A0A093H050_STRCA Loading...

Kinetochore protein SPC25

Acts as a component of the essential kinetochore-associated NDC80 complex, which is required for chromosome segregation and spindle checkpoint activity. Required for kinetochore integrity and the organization of stable microtubule binding sites in the outer plate of the kinetochore. The NDC80 complex synergistically enhances the affinity of the SKA1 complex for microtubules and may allow the NDC80 complex to track depolymerizing microtubules.

AlphaFold DB , UniProt , Accession A0A093H050, Species STRCA (Struthio camelus australis), Gene n/a, Length 231 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
1M43.9Very low58.2Low248 Ų248131.5 Ų131.5100%1.22269%0.691SS**  0106.30-71.1-176.3-173.300108.3
2S45.2Very low59.8Low113 Ų113127.3 Ų127.379%0.7967%0.669SS**  trans175.1-13.6159.5-168.70000113.1
3N48.6Very low61.2Low138 Ų138127.2 Ų127.274%0.73866%0.66SS**SBendtrans-101.515.9-167.5-142.423.7000115.8
4I53.4Low62.2Low151 Ų151127.4 Ų127.477%0.77466%0.656SS**SBendtrans-112.9-11.7-178.4-67168.3000111.8
5K56.6Low63.5Low171 Ų171128.5 Ų128.574%0.74365%0.648SS**Hα-helixtrans-84.9-22.9178.4-79.2-173.9172.3-1740113.9E9K5-E9 WeakPolarHBondContact O-CG 3.24Å
6T58.7Low64.6Low73 Ų73127.3 Ų127.345%0.44864%0.64SS.*Hα-helixtrans-84-28.8-174.228.50000114.4I10T6-I10 WeakPolarHBondContact O-CD1 3.41Å; T6-I10 VanDerWaalsContact O-CG1 3.28Å; T6-I10 WeakPolarHBondContact O-CG1 3.48Å; T6-I10 PolarHBondContact O-N 3.18Å
7E59.8Low65.6Low151 Ų151123.6 Ų123.671%0.70662%0.622SS**Hα-helixtrans-76.3-34.4177.6-94.8173.1160.300113I10 A11E7-I10 PolarHBondContact O-N 3.21Å; E7-A11 PolarHBondContact O-N 3.36Å; E7-A11 VanDerWaalsContact O-N 3.12Å
8D62.5Low66.4Low118 Ų118125.4 Ų125.463%0.63163%0.625SS**Hα-helixtrans-72.4-33.2-179.5-137.16.2000111.6L12D8-L12 WeