD2-CB 4.31Å; L549-M554 HydrophobicContact CB-CG 3.54Å; L549-M554 HydrophobicContact CD1-CG 4.24Å; L549-L557 HydrophobicContact CD1-CD2 3.68Å
550S67.5Low58.2Low54 Ų5485.1 Ų85.138%0.37848%0.476SS..  trans-69.2161.1168.667.20000111.3E553 M554S550-E553 VanDerWaalsContact CB-OE2 3.27Å; S550-E553 WeakPolarHBondContact CB-OE2 3.4Å; S550-E553 PolarHBondContact N-OE2 3.24Å; S550-E553 PolarHBondContact O-N 3.48Å; S550-E553 VanDerWaalsContact OG-CG 3.32Å; S550-E553 WeakPolarHBondContact OG-CG 3.33Å; S550-E553 PolarHBondContact OG-OE2 2.77Å; S550-M554 PolarHBondContact O-N 3.38Å
551E68.4Low58.9Low152 Ų15284.5 Ų84.571%0.7147%0.469SS*.Hα-helixtrans-56.7-40.8-178-171.7172.1-155.800114.1M554 A555E551-M554 HydrophobicContact CB-CE 4.5Å; E551-M554 PolarHBondContact O-N 3.49Å; E551-A555 WeakPolarHBondContact O-CB 3.48Å; E551-A555 PolarHBondContact O-N 3.42Å
552P62.1Low59.4Low91 Ų9186.4 Ų86.459%0.59149%0.488SS*.Hα-helixtrans-64.7-36.5172.1-22.334.8000113.9A555 A556P552-A555 PolarHBondContact O-N 3.05Å; P552-A556 WeakPolarHBondContact O-CB 3.41Å; P552-A556 PolarHBondContact O-N 3.39Å
553E61.5Low60.1Low65 Ų6590.1 Ų90.130%0.30449%0.493SS..Hα-helixtrans-72.2-37.1179.2-69.1164.4149.600111.5L549 S550 L557 Q583 L590L549-E553 HydrophobicContact CB-CB 4.21Å; L549-E553 HydrophobicContact CD2-CB 4.31Å; S550-E553 VanDerWaalsContact CB-OE2 3.27Å; S550-E553 WeakPolarHBondContact CB-OE2 3.4Å; S550-E553 PolarHBondContact N-OE2 3.24Å; S550-E553 PolarHBondContact O-N 3.48Å; S550-E553 VanDerWaalsContact OG-CG 3.32Å; S550-E553 WeakPolarHBondContact OG-CG 3.33Å; S550-E553 PolarHBondContact OG-OE2 2.77Å; E553-L557 WeakPolarHBondContact O-CB 3.34Å; E553-L557 PolarHBondContact O-N 3.25Å; E553-Q583 PolarHBondContact O-NE2 2.77Å; E553-L590 HydrophobicContact CG-CD2 4.27Å
554M62.9Low60.3Low73 Ų7385.7 Ų85.736%0.3646%0.46SS..Hα-helixtrans-65-40.1170-72.6-161.7-70.300112.3L549 S550 E551 L557 R558L549-M554 HydrophobicContact CB-CG 3.54Å; L549-M554 HydrophobicContact CD1-CG 4.24Å; S550-M554 PolarHBondContact O-N 3.38Å; E551-M554 HydrophobicContact CB-CE 4.5Å; E551-M554 PolarHBondContact O-N 3.49Å; M554-L557 PolarHBondContact O-N 3.23Å; M554-R558 WeakPolarHBondContact O-CG 3.36Å; M554-R558 PolarHBondContact O-N 2.72Å
555A64Low60.6Low37 Ų3787.3 Ų87.331%0.30646%0.464SS..Hα-helixtrans-63.5-48.4175.100000110.9E551 P552 L557 R558 D559E551-A555 WeakPolarHBondContact O-CB 3.48Å; E551-A555 PolarHBondContact O-N 3.42Å; P552-A555 PolarHBondContact O-N 3.05Å; A555-L557 VanDerWaalsContact C-N 3.28Å; A555-L557 PolarHBondContact O-N 2.75Å; A555-R558 PolarHBondContact O-N 2.93Å; A555-R558 VanDerWaalsContact O-N 3.17Å; A555-D559 PolarHBondContact O-N 2.92Å
556A61.7Low60.8Low31 Ų3188.1 Ų88.126%0.25647%0.465SS..Hα-helixtrans-59.3-37.3175.600000112.8P552 F560P552-A556 WeakPolarHBondContact O-CB 3.41Å; P552-A556 PolarHBondContact O-N 3.39Å; A556-F560 VanDerWaalsContact O-CB 3.3Å; A556-F560 WeakPolarHBondContact O-CB 3.2Å; A556-F560 PolarHBondContact O-N 2.89Å
557L63.6Low60.8Low34 Ų3486.1 Ų86.118%0.17845%0.45CS..Hα-helixtrans-68.4-43.3175-177.156.4000112.2L549 E553 M554 A555 F560 V561 V581 V592L549-L557 HydrophobicContact CD1-CD2 3.68Å; E553-L557 WeakPolarHBondContact O-CB 3.34Å; E553-L557 PolarHBondContact O-N 3.25Å; M554-L557 PolarHBondContact O-N 3.23Å; A555-L557 VanDerWaalsContact C-N 3.28Å; A555-L557 PolarHBondContact O-N 2.75Å; L557-F560 PolarHBondContact O-N 3.15Å; L557-V561 HydrophobicContact CD1-CG2 4.26Å; L557-V561 WeakPolarHBondContact O-CG2 3.41Å; L557-V561 PolarHBondContact O-N 2.97Å; L557-V581 HydrophobicContact CD1-CG1 3.94Å; L557-V581 HydrophobicContact CD2-CG1 4.4Å; L557-V592 HydrophobicContact CD1-CG1 3.77Å; L557-V592 HydrophobicContact CD1-CG2 4.17Å
558R65.4Low60.5Low138 Ų13880.2 Ų80.252%0.52144%0.436SS..Hα-helixtrans-61.6-45.1175.5-76.7-175.2-67.8-102.31.9111.7M554 A555 F560 V561 A562M554-R558 WeakPolarHBondContact O-CG 3.36Å; M554-R558 PolarHBondContact O-N 2.72Å; A555-R558 PolarHBondContact O-N 2.93Å; A555-R558 VanDerWaalsContact O-N 3.17Å; R558-F560 VanDerWaalsContact C-N 3.31Å; R558-F560 PolarHBondContact O-N 3.01Å; R558-V561 PolarHBondContact O-N 3.48Å; R558-A562 VanDerWaalsContact O-CB 3.27Å; R558-A562 WeakPolarHBondContact O-CB 3.28Å; R558-A562 PolarHBondContact O-N 3.21Å
559D65.7Low60.2Low101 Ų10177.6 Ų77.654%0.5441%0.412SS..Hα-helixtrans-67.8-30.7177.6-75.61.9000112.7A555 R563A555-D559 PolarHBondContact O-N 2.92Å; D559-R563 WeakPolarHBondContact O-CB 3.39Å; D559-R563 WeakPolarHBondContact O-CG 3.41Å; D559-R563 PolarHBondContact O-N 3.41Å; D559-R563 PolarHBondContact O-NE 2.83Å
560F61.8Low59.8Low60 Ų6077.9 Ų77.926%0.26341%0.413SS..Hα-helixtrans-66.8-50.4170.7176.5-93.1000111.1A556 L557 R558 N564 V592A556-F560 VanDerWaalsContact O-CB 3.3Å; A556-F560 WeakPolarHBondContact O-CB 3.2Å; A556-F560 PolarHBondContact O-N 2.89Å; L557-F560 PolarHBondContact O-N 3.15Å; R558-F560 VanDerWaalsContact C-N 3.31Å; R558-F560 PolarHBondContact O-N 3.01Å; F560-N564 WeakPolarHBondContact CD2-ND2 3.45Å; F560-N564 VanDerWaalsContact CE2-ND2 3.33Å; F560-N564 WeakPolarHBondContact CE2-ND2 3.32Å; F560-N564 PolarHBondContact O-N 3.11Å; F560-N564 VanDerWaalsContact O-N 3.1Å; F560-N564 PolarHBondContact O-ND2 3.48Å; F560-V592 HydrophobicContact CB-CG2 3.96Å; F560-V592 HydrophobicContact CD1-CB 3.97Å; F560-V592 HydrophobicContact CD1-CG1 3.95Å; F560-V592 HydrophobicContact CD1-CG2 4.06Å; F560-V592 HydrophobicContact CD2-CB 4.16Å; F560-V592 HydrophobicContact CD2-CG2 4.11Å; F560-V592 HydrophobicContact CE1-CB 4.07Å; F560-V592 HydrophobicContact CE1-CG1 3.97Å; F560-V592 HydrophobicContact CE2-CB 4.25Å; F560-V592 HydrophobicContact CG-CB 4.02Å; F560-V592 HydrophobicContact CG-CG1 4.48Å; F560-V592 HydrophobicContact CG-CG2 3.77Å; F560-V592 HydrophobicContact CZ-CB 4.21Å
561V59.6Low59Low62 Ų6281 Ų8138%0.37643%0.43SS..Hα-helixtrans-63.8-47.2-179.8171.70000111L557 R558 R563 N564 V565 I570L557-V561 HydrophobicContact CD1-CG2 4.26Å; L557-V561 WeakPolarHBondContact O-CG2 3.41Å; L557-V561 PolarHBondContact O-N 2.97Å; R558-V561 PolarHBondContact O-N 3.48Å; V561-R563 VanDerWaalsContact C-N 3.32Å; V561-R563 PolarHBondContact O-N 2.86Å; V561-N564 PolarHBondContact O-N 2.79Å; V561-V565 HydrophobicContact CG1-CG2 4.07Å; V561-V565 WeakPolarHBondContact O-CB 3.49Å; V561-V565 VanDerWaalsContact O-CG2 3.28Å; V561-V565 WeakPolarHBondContact O-CG2 3.38Å; V561-V565 PolarHBondContact O-N 2.95Å; V561-I570 HydrophobicContact CB-CD1 4.43Å; V561-I570 HydrophobicContact CG1-CD1 4.17Å; V561-I570 HydrophobicContact CG2-CD1 4.42Å
562A61.5Low58Low61 Ų6179.1 Ų79.150%0.50443%0.431SS..Hα-helixtrans-60.5-38.6-178.300000113.1R558 K566R558-A562 VanDerWaalsContact O-CB 3.27Å; R558-A562 WeakPolarHBondContact O-CB 3.28Å; R558-A562 PolarHBondContact O-N 3.21Å; A562-K566 VanDerWaalsContact O-CB 3.27Å; A562-K566 WeakPolarHBondContact O-CB 3.43Å; A562-K566 PolarHBondContact O-N 3.19Å; A562-K566 VanDerWaalsContact O-N 3.11Å
563R60.5Low57.4Low145 Ų14579.7 Ų79.755%0.54743%0.433SS..Hα-helixtrans-67.6-55173.9-75.8179.2-69.1161.4-0.5111.6D559 V561 V565 K566 D567D559-R563 WeakPolarHBondContact O-CB 3.39Å; D559-R563 WeakPolarHBondContact O-CG 3.41Å; D559-R563 PolarHBondContact O-N 3.41Å; D559-R563 PolarHBondContact O-NE 2.83Å; V561-R563 VanDerWaalsContact C-N 3.32Å; V561-R563 PolarHBondContact O-N 2.86Å; R563-V565 PolarHBondContact O-N 3.42Å; R563-K566 WeakPolarHBondContact O-CA 3.27Å; R563-K566 WeakPolarHBondContact O-CB 3.49Å; R563-K566 PolarHBondContact O-N 2.88Å; R563-D567 WeakPolarHBondContact O-CB 3.42Å; R563-D567 PolarHBondContact O-N 3.35Å; R563-D567 VanDerWaalsContact O-OD2 3.14Å
564N54.8Low56.6Low23 Ų2385 Ų8512%0.12346%0.461CS..Hα-helixtrans-64.2-26.6-177.4-70.4-85.1000113.3F560 V561 G568 L569 I570F560-N564 WeakPolarHBondContact CD2-ND2 3.45Å; F560-N564 VanDerWaalsContact CE2-ND2 3.33Å; F560-N564 WeakPolarHBondContact CE2-ND2 3.32Å; F560-N564 PolarHBondContact O-N 3.11Å; F560-N564 VanDerWaalsContact O-N 3.1Å; F560-N564 PolarHBondContact O-ND2 3.48Å; V561-N564 PolarHBondContact O-N 2.79Å; N564-G568 PolarHBondContact O-N 2.93Å; N564-L569 HydrophobicContact CB-CB 4.2Å; N564-L569 PolarHBondContact O-N 3.43Å; N564-L569 WeakPolarHBondContact OD1-CD1 3.4Å; N564-I570 HydrophobicContact CB-CD1 3.76Å; N564-I570 HydrophobicContact CB-CG1 3.73Å; N564-I570 HydrophobicContact CB-CG2 4.29Å; N564-I570 PolarHBondContact O-N 3Å; N564-I570 VanDerWaalsContact O-N 3.09Å
565V56.9Low55.8Low64 Ų6482.7 Ų82.739%0.38845%0.454SS..Hα-helixtrans-71.1-45.3169.7171.20000111.3V561 R563 D567 G568 I570V561-V565 HydrophobicContact CG1-CG2 4.07Å; V561-V565 WeakPolarHBondContact O-CB 3.49Å; V561-V565 VanDerWaalsContact O-CG2 3.28Å; V561-V565 WeakPolarHBondContact O-CG2 3.38Å; V561-V565 PolarHBondContact O-N 2.95Å; R563-V565 PolarHBondContact O-N 3.42Å; V565-D567 VanDerWaalsContact C-N 3.27Å; V565-D567 PolarHBondContact O-N 3.09Å; V565-G568 PolarHBondContact O-N 3.02Å; V565-I570 WeakPolarHBondContact CA-O 3.42Å; V565-I570 HydrophobicContact CG2-CD1 4.09Å; V565-I570 HydrophobicContact CG2-CG1 3.68Å
566K57.6Low54.7Low176 Ų17685.7 Ų85.777%0.76547%0.471SS*.Hα-helixtrans-62-37.3177.6-177.7-167.2172.5-162.30112A562 R563 G568A562-K566 VanDerWaalsContact O-CB 3.27Å; A562-K566 WeakPolarHBondContact O-CB 3.43Å; A562-K566 PolarHBondContact O-N 3.19Å; A562-K566 VanDerWaalsContact O-N 3.11Å; R563-K566 WeakPolarHBondContact O-CA 3.27Å; R563-K566 WeakPolarHBondContact O-CB 3.49Å; R563-K566 PolarHBondContact O-N 2.88Å; K566-G568 VanDerWaalsContact C-N 3.27Å; K566-G568 PolarHBondContact O-N 3.26Å
567D51.2Low54.1Low97 Ų9786.9 Ų86.952%0.51947%0.473SS..THydrogen-bonded Turntrans-87.76.3-177.1-53.8-26.6000112R563 V565 L569R563-D567 WeakPolarHBondContact O-CB 3.42Å; R563-D567 PolarHBondContact O-N 3.35Å; R563-D567 VanDerWaalsContact O-OD2 3.14Å; V565-D567 VanDerWaalsContact C-N 3.27Å; V565-D567 PolarHBondContact O-N 3.09Å; D567-L569 HydrophobicContact CB-CD1 4.39Å; D567-L569 HydrophobicContact CB-CG 4.33Å; D567-L569 PolarHBondContact O-N 2.73Å
568G48Very low53.5Low31 Ų3188.7 Ų88.732%0.3250%0.5SS..THydrogen-bonded Turntrans77.5-6.1175.600000116.1N564 V565 K566 I570N564-G568 PolarHBondContact O-N 2.93Å; V565-G568 PolarHBondContact O-N 3.02Å; K566-G568 VanDerWaalsContact C-N 3.27Å; K566-G568 PolarHBondContact O-N 3.26Å; G568-I570 PolarHBondContact O-N 3.43Å
569L48.8Very low52.8Low74 Ų7485.1 Ų85.139%0.38750%0.5SS..SBendtrans-71.9-24.2-172.4-59.4177.7000114.6Y522 N564 D567Y522-L569 HydrophobicContact CD2-CD1 3.82Å; Y522-L569 HydrophobicContact CD2-CD2 3.44Å; Y522-L569 VanDerWaalsContact CD2-CD2 3.44Å; Y522-L569 HydrophobicContact CD2-CG 4.26Å; Y522-L569 HydrophobicContact CE2-CD1 3.72Å; Y522-L569 HydrophobicContact CE2-CD2 4.07Å; Y522-L569 HydrophobicContact CE2-CG 4.47Å; Y522-L569 HydrophobicContact CG-CD2 3.82Å; N564-L569 HydrophobicContact CB-CB 4.2Å; N564-L569 PolarHBondContact O-N 3.43Å; N564-L569 WeakPolarHBondContact OD1-CD1 3.4Å; D567-L569 HydrophobicContact CB-CD1 4.39Å; D567-L569 HydrophobicContact CB-CG 4.33Å; D567-L569 PolarHBondContact O-N 2.73Å
570I53.4Low52.2Low66 Ų6683.5 Ų83.534%0.33849%0.489SS..  trans-136.3141.417167.4-178.1000110.8V561 N564 V565 G568V561-I570 HydrophobicContact CB-CD1 4.43Å; V561-I570 HydrophobicContact CG1-CD1 4.17Å; V561-I570 HydrophobicContact CG2-CD1 4.42Å; N564-I570 HydrophobicContact CB-CD1 3.76Å; N564-I570 HydrophobicContact CB-CG1 3.73Å; N564-I570 HydrophobicContact CB-CG2 4.29Å; N564-I570 PolarHBondContact O-N 3Å; N564-I570 VanDerWaalsContact O-N 3.09Å; V565-I570 WeakPolarHBondContact CA-O 3.42Å; V565-I570 HydrophobicContact CG2-CD1 4.09Å; V565-I570 HydrophobicContact CG2-CG1 3.68Å; G568-I570 PolarHBondContact O-N 3.43Å
571T49Very low51.9Low120 Ų12083.4 Ų83.474%0.73649%0.493SS*.  trans-114.6149.6177.551.30000111.5T573T571-T573 PolarHBondContact O-N 3.02Å
572P48.6Very low51.4Low113 Ų11383.9 Ų83.973%0.73449%0.493SS*.  trans-61.4127.5174.5-22.734.1000111.4
573T49.3Very low51.1Low103 Ų10383 Ų8363%0.63248%0.479SS*.  trans-80147.5175.5-171.60000111.7T571 A575T571-T573 PolarHBondContact O-N 3.02Å; T573-A575 VanDerWaalsContact C-N 3.3Å; T573-A575 HydrophobicContact CG2-CB 4.09Å; T573-A575 PolarHBondContact OG1-N 3.14Å
574I43.4Very low50.5Low175 Ų17579.7 Ų79.790%0.89747%0.474SS*.  trans-86.21.5170.659.3171.1000113.1
575A47.3Very low50.1Low25 Ų2586 Ų8621%0.20750%0.501CS..  trans-66.6138.617700000111.2I541 T573 N577I541-A575 HydrophobicContact CD1-CB 4.48Å; T573-A575 VanDerWaalsContact C-N 3.3Å; T573-A575 HydrophobicContact CG2-CB 4.09Å; T573-A575 PolarHBondContact OG1-N 3.14Å; A575-N577 PolarHBondContact O-N 3.33Å
576P39.9Very low49.3Very low100 Ų10091.7 Ų91.765%0.64952%0.515SS*.SBendtrans-71-11.7-176.627.3-34.1000114.2H539H539-P576 WeakPolarHBondContact O-CG 3.48Å
577N50.7Low49Very low56 Ų5686.2 Ų86.230%0.29951%0.509SS..SBendtrans-124.4138.2-176-60.55000110.1I541 A575I541-N577 HydrophobicContact CB-CB 4.26Å; I541-N577 PolarHBondContact O-ND2 3.32Å; A575-N577 PolarHBondContact O-N 3.33Å
578G49.5Very low48.5Very low73 Ų7394.2 Ų94.275%0.75353%0.532SS*.PPolyproline II helixtrans-7715017600000113.9
579A51.1Low48.3Very low63 Ų6399.7 Ų99.752%0.52155%0.547SS..PPolyproline II helixtrans-80.7154174.100000112.4
580Q53.9Low48.5Very low67 Ų6799.5 Ų99.531%0.31355%0.546SS..PPolyproline II helixtrans-75.8133.8178.3-74172.672.400112.1D595Q580-D595 PolarHBondContact O-N 3.3Å
581V54.1Low48.6Very low57 Ų57100.1 Ų100.135%0.34555%0.547SS..EExtended strand (participates in β ladder)trans-112.7128.3176.9178.30000109.2L557 V592L557-V581 HydrophobicContact CD1-CG1 3.94Å; L557-V581 HydrophobicContact CD2-CG1 4.4Å; V581-V592 HydrophobicContact CG1-CG1 3.45Å; V581-V592 VanDerWaalsContact CG1-CG1 3.45Å
582L50.9Low48.8Very low72 Ų7295.6 Ų95.638%0.37752%0.519SS..EExtended strand (participates in β ladder)trans-112.3118.3177.3-64.4172000108.4S593 D595L582-S593 CarbonylContact C-O 3.59Å; L582-S593 PolarHBondContact N-O 3.1Å; L582-S593 CarbonylContact O-C 3.58Å; L582-S593 WeakPolarHBondContact O-CA 3.44Å; L582-S593 VanDerWaalsContact O-CB 3.3Å; L582-S593 WeakPolarHBondContact O-CB 3.44Å; L582-S593 PolarHBondContact O-N 3.34Å; L582-D595 HydrophobicContact CD1-CB 4.12Å
583Q54.6Low49Very low44 Ų4492.5 Ų92.521%0.20650%0.5CS..EExtended strand (participates in β ladder)trans-90.6134172.8-73.1-175.2-1.400110.8E553 Q591 V592E553-Q583 PolarHBondContact O-NE2 2.77Å; Q583-Q591 WeakPolarHBondContact CA-O 3.43Å; Q583-V592 HydrophobicContact CG-CG2 4.36Å
584V48Very low49.3Very low75 Ų7596 Ų9646%0.45550%0.503SS..EExtended strand (participates in β ladder)trans-121.9129.8176.6-176.20000108.7R586 Q591V584-R586 PolarHBondContact O-N 3.22Å; V584-Q591 PolarHBondContact N-O 3.33Å; V584-Q591 PolarHBondContact O-N 3.33Å; V584-Q591 VanDerWaalsContact O-N 3.17Å
585K46.5Very low49.7Very low155 Ų15589.1 Ų89.167%0.67447%0.468SS*.EExtended strand (participates in β ladder)trans-90.7102.9-178.5-162.5172.5-174174.60110.1
586R39Very low50Low183 Ų18390.6 Ų90.669%0.69148%0.477SS*.EExtended strand (participates in β ladder)trans-98.5101.2172.8-90.7-176.5164.2-171.3-3109.4V584 W588 K589V584-R586 PolarHBondContact O-N 3.22Å; R586-W588 PolarHBondContact O-N 3.15Å; R586-K589 PolarHBondContact N-O 2.88Å; R586-K589 PolarHBondContact O-N 2.83Å
587G52.1Low50.7Low61 Ų6194.3 Ų94.363%0.62948%0.478SS*.THydrogen-bonded Turntrans65.2-128.7-175.100000112
588W40.8Very low50.8Low265 Ų26593.1 Ų93.1100%1.00448%0.476SS*.THydrogen-bonded Turntrans-85.8-7.1-177.3-54.9102.9000114.3R586R586-W588 PolarHBondContact O-N 3.15Å
589K43.8Very low51Low146 Ų14690.9 Ų90.964%0.63545%0.448SS*.EExtended strand (participates in β ladder)trans-108.7135.4-171.3-162.3176.7177.7-171.60110.8R586R586-K589 PolarHBondContact N-O 2.88Å; R586-K589 PolarHBondContact O-N 2.83Å
590L53.1Low51.4Low71 Ų7191 Ų9137%0.37244%0.44SS..EExtended strand (participates in β ladder)trans-77125.4169.6-80.6143.6000108.9E553E553-L590 HydrophobicContact CG-CD2 4.27Å
591Q54.3Low51.5Low79 Ų7993.7 Ų93.737%0.36946%0.456SS..EExtended strand (participates in β ladder)trans-117.3134.2176.4-165.9166.919.300109.7Q583 V584Q583-Q591 WeakPolarHBondContact CA-O 3.43Å; V584-Q591 PolarHBondContact N-O 3.33Å; V584-Q591 PolarHBondContact O-N 3.33Å; V584-Q591 VanDerWaalsContact O-N 3.17Å
592V54.3Low51.5Low24 Ų2494.3 Ų94.315%0.14545%0.454CS..EExtended strand (participates in β ladder)trans-92.2125.9-179.1-1760000108.7L557 F560 V581 Q583L557-V592 HydrophobicContact CD1-CG1 3.77Å; L557-V592 HydrophobicContact CD1-CG2 4.17Å; F560-V592 HydrophobicContact CB-CG2 3.96Å; F560-V592 HydrophobicContact CD1-CB 3.97Å; F560-V592 HydrophobicContact CD1-CG1 3.95Å; F560-V592 HydrophobicContact CD1-CG2 4.06Å; F560-V592 HydrophobicContact CD2-CB 4.16Å; F560-V592 HydrophobicContact CD2-CG2 4.11Å; F560-V592 HydrophobicContact CE1-CB 4.07Å; F560-V592 HydrophobicContact CE1-CG1 3.97Å; F560-V592 HydrophobicContact CE2-CB 4.25Å; F560-V592 HydrophobicContact CG-CB 4.02Å; F560-V592 HydrophobicContact CG-CG1 4.48Å; F560-V592 HydrophobicContact CG-CG2 3.77Å; F560-V592 HydrophobicContact CZ-CB 4.21Å; V581-V592 HydrophobicContact CG1-CG1 3.45Å; V581-V592 VanDerWaalsContact CG1-CG1 3.45Å; Q583-V592 HydrophobicContact CG-CG2 4.36Å
593S52.2Low51.4Low48 Ų4891.6 Ų91.634%0.33644%0.441SS..EExtended strand (participates in β ladder)trans-122157.9171.3-57.20000109.4L582L582-S593 CarbonylContact C-O 3.59Å; L582-S593 PolarHBondContact N-O 3.1Å; L582-S593 CarbonylContact O-C 3.58Å; L582-S593 WeakPolarHBondContact O-CA 3.44Å; L582-S593 VanDerWaalsContact O-CB 3.3Å; L582-S593 WeakPolarHBondContact O-CB 3.44Å; L582-S593 PolarHBondContact O-N 3.34Å
594Y56.3Low51.3Low177 Ų17792.5 Ų92.569%0.69445%0.446SS*.EExtended strand (participates in β ladder)trans-129.2142.3179.851.5-90.9000110.1C596Y594-C596 HydrophobicContact CD2-CB 4.31Å; Y594-C596 HydrophobicContact CE2-CB 4.44Å; Y594-C596 PolarHBondContact O-N 3.11Å
595D52.3Low51.2Low31 Ų3194.9 Ų94.917%0.16645%0.453CS..  trans-93.496.1177.4-168.5-8.7000110.5Q580 L582 R597 P599Q580-D595 PolarHBondContact O-N 3.3Å; L582-D595 HydrophobicContact CD1-CB 4.12Å; D595-R597 VanDerWaalsContact C-N 3.27Å; D595-R597 PolarHBondContact O-N 2.86Å; D595-R597 WeakPolarHBondContact OD1-CB 3.27Å; D595-R597 WeakPolarHBondContact OD1-CG 3.28Å; D595-R597 IonicContact OD1-CZ 2.86Å; D595-R597 PolarHBondContact OD1-N 3.33Å; D595-R597 IonicContact OD1-NE 2.68Å; D595-R597 PolarHBondContact OD1-NE 2.79Å; D595-R597 IonicContact OD1-NH2 3.78Å; D595-R597 IonicContact OD2-CZ 3.34Å; D595-R597 IonicContact OD2-NE 3.18Å; D595-R597 PolarHBondContact OD2-NE 3.35Å; D595-R597 IonicContact OD2-NH2 3.72Å; D595-R597 PolarHBondContact OD2-NH2 2.97Å; D595-P599 WeakPolarHBondContact O-CD 3.48Å
596C52.1Low50.9Low56 Ų5692.3 Ų92.338%0.37845%0.446SS..  trans-77.8-4.617857.80000114.1Y594 A598 P599 N600Y594-C596 HydrophobicContact CD2-CB 4.31Å; Y594-C596 HydrophobicContact CE2-CB 4.44Å; Y594-C596 PolarHBondContact O-N 3.11Å; C596-A598 PolarHBondContact O-N 3.08Å; C596-P599 WeakPolarHBondContact O-CD 3.47Å; C596-N600 VanDerWaalsContact O-CB 3.29Å; C596-N600 WeakPolarHBondContact O-CB 3.33Å; C596-N600 PolarHBondContact O-N 3.4Å; C596-N600 PolarHBondContact O-ND2 3.11Å; C596-N600 PolarHBondContact O-OD1 3.42Å
597R55.1Low50.8Low178 Ų17892.6 Ų92.667%0.67246%0.455SS*.Hα-helixtrans-64.1-43.5-174.8-63.5175.9-66.1173.61.2112.8D595D595-R597 VanDerWaalsContact C-N 3.27Å; D595-R597 PolarHBondContact O-N 2.86Å; D595-R597 WeakPolarHBondContact OD1-CB 3.27Å; D595-R597 WeakPolarHBondContact OD1-CG 3.28Å; D595-R597 IonicContact OD1-CZ 2.86Å; D595-R597 PolarHBondContact OD1-N 3.33Å; D595-R597 IonicContact OD1-NE 2.68Å; D595-R597 PolarHBondContact OD1-NE 2.79Å; D595-R597 IonicContact OD1-NH2 3.78Å; D595-R597 IonicContact OD2-CZ 3.34Å; D595-R597 IonicContact OD2-NE 3.18Å; D595-R597 PolarHBondContact OD2-NE 3.35Å; D595-R597 IonicContact OD2-NH2 3.72Å; D595-R597 PolarHBondContact OD2-NH2 2.97Å
598A53.7Low49.8Very low31 Ų3195.8 Ų95.826%0.25645%0.449SS..Hα-helixtrans-73.2-45.8178.800000112.9C596 N600 N601 F602C596-A598 PolarHBondContact O-N 3.08Å; A598-N600 PolarHBondContact O-N 2.93Å; A598-N601 PolarHBondContact O-N 3.34Å; A598-F602 VanDerWaalsContact O-CD2 3.27Å; A598-F602 WeakPolarHBondContact O-CD2 3.37Å; A598-F602 WeakPolarHBondContact O-CE2 3.38Å
599P52.5Low49.2Very low25 Ų2588.2 Ų88.216%0.16243%0.434CS..Hα-helixtrans-57.3-42.8173.2-28.535.9000114.4D595 C596 N601 F602D595-P599 WeakPolarHBondContact O-CD 3.48Å; C596-P599 WeakPolarHBondContact O-CD 3.47Å; P599-N601 PolarHBondContact O-N 2.98Å; P599-N601 VanDerWaalsContact O-N 3.08Å; P599-F602 PolarHBondContact O-N 3.41Å
600N58.9Low48.4Very low67 Ų6792.5 Ų92.536%0.35845%0.446SS..Hα-helixtrans-58.8-25.1-177.1-75.9-1.3000114C596 A598 F602 T603 Q605C596-N600 VanDerWaalsContact O-CB 3.29Å; C596-N600 WeakPolarHBondContact O-CB 3.33Å; C596-N600 PolarHBondContact O-N 3.4Å; C596-N600 PolarHBondContact O-ND2 3.11Å; C596-N600 PolarHBondContact O-OD1 3.42Å; A598-N600 PolarHBondContact O-N 2.93Å; N600-F602 PolarHBondContact O-N 3.3Å; N600-T603 PolarHBondContact O-N 3.18Å; N600-T603 PolarHBondContact O-OG1 3.01Å; N600-Q605 PolarHBondContact O-NE2 3.34Å
601N58Low47.2Very low123 Ų12394.5 Ų94.566%0.65846%0.457SS*.THydrogen-bonded Turntrans-70.8-13177.2-70.2-14.1000113.6A598 P599A598-N601 PolarHBondContact O-N 3.34Å; P599-N601 PolarHBondContact O-N 2.98Å; P599-N601 VanDerWaalsContact O-N 3.08Å
602F52.7Low46.1Very low69 Ų6995.3 Ų95.330%0.30347%0.472SS..THydrogen-bonded Turntrans-113.35.5-179.1-57.1-81.7000112.9I535 A538 P542 A598 P599 N600I535-F602 WeakPolarHBondContact CG1-O 3.31Å; I535-F602 PolarHBondContact N-O 2.85Å; A538-F602 HydrophobicContact CB-CB 4.35Å; P542-F602 HydrophobicContact CG-CE2 3.76Å; P542-F602 HydrophobicContact CG-CZ 4.09Å; A598-F602 VanDerWaalsContact O-CD2 3.27Å; A598-F602 WeakPolarHBondContact O-CD2 3.37Å; A598-F602 WeakPolarHBondContact O-CE2 3.38Å; P599-F602 PolarHBondContact O-N 3.41Å; N600-F602 PolarHBondContact O-N 3.3Å
603T50.3Low45Very low15 Ų15101.8 Ų101.89%0.09250%0.504CS..BIsolated β-bridgetrans-94.5151.3175.463.80000111I532 E533 M534 N600 Q605I532-T603 HydrophobicContact CG2-CG2 3.32Å; E533-T603 CarbonylContact O-C 3.59Å; E533-T603 VanDerWaalsContact O-CA 3.32Å; E533-T603 WeakPolarHBondContact O-CA 3.32Å; M534-T603 HydrophobicContact SD-CG2 3.87Å; N600-T603 PolarHBondContact O-N 3.18Å; N600-T603 PolarHBondContact O-OG1 3.01Å; T603-Q605 PolarHBondContact O-N 3.34Å; T603-Q605 VanDerWaalsContact O-N 3.08Å; T603-Q605 PolarHBondContact OG1-NE2 3.48Å
604I51.5Low44.1Very low64 Ų64101.8 Ų101.833%0.32850%0.502SS..  trans-68.6107.7174.5-59.2-175.6000108.1E533 I535 N606E533-I604 HydrophobicContact CB-CB 4.28Å; E533-I604 HydrophobicContact CB-CD1 3.82Å; E533-I604 HydrophobicContact CB-CG1 4.13Å; E533-I604 PolarHBondContact O-N 2.87Å; I535-I604 HydrophobicContact CG1-CG1 4.26Å; I604-N606 PolarHBondContact O-N 3.43Å; I604-N606 VanDerWaalsContact O-N 3.08Å
605Q46.4Very low43.1Very low125 Ų12598.6 Ų98.658%0.58450%0.497SS*.  trans-73.599.5178.9-66.9-65.2-40.400109.8N600 T603 Q607N600-Q605 PolarHBondContact O-NE2 3.34Å; T603-Q605 PolarHBondContact O-N 3.34Å; T603-Q605 VanDerWaalsContact O-N 3.08Å; T603-Q605 PolarHBondContact OG1-NE2 3.48Å; Q605-Q607 PolarHBondContact O-N 2.93Å
606N40.5Very low42.5Very low100 Ų100103.4 Ų103.454%0.53552%0.522SS..  trans-62.6103.5172.3-76.3-41000110I604 Y608I604-N606 PolarHBondContact O-N 3.43Å; I604-N606 VanDerWaalsContact O-N 3.08Å; N606-Y608 HydrophobicContact CB-CD2 4.2Å; N606-Y608 HydrophobicContact CB-CE2 3.54Å; N606-Y608 VanDerWaalsContact O-CD2 3.31Å; N606-Y608 WeakPolarHBondContact O-CD2 3.15Å; N606-Y608 PolarHBondContact O-N 2.92Å
607Q35.8Very low41.7Very low189 Ų189109.2 Ų109.288%0.88354%0.544SS*.  trans-74.887.1178.6-68.5-1713.600110.8Q605Q605-Q607 PolarHBondContact O-N 2.93Å
608Y32.3Very low41Very low128 Ų128103.9 Ų103.950%0.50253%0.529SS..  trans-79.4137.1161.8-57.4-76000109.4N606 R610N606-Y608 HydrophobicContact CB-CD2 4.2Å; N606-Y608 HydrophobicContact CB-CE2 3.54Å; N606-Y608 VanDerWaalsContact O-CD2 3.31Å; N606-Y608 WeakPolarHBondContact O-CD2 3.15Å; N606-Y608 PolarHBondContact O-N 2.92Å; Y608-R610 PolarHBondContact O-N 3.17Å
609P27.1Very low40.1Very low107 Ų107110.4 Ų110.470%0.69555%0.554SS**  trans-63.9103.6175.625.6-32.9000110.1L611P609-L611 PolarHBondContact O-N 3.32Å
610R27.6Very low39.3Very low235 Ų235112.8 Ų112.889%0.88758%0.575SS**  trans-76.5107.4169.3-78.2-172.1175.3-162.5-0.2109.1Y608 S612Y608-R610 PolarHBondContact O-N 3.17Å; R610-S612 PolarHBondContact O-N 3.29Å
611L27.2Very low38.2Very low114 Ų114114.2 Ų114.260%0.59758%0.58SS**  trans-75.7112156.9-77.1164.3000108.1P609 Y625P609-L611 PolarHBondContact O-N 3.32Å; L611-Y625 HydrophobicContact CD2-CE1 4.05Å
612S32.1Very low37.1Very low96 Ų96112.2 Ų112.267%0.67157%0.569SS**PPolyproline II helixtrans-65.8137165.5-66.30000108.8R610 P614R610-S612 PolarHBondContact O-N 3.29Å; S612-P614 WeakPolarHBondContact O-CD 3.41Å; S612-P614 VanDerWaalsContact O-N 3.16Å
613I30.5Very low36.1Very low160 Ų160111.8 Ų111.882%0.82158%0.578SS**PPolyproline II helixtrans-60.1118.6177.6-56.4173.2000107.9
614P32.5Very low35.3Very low47 Ų47114.9 Ų114.931%0.30560%0.597SS.*PPolyproline II helixtrans-70.7151.3-178.529.1-34.1000110.5S612 L616 Y625S612-P614 WeakPolarHBondContact O-CD 3.41Å; S612-P614 VanDerWaalsContact O-N 3.16Å; P614-L616 PolarHBondContact O-N 2.92Å; P614-L616 VanDerWaalsContact O-N 3.11Å; P614-Y625 HydrophobicContact CB-CE2 4.06Å
615N36.3Very low34.5Very low110 Ų110116.6 Ų116.659%0.58860%0.6SS**  trans-72.1106.1175.3-164.420000109E617 D618N615-E617 PolarHBondContact O-N 3.44Å; N615-D618 PolarHBondContact O-N 3.31Å
616L38.7Very low33.8Very low132 Ų132115.8 Ų115.869%0.69160%0.604SS**THydrogen-bonded Turntrans-65.2-8.4-169.5-75.6162.2000114.7P614P614-L616 PolarHBondContact O-N 2.92Å; P614-L616 VanDerWaalsContact O-N 3.11Å
617E36.3Very low33.3Very low179 Ų179118.5 Ų118.584%0.83661%0.613SS**THydrogen-bonded Turntrans-92.2-9.8-179.8-60.4-179174.200113.3N615N615-E617 PolarHBondContact O-N 3.44Å
618D39Very low33.1Very low65 Ų65118.5 Ų118.535%0.34861%0.611SS.*  trans-104.4104.7-177.7-173.4-9.4000112.4N615 A620 H621 L622N615-D618 PolarHBondContact O-N 3.31Å; D618-A620 VanDerWaalsContact C-N 3.32Å; D618-A620 PolarHBondContact O-N 2.98Å; D618-A620 WeakPolarHBondContact OD1-CB 3.3Å; D618-A620 PolarHBondContact OD1-N 3.24Å; D618-H621 HydrophobicContact CB-CB 4.04Å; D618-H621 PolarHBondContact O-N 3.48Å; D618-H621 PolarHBondContact OD1-N 2.93Å; D618-H621 IonicContact OD2-CD2 2.75Å; D618-L622 PolarHBondContact O-N 3.16Å
619Q36.3Very low33.1Very low169 Ų169117.3 Ų117.379%0.7962%0.616SS**Hα-helixtrans-66-28178.7-72.3-173-25.200113.9H621 L622 A623Q619-H621 VanDerWaalsContact C-N 3.31Å; Q619-L622 PolarHBondContact O-N 2.92Å; Q619-A623 PolarHBondContact O-N 3.46Å
620A34.8Very low33.2Very low74 Ų74117.3 Ų117.361%0.61262%0.616SS**Hα-helixtrans-70.6-34.1177.600000111.1D618 L622 T624D618-A620 VanDerWaalsContact C-N 3.32Å; D618-A620 PolarHBondContact O-N 2.98Å; D618-A620 WeakPolarHBondContact OD1-CB 3.3Å; D618-A620 PolarHBondContact OD1-N 3.24Å; A620-L622 VanDerWaalsContact C-N 3.35Å; A620-T624 PolarHBondContact O-OG1 2.81Å
621H36.4Very low33.4Very low97 Ų97115.3 Ų115.345%0.44962%0.617SS.*Hα-helixtrans-73.8-24177.4-128.1-63.6000113.4D618 Q619 Y625D618-H621 HydrophobicContact CB-CB 4.04Å; D618-H621 PolarHBondContact O-N 3.48Å; D618-H621 PolarHBondContact OD1-N 2.93Å; D618-H621 IonicContact OD2-CD2 2.75Å; Q619-H621 VanDerWaalsContact C-N 3.31Å; H621-Y625 WeakPolarHBondContact O-CD2 3.39Å; H621-Y625 VanDerWaalsContact O-CE2 3.32Å; H621-Y625 WeakPolarHBondContact O-CE2 3.17Å
622L34.4Very low33.6Very low81 Ų81115.2 Ų115.242%0.42462%0.616SS.*Hα-helixtrans-74.3-38.9173.1-82.2158.9000112.3D618 Q619 A620 T624 Y625D618-L622 PolarHBondContact O-N 3.16Å; Q619-L622 PolarHBondContact O-N 2.92Å; A620-L622 VanDerWaalsContact C-N 3.35Å; L622-T624 PolarHBondContact O-N 2.98Å; L622-Y625 PolarHBondContact O-N 3.26Å; L622-Y625 VanDerWaalsContact O-N 3.15Å
623A32.9Very low33.4Very low60 Ų60116.9 Ų116.950%0.49662%0.624SS.*Hα-helixtrans-62.4-25.7-178.500000113.9Q619 Y625 T626Q619-A623 PolarHBondContact O-N 3.46Å; A623-Y625 VanDerWaalsContact C-N 3.32Å; A623-Y625 PolarHBondContact O-N 3.28Å; A623-T626 PolarHBondContact O-OG1 2.93Å
624T33.4Very low33.5Very low80 Ų80113.2 Ų113.249%0.49163%0.626SS.*THydrogen-bonded Turntrans-75.1-18.7178.4-11.80000113.4A620 L622A620-T624 PolarHBondContact O-OG1 2.81Å; L622-T624 PolarHBondContact O-N 2.98Å
625Y34.4Very low33.3Very low100 Ų100118.6 Ų118.639%0.39264%0.641SS.*THydrogen-bonded Turntrans-84.3-24.8179.6-73.1-78.7000113.3L611 P614 H621 L622 A623 E627 F628L611-Y625 HydrophobicContact CD2-CE1 4.05Å; P614-Y625 HydrophobicContact CB-CE2 4.06Å; H621-Y625 WeakPolarHBondContact O-CD2 3.39Å; H621-Y625 VanDerWaalsContact O-CE2 3.32Å; H621-Y625 WeakPolarHBondContact O-CE2 3.17Å; L622-Y625 PolarHBondContact O-N 3.26Å; L622-Y625 VanDerWaalsContact O-N 3.15Å; A623-Y625 VanDerWaalsContact C-N 3.32Å; A623-Y625 PolarHBondContact O-N 3.28Å; Y625-E627 PolarHBondContact O-N 3.46Å; Y625-F628 PolarHBondContact O-N 3.08Å
626T30.5Very low32.9Very low108 Ų108122 Ų12266%0.66365%0.654SS**G310 helixtrans-65.1-21.6175.922.10000113.7A623A623-T626 PolarHBondContact O-OG1 2.93Å
627E30.5Very low32.4Very low158 Ų158122 Ų12274%0.73866%0.66SS**G310 helixtrans-78.3-16.4179.3-61.8-173.6149.400113.9Y625Y625-E627 PolarHBondContact O-N 3.46Å
628F31Very low31.9Very low189 Ų189122.6 Ų122.683%0.82966%0.656SS**G310 helixtrans-93.43.2-177.5-103.7-83.9000114.8Y625 P630Y625-F628 PolarHBondContact O-N 3.08Å; F628-P630 WeakPolarHBondContact O-CD 3.32Å
629V32.2Very low31.3Very low103 Ų103124.5 Ų124.562%0.62467%0.671SS**SBendtrans-87.7117.9170.6-176.70000108.4Q631V629-Q631 PolarHBondContact O-N 2.93Å
630P30.2Very low31.1Very low106 Ų106123.1 Ų123.169%0.68867%0.674SS**  trans-60.6124.3173.4-19.531.8000109.5F628 I632F628-P630 WeakPolarHBondContact O-CD 3.32Å; P630-I632 PolarHBondContact O-N 2.95Å; P630-I632 VanDerWaalsContact O-N 3.07Å
631Q31.6Very low30.7Very low193 Ų193129.6 Ų129.690%0.90269%0.685SS**  trans-68.3108.3174.9-67.5-172.26.800109.2V629 P633V629-Q631 PolarHBondContact O-N 2.93Å; Q631-P633 WeakPolarHBondContact O-CD 3.42Å
632I32Very low30.3Very low113 Ų113128.9 Ų128.958%0.57970%0.695SS**  trans-88.6113.8176.2-59176000108.2P630 G634 Y635P630-I632 PolarHBondContact O-N 2.95Å; P630-I632 VanDerWaalsContact O-N 3.07Å; I632-G634 PolarHBondContact O-N 3.39Å; I632-Y635 HydrophobicContact CG2-CD2 4.4Å; I632-Y635 PolarHBondContact O-N 3.42Å
633P27.2Very low30.3Very low130 Ų130129.8 Ų129.884%0.84472%0.715SS**THydrogen-bonded Turntrans-64.3126.6177.7-18.932.5000110.4Q631Q631-P633 WeakPolarHBondContact O-CD 3.42Å
634G32.9Very low30Very low83 Ų83136.3 Ų136.386%0.85673%0.728SS**THydrogen-bonded Turntrans106-9.7178.700000115.5I632I632-G634 PolarHBondContact O-N 3.39Å
635Y28.3Very low30.1Very low160 Ų160138.5 Ų138.563%0.62774%0.744SS**  trans-83114.6163.4-106-92.9000109.6I632 T637I632-Y635 HydrophobicContact CG2-CD2 4.4Å; I632-Y635 PolarHBondContact O-N 3.42Å; Y635-T637 PolarHBondContact O-N 3.49Å
636Q27.7Very low30.1Very low181 Ų181137.8 Ų137.885%0.84675%0.75SS**  trans-63.4123.2155.7-86.4-176.4-24.500107.6Y638Q636-Y638 PolarHBondContact O-N 2.93Å
637T28.9Very low30.3Very low133 Ų133138.3 Ų138.382%0.81674%0.74SS**  trans-61.2107.9170.244.60000108.6Y635Y635-T637 PolarHBondContact O-N 3.49Å
638Y24.8Very low30.5Very low192 Ų192134.5 Ų134.575%0.75373%0.729SS**  trans-51.9130.4165.6-77.7-84.8000108.4Q636 T640Q636-Y638 PolarHBondContact O-N 2.93Å; Y638-T640 PolarHBondContact O-N 2.88Å
639P26.6Very low30.6Very low105 Ų105129.1 Ų129.168%0.68271%0.712SS**  trans-54.8130.8171-22.432.7000108.5Y641P639-Y641 PolarHBondContact O-N 3.05Å
640T31.5Very low30.6Very low139 Ų139125.8 Ų125.885%0.85370%0.698SS**  trans-55.7106.316842.10000108Y638 A642Y638-T640 PolarHBondContact O-N 2.88Å; T640-A642 PolarHBondContact O-N 3.22Å
641Y27.5Very low30.9Very low210 Ų210126.9 Ų126.982%0.82469%0.692SS**  trans-52.1131.9177.9-89-86.7000109.5P639P639-Y641 PolarHBondContact O-N 3.05Å
642A27.3Very low31.1Very low82 Ų82119.4 Ų119.468%0.67866%0.664SS**  trans-54147.7-179.400000111.2T640 Y644T640-A642 PolarHBondContact O-N 3.22Å; A642-Y644 PolarHBondContact O-N 2.95Å
643A35.3Very low31.4Very low100 Ų100121.1 Ų121.183%0.82666%0.663SS**  trans-60.6107.5-172.500000112.5P645A643-P645 WeakPolarHBondContact O-CD 3.45Å
644Y25.8Very low31.8Very low198 Ų198121 Ų12178%0.77665%0.647SS**  trans-84.4112.9156.4-77.2-82.2000108.8A642 T646A642-Y644 PolarHBondContact O-N 2.95Å; Y644-T646 PolarHBondContact O-N 3.4Å
645P35.4Very low32Very low126 Ų126119.8 Ų119.882%0.81862%0.624SS**THydrogen-bonded Turntrans-82.877.5-173.134.1-35.5000110.8A643A643-P645 WeakPolarHBondContact O-CD 3.45Å
646T35.7Very low32.3Very low85 Ų85116.7 Ų116.752%0.52162%0.621SS.*THydrogen-bonded Turntrans-131.3-30.9175.2480000116.2Y644Y644-T646 PolarHBondContact O-N 3.4Å
647Y33.7Very low32.5Very low118 Ų118109.7 Ų109.746%0.46360%0.598SS.*  trans-146.9122.7-178.5-56.9-80.4000112.1W673 N674Y647-W673 WeakPolarHBondContact CD1-O 3.44Å; Y647-N674 HydrophobicContact CD1-CB 4.49Å; Y647-N674 HydrophobicContact CE1-CB 4.23Å
648P34.9Very low32.8Very low78 Ų78112 Ų11251%0.50659%0.592SS.*  trans-68.5137.3169.426.8-31.2000110.4W673P648-W673 HydrophobicContact CG-CB 3.85Å; P648-W673 PolarHBondContact O-N 3.01Å; P648-W673 VanDerWaalsContact O-N 3.15Å
649V32.7Very low33.3Very low77 Ų77104.8 Ų104.847%0.46757%0.566SS.*EExtended strand (participates in β ladder)trans-120.7128.7-177.6-168.90000109.4M670 I671 T672V649-M670 HydrophobicContact CG1-CG 3.4Å; V649-M670 HydrophobicContact CG1-SD 3.94Å; V649-I671 CarbonylContact C-O 3.43Å; V649-I671 WeakPolarHBondContact CA-O 3.49Å; V649-T672 HydrophobicContact CG1-CG2 4.19Å; V649-T672 HydrophobicContact CG2-CG2 4.15Å
650G33.4Very low33.3Very low33 Ų33104.2 Ų104.234%0.3458%0.579SS.*EExtended strand (participates in β ladder)trans-119.3164.7172.100000111.5I671G650-I671 PolarHBondContact N-O 3.45Å; G650-I671 PolarHBondContact O-N 3.41Å
651F35.8Very low33.2Very low128 Ų128104.9 Ų104.956%0.56157%0.573SS**EExtended strand (participates in β ladder)trans-122.5138.5176-63.9-86.9000110.3V669 M670F651-V669 WeakPolarHBondContact CA-O 3.27Å; F651-M670 HydrophobicContact CD1-CB 4.23Å; F651-M670 HydrophobicContact CD1-CG 4.34Å; F651-M670 HydrophobicContact CE1-CB 4.02Å; F651-M670 HydrophobicContact CE1-CE 3.83Å; F651-M670 HydrophobicContact CE1-CG 3.83Å; F651-M670 HydrophobicContact CZ-CE 4.12Å; F651-M670 HydrophobicContact CZ-CG 4.3Å
652A34.9Very low33.3Very low36 Ų3696.6 Ų96.630%0.29855%0.552SS.*EExtended strand (participates in β ladder)trans-133.2146.417500000111V669 I671A652-V669 PolarHBondContact N-O 3.08Å; A652-V669 PolarHBondContact O-N 3.3Å; A652-I671 HydrophobicContact CB-CD1 3.76Å
653W39.3Very low33.7Very low149 Ų14999.5 Ų99.556%0.56455%0.545SS*.EExtended strand (participates in β ladder)trans-97.2118.6179.6-6591000110.1P668W653-P668 HydrophobicContact CD2-CB 4.24Å; W653-P668 HydrophobicContact CE3-CB 3.92Å; W653-P668 HydrophobicContact CE3-CG 4.37Å; W653-P668 HydrophobicContact CH2-CB 3.92Å; W653-P668 HydrophobicContact CH2-CG 4.06Å; W653-P668 HydrophobicContact CZ2-CB 4.21Å; W653-P668 HydrophobicContact CZ3-CB 3.77Å; W653-P668 HydrophobicContact CZ3-CG 3.83Å
654Y36.2Very low33.7Very low128 Ų12897 Ų9750%0.50252%0.521SS..EExtended strand (participates in β ladder)trans-107.8128.5-174.5-140.5-88.4000111.2V656 Y666 V667Y654-V656 PolarHBondContact O-N 2.83Å; Y654-Y666 CarbonylContact O-C 3.59Å; Y654-Y666 VanDerWaalsContact O-CA 3.28Å; Y654-Y666 WeakPolarHBondContact O-CA 3.38Å; Y654-V667 PolarHBondContact N-O 3.47Å; Y654-V667 PolarHBondContact O-N 2.97Å
655P35.9Very low34Very low58 Ų5891.7 Ų91.738%0.37751%0.506SS..EExtended strand (participates in β ladder)trans-70.6127.3175.127-31.3000110.4L665 Y666P655-L665 CarbonylContact C-O 3.55Å; P655-L665 WeakPolarHBondContact CA-O 3.22Å; P655-Y666 HydrophobicContact CB-CD1 3.88Å; P655-Y666 HydrophobicContact CB-CE1 3.63Å; P655-Y666 HydrophobicContact CG-CE1 4.18Å
656V34.2Very low34.1Very low94 Ų9490.6 Ų90.657%0.5749%0.486SS*.EExtended strand (participates in β ladder)trans-112.3-6.1-177.5-63.50000113.9Y654 L665 V667Y654-V656 PolarHBondContact O-N 2.83Å; V656-L665 HydrophobicContact CG2-CB 4.01Å; V656-L665 PolarHBondContact N-O 2.97Å; V656-V667 HydrophobicContact CB-CG2 4.35Å; V656-V667 HydrophobicContact CG1-CB 3.99Å; V656-V667 HydrophobicContact CG1-CG2 3.69Å; V656-V667 HydrophobicContact CG2-CG2 3.74Å
657G33.4Very low34.1Very low35 Ų3589.9 Ų89.936%0.36148%0.481SS..EExtended strand (participates in β ladder)trans164.2-166.8177.700000112.6S664 L665G657-S664 WeakPolarHBondContact O-CA 3.41Å; G657-L665 PolarHBondContact O-N 3.17Å
658R35.1Very low34.2Very low181 Ų18187.6 Ų87.668%0.68348%0.481SS*.EExtended strand (participates in β ladder)trans-128.5147.1168.3-70.1179.9179-153.712109.8G662 R663R658-G662 WeakPolarHBondContact CD-O 3.48Å; R658-G662 PolarHBondContact NH1-O 3.29Å; R658-R663 CarbonylContact C-O 3.45Å; R658-R663 WeakPolarHBondContact CA-O 3.3Å
659D34.3Very low34.1Very low41 Ų4186.3 Ų86.322%0.21947%0.472CS..  trans-74.7174.8173.774.80.4000112.3Q661 G662 R663 L665D659-Q661 PolarHBondContact O-N 3.19Å; D659-Q661 VanDerWaalsContact OD1-C 3.28Å; D659-Q661 WeakPolarHBondContact OD1-CA 3.32Å; D659-Q661 WeakPolarHBondContact OD1-CB 3.11Å; D659-Q661 PolarHBondContact OD1-N 3.02Å; D659-G662 PolarHBondContact O-N 2.81Å; D659-G662 PolarHBondContact OD1-N 3.44Å; D659-R663 PolarHBondContact N-O 3.46Å; D659-R663 PolarHBondContact OD1-N 3.34Å; D659-R663 IonicContact OD1-NE 3.84Å; D659-R663 IonicContact OD2-CZ 3.52Å; D659-R663 IonicContact OD2-NE 2.72Å; D659-R663 PolarHBondContact OD2-NE 3.44Å; D659-R663 IonicContact OD2-NH2 3.88Å; D659-R663 PolarHBondContact OD2-NH2 2.86Å; D659-L665 HydrophobicContact CB-CD2 4.46Å
660G27Very low34.1Very low93 Ų9386 Ų8696%0.95947%0.466SS*.THydrogen-bonded Turntrans-64.90.1176.600000115.3
661Q28.6Very low34.1Very low152 Ų15288.4 Ų88.471%0.7147%0.47SS*.THydrogen-bonded Turntrans-111.46172.2-62.9-179.4-900111.9D659D659-Q661 PolarHBondContact O-N 3.19Å; D659-Q661 VanDerWaalsContact OD1-C 3.28Å; D659-Q661 WeakPolarHBondContact OD1-CA 3.32Å; D659-Q661 WeakPolarHBondContact OD1-CB 3.11Å; D659-Q661 PolarHBondContact OD1-N 3.02Å
662G31.1Very low33.9Very low37 Ų3785.9 Ų85.938%0.38147%0.466SS..SBendtrans83.29.1176.200000115.5R658 D659R658-G662 WeakPolarHBondContact CD-O 3.48Å; R658-G662 PolarHBondContact NH1-O 3.29Å; D659-G662 PolarHBondContact O-N 2.81Å; D659-G662 PolarHBondContact OD1-N 3.44Å
663R35Very low33.9Very low142 Ų14291.5 Ų91.554%0.53648%0.479SS..PPolyproline II helixtrans-85.7132.9-179.3-59.3178.8-64.2-171.4-0.2111R658 D659 L665R658-R663 CarbonylContact C-O 3.45Å; R658-R663 WeakPolarHBondContact CA-O 3.3Å; D659-R663 PolarHBondContact N-O 3.46Å; D659-R663 PolarHBondContact OD1-N 3.34Å; D659-R663 IonicContact OD1-NE 3.84Å; D659-R663 IonicContact OD2-CZ 3.52Å; D659-R663 IonicContact OD2-NE 2.72Å; D659-R663 PolarHBondContact OD2-NE 3.44Å; D659-R663 IonicContact OD2-NH2 3.88Å; D659-R663 PolarHBondContact OD2-NH2 2.86Å; R663-L665 PolarHBondContact O-N 2.85Å
664S34.8Very low33.5Very low48 Ų4888.6 Ų88.634%0.33648%0.475SS..EExtended strand (participates in β ladder)trans-67.3129.1-179.9-59.70000112.5G657 Y666G657-S664 WeakPolarHBondContact O-CA 3.41Å; S664-Y666 VanDerWaalsContact CB-CE2 3.48Å; S664-Y666 WeakPolarHBondContact O-CD2 3.42Å; S664-Y666 WeakPolarHBondContact O-CE2 3.22Å
665L32.3Very low33.4Very low86 Ų8685.3 Ų85.345%0.4547%0.469SS..EExtended strand (participates in β ladder)trans-93.5135.7174.5-61.7171.9000109.2P655 V656 G657 D659 R663P655-L665 CarbonylContact C-O 3.55Å; P655-L665 WeakPolarHBondContact CA-O 3.22Å; V656-L665 HydrophobicContact CG2-CB 4.01Å; V656-L665 PolarHBondContact N-O 2.97Å; G657-L665 PolarHBondContact O-N 3.17Å; D659-L665 HydrophobicContact CB-CD2 4.46Å; R663-L665 PolarHBondContact O-N 2.85Å
666Y37.8Very low33.1Very low104 Ų10489.7 Ų89.741%0.40848%0.484SS..EExtended strand (participates in β ladder)trans-127.2145.3-177.1-62.7-92.6000111.8Y654 P655 S664Y654-Y666 CarbonylContact O-C 3.59Å; Y654-Y666 VanDerWaalsContact O-CA 3.28Å; Y654-Y666 WeakPolarHBondContact O-CA 3.38Å; P655-Y666 HydrophobicContact CB-CD1 3.88Å; P655-Y666 HydrophobicContact CB-CE1 3.63Å; P655-Y666 HydrophobicContact CG-CE1 4.18Å; S664-Y666 VanDerWaalsContact CB-CE2 3.48Å; S664-Y666 WeakPolarHBondContact O-CD2 3.42Å; S664-Y666 WeakPolarHBondContact O-CE2 3.22Å
667V35.5Very low33Very low69 Ų6991.4 Ų91.442%0.41848%0.48SS..EExtended strand (participates in β ladder)trans-124.4137176.4176.50000109.2Y654 V656Y654-V667 PolarHBondContact N-O 3.47Å; Y654-V667 PolarHBondContact O-N 2.97Å; V656-V667 HydrophobicContact CB-CG2 4.35Å; V656-V667 HydrophobicContact CG1-CB 3.99Å; V656-V667 HydrophobicContact CG1-CG2 3.69Å; V656-V667 HydrophobicContact CG2-CG2 3.74Å
668P35.1Very low32.7Very low70 Ų7099.4 Ų99.446%0.45550%0.501SS..EExtended strand (participates in β ladder)trans-76131.2175.330.2-31.4000110.6W653W653-P668 HydrophobicContact CD2-CB 4.24Å; W653-P668 HydrophobicContact CE3-CB 3.92Å; W653-P668 HydrophobicContact CE3-CG 4.37Å; W653-P668 HydrophobicContact CH2-CB 3.92Å; W653-P668 HydrophobicContact CH2-CG 4.06Å; W653-P668 HydrophobicContact CZ2-CB 4.21Å; W653-P668 HydrophobicContact CZ3-CB 3.77Å; W653-P668 HydrophobicContact CZ3-CG 3.83Å
669V33.2Very low32.5Very low51 Ų51101.8 Ų101.831%0.30951%0.51SS..EExtended strand (participates in β ladder)trans-117.1130.1178.6-1770000109F651 A652F651-V669 WeakPolarHBondContact CA-O 3.27Å; A652-V669 PolarHBondContact N-O 3.08Å; A652-V669 PolarHBondContact O-N 3.3Å
670M33.8Very low32.2Very low72 Ų72108 Ų10836%0.35554%0.538SS..EExtended strand (participates in β ladder)trans-85.5127.9176.5-169.3-171.3-67.500109.7Y507 V649 F651Y507-M670 HydrophobicContact CD1-CB 4.36Å; Y507-M670 HydrophobicContact CE1-CB 4.01Å; Y507-M670 HydrophobicContact CE1-CE 3.84Å; Y507-M670 HydrophobicContact CE1-SD 4.38Å; V649-M670 HydrophobicContact CG1-CG 3.4Å; V649-M670 HydrophobicContact CG1-SD 3.94Å; F651-M670 HydrophobicContact CD1-CB 4.23Å; F651-M670 HydrophobicContact CD1-CG 4.34Å; F651-M670 HydrophobicContact CE1-CB 4.02Å; F651-M670 HydrophobicContact CE1-CE 3.83Å; F651-M670 HydrophobicContact CE1-CG 3.83Å; F651-M670 HydrophobicContact CZ-CE 4.12Å; F651-M670 HydrophobicContact CZ-CG 4.3Å
671I33.2Very low32.2Very low83 Ų83108.7 Ų108.743%0.42653%0.525SS..EExtended strand (participates in β ladder)trans-113.1120.2-178.5-57.8176.7000108.2V649 G650 A652V649-I671 CarbonylContact C-O 3.43Å; V649-I671 WeakPolarHBondContact CA-O 3.49Å; G650-I671 PolarHBondContact N-O 3.45Å; G650-I671 PolarHBondContact O-N 3.41Å; A652-I671 HydrophobicContact CB-CD1 3.76Å
672T32Very low32.2Very low75 Ų75107.2 Ų107.246%0.4653%0.529SS..EExtended strand (participates in β ladder)trans-109.7144.9175.758.40000110.9V649V649-T672 HydrophobicContact CG1-CG2 4.19Å; V649-T672 HydrophobicContact CG2-CG2 4.15Å
673W33.9Very low32.2Very low154 Ų154111 Ų11158%0.58355%0.545SS*.  trans-118.8114.4-176.6-116.952.8000111.8Y647 P648 P675 W677Y647-W673 WeakPolarHBondContact CD1-O 3.44Å; P648-W673 HydrophobicContact CG-CB 3.85Å; P648-W673 PolarHBondContact O-N 3.01Å; P648-W673 VanDerWaalsContact O-N 3.15Å; W673-P675 WeakPolarHBondContact O-CD 3.46Å; W673-W677 HydrophobicContact CD2-CH2 4.22Å; W673-W677 AromaticContact CD2-CZ2 3.83Å; W673-W677 HydrophobicContact CD2-CZ2 3.83Å; W673-W677 AromaticContact CE3-CH2 3.21Å; W673-W677 HydrophobicContact CE3-CH2 3.21Å; W673-W677 AromaticContact CE3-CZ2 3.27Å; W673-W677 HydrophobicContact CE3-CZ2 3.27Å; W673-W677 HydrophobicContact CE3-CZ3 4.32Å; W673-W677 HydrophobicContact CH2-CH2 4.02Å; W673-W677 HydrophobicContact CH2-CZ2 4.17Å; W673-W677 HydrophobicContact CH2-CZ3 4.48Å; W673-W677 AromaticContact CZ3-CH2 3.09Å; W673-W677 HydrophobicContact CZ3-CH2 3.09Å; W673-W677 AromaticContact CZ3-CZ2 3.48Å; W673-W677 HydrophobicContact CZ3-CZ2 3.48Å; W673-W677 VanDerWaalsContact CZ3-CZ2 3.48Å; W673-W677 AromaticContact CZ3-CZ3 3.79Å; W673-W677 HydrophobicContact CZ3-CZ3 3.79Å
674N31.3Very low31.9Very low88 Ų88108.4 Ų108.447%0.47155%0.546SS..  trans-85.2105.8-177.5175.7-2000112.5Y647 H676 W677Y647-N674 HydrophobicContact CD1-CB 4.49Å; Y647-N674 HydrophobicContact CE1-CB 4.23Å; N674-H676 PolarHBondContact O-N 3.46Å; N674-W677 WeakPolarHBondContact O-CZ2 3.29Å; N674-W677 PolarHBondContact O-NE1 3.21Å
675P32.9Very low31.6Very low58 Ų58115.3 Ų115.338%0.37757%0.573SS.*G310 helixtrans-71.86.2-164.829.9-36.1000117W673 W677W673-P675 WeakPolarHBondContact O-CD 3.46Å; P675-W677 PolarHBondContact O-N 2.59Å
676H31Very low31.5Very low150 Ų150120.7 Ų120.769%0.69459%0.588SS**G310 helixtrans-82.42.4-171.3-78.6-56000117.2N674 Y678N674-H676 PolarHBondContact O-N 3.46Å; H676-Y678 VanDerWaalsContact C-N 3.27Å; H676-Y678 PolarHBondContact O-N 2.87Å
677W30.8Very low31.4Very low130 Ų130120.9 Ų120.949%0.49260%0.603SS.*G310 helixtrans-73.6-5.9-178.910-100.1000115.7W673 N674 P675 R679W673-W677 HydrophobicContact CD2-CH2 4.22Å; W673-W677 AromaticContact CD2-CZ2 3.83Å; W673-W677 HydrophobicContact CD2-CZ2 3.83Å; W673-W677 AromaticContact CE3-CH2 3.21Å; W673-W677 HydrophobicContact CE3-CH2 3.21Å; W673-W677 AromaticContact CE3-CZ2 3.27Å; W673-W677 HydrophobicContact CE3-CZ2 3.27Å; W673-W677 HydrophobicContact CE3-CZ3 4.32Å; W673-W677 HydrophobicContact CH2-CH2 4.02Å; W673-W677 HydrophobicContact CH2-CZ2 4.17Å; W673-W677 HydrophobicContact CH2-CZ3 4.48Å; W673-W677 AromaticContact CZ3-CH2 3.09Å; W673-W677 HydrophobicContact CZ3-CH2 3.09Å; W673-W677 AromaticContact CZ3-CZ2 3.48Å; W673-W677 HydrophobicContact CZ3-CZ2 3.48Å; W673-W677 VanDerWaalsContact CZ3-CZ2 3.48Å; W673-W677 AromaticContact CZ3-CZ3 3.79Å; W673-W677 HydrophobicContact CZ3-CZ3 3.79Å; N674-W677 WeakPolarHBondContact O-CZ2 3.29Å; N674-W677 PolarHBondContact O-NE1 3.21Å; P675-W677 PolarHBondContact O-N 2.59Å; W677-R679 VanDerWaalsContact C-N 3.31Å; W677-R679 PolarHBondContact O-N 2.83Å
678Y28.5Very low31.6Very low203 Ų203123 Ų12380%0.79662%0.617SS**G310 helixtrans-78.60.5-178.1-87.6-63.2000116.4H676H676-Y678 VanDerWaalsContact C-N 3.27Å; H676-Y678 PolarHBondContact O-N 2.87Å
679R29.4Very low31.8Very low231 Ų231125.7 Ų125.787%0.87264%0.635SS**SBendtrans-90.2105.7162.9-71.5-165.2-174.8-148.93.1109.6W677W677-R679 VanDerWaalsContact C-N 3.31Å; W677-R679 PolarHBondContact O-N 2.83Å
680Q29.7Very low32.2Very low173 Ų173132 Ų13281%0.80866%0.661SS**PPolyproline II helixtrans-53.1134.3164-68.6-172.3-7.100109.2
681P26.3Very low33Very low106 Ų106133.9 Ų133.969%0.68868%0.679SS**PPolyproline II helixtrans-61.5146.6167.727.6-33.4000109V683P681-V683 PolarHBondContact O-N 3.37Å; P681-V683 VanDerWaalsContact O-N 3.14Å
682P28.4Very low34Very low121 Ų121135.4 Ų135.479%0.78669%0.694SS**PPolyproline II helixtrans-58.7122.8173.125.2-32.9000109.1P684P682-P684 WeakPolarHBondContact O-CD 3.32Å
683V30.8Very low35.1Very low118 Ų118137.4 Ų137.472%0.71571%0.708SS**PPolyproline II helixtrans-56.4122.5179178.70000108.8P681 Q685P681-V683 PolarHBondContact O-N 3.37Å; P681-V683 VanDerWaalsContact O-N 3.14Å; V683-Q685 PolarHBondContact O-N 3.3Å
684P28.4Very low36.3Very low87 Ų87135.5 Ų135.557%0.56572%0.716SS**  trans-63.2111.3173.9-20.332.4000109.4P682 Y686P682-P684 WeakPolarHBondContact O-CD 3.32Å; P684-Y686 VanDerWaalsContact C-N 3.25Å; P684-Y686 HydrophobicContact CB-CD2 4.14Å; P684-Y686 HydrophobicContact CB-CE2 3.8Å; P684-Y686 HydrophobicContact CG-CE2 4.44Å; P684-Y686 WeakPolarHBondContact O-CD2 3.27Å; P684-Y686 PolarHBondContact O-N 2.68Å
685Q29.1Very low37.7Very low192 Ų192136.8 Ų136.890%0.89773%0.729SS**  trans-71.488.5166-71.1-1723.100108.2V683V683-Q685 PolarHBondContact O-N 3.3Å
686Y30.3Very low39.1Very low199 Ų199139.6 Ų139.678%0.7875%0.747SS**PPolyproline II helixtrans-63135.4165.7-71.3-85.6000109P684P684-Y686 VanDerWaalsContact C-N 3.25Å; P684-Y686 HydrophobicContact CB-CD2 4.14Å; P684-Y686 HydrophobicContact CB-CE2 3.8Å; P684-Y686 HydrophobicContact CG-CE2 4.44Å; P684-Y686 WeakPolarHBondContact O-CD2 3.27Å; P684-Y686 PolarHBondContact O-N 2.68Å
687P35.8Very low40.6Very low109 Ų109137.9 Ų137.971%0.70875%0.75SS**PPolyproline II helixtrans-60147.7165.227.7-33.4000109.1
688P40Very low42.1Very low112 Ų112137.2 Ų137.273%0.72776%0.762SS**PPolyproline II helixtrans-59145.4-179.524.8-34000110.8Q690P688-Q690 PolarHBondContact O-N 3.18Å
689P38.1Very low43.8Very low128 Ų128133 Ų13383%0.83176%0.759SS**PPolyproline II helixtrans-59.6135.6-178.724.9-33.9000110.4
690Q42.5Very low45.5Very low182 Ų182127.4 Ų127.485%0.8575%0.753SS**PPolyproline II helixtrans-64.5144.5175.1-69.2-159.1-3.200110.5P688P688-Q690 PolarHBondContact O-N 3.18Å
691P50.9Low47.1Very low112 Ų112124.8 Ų124.873%0.72775%0.751SS**PPolyproline II helixtrans-60.7150.217626.6-34.6000110.6
692P53.7Low48.6Very low115 Ų115125.3 Ų125.375%0.74776%0.755SS**PPolyproline II helixtrans-59.8147.7179.226.1-34.7000111
693P54.8Low49.5Very low117 Ų117124.5 Ų124.576%0.7675%0.752SS**PPolyproline II helixtrans-60.2146.6177.926.2-34.3000110.7
694P60.1Low50.7Low114 Ų114130 Ų13074%0.7476%0.761SS**PPolyproline II helixtrans-60.9149177.826.8-34.5000110.7
695P60.3Low51.8Low116 Ų116130.7 Ų130.775%0.75377%0.768SS**PPolyproline II helixtrans-59.9148.4177.826.3-34.5000110.8
696P61.5Low52.6Low116 Ų116128.1 Ų128.175%0.75377%0.766SS**PPolyproline II helixtrans-60.4146.9179.226.1-34.4000110.8
697P63.3Low53.1Low115 Ų115130.3 Ų130.375%0.74779%0.79SS**PPolyproline II helixtrans-61.4148.9177.626.9-34.5000110.7
698P62.4Low53.9Low115 Ų115131.4 Ų131.475%0.74779%0.794SS**PPolyproline II helixtrans-60.4148.417726.7-34.5000110.7
699P64.1Low54.7Low115 Ų115132.4 Ų132.475%0.74780%0.797SS**PPolyproline II helixtrans-60.7147178.926.4-34.5000110.8
700P65.6Low55.6Low114 Ų114132.7 Ų132.774%0.7480%0.796SS**PPolyproline II helixtrans-61.3149.6175.727.4-34.6000110.5
701P63.2Low56.3Low118 Ų118129.8 Ų129.877%0.76679%0.792SS**PPolyproline II helixtrans-59.7147.1175.326.8-34.6000110.4S703P701-S703 PolarHBondContact O-N 3.28Å
702P56.7Low56.7Low117 Ų117130.9 Ų130.976%0.7680%0.796SS**PPolyproline II helixtrans-59.5133.9-177.624.7-33.9000110.8Y704P702-Y704 PolarHBondContact O-N 3.21Å
703S49.1Very low56.9Low103 Ų103131.9 Ų131.972%0.7280%0.8SS**PPolyproline II helixtrans-66.7131.5171.447.60000109.8P701 S705P701-S703 PolarHBondContact O-N 3.28Å; S703-S705 PolarHBondContact O-N 3.07Å
704Y54.7Low57Low233 Ų233133 Ų13391%0.91480%0.803SS**SBendtrans-69.565.7171.2-90.3-93.3000111.3P702P702-Y704 PolarHBondContact O-N 3.21Å
705S51.7Low56.8Low102 Ų102134.5 Ų134.571%0.71381%0.807SS**SBendtrans-149.231175.1-720000113.9S703S703-S705 PolarHBondContact O-N 3.07Å
706T45.6Very low56.5Low138 Ų138136 Ų13685%0.84781%0.812SS**  trans-171.1121140.927.60000107.5
707L40.1Very low56Low246 Ų246137.8 Ų137.8100%1.28882%0.817SS**  trans-67.40172.7-83.2154.6000111.7

Retrieved 707 of 707 residues in 320.6 ms (Link to these results)

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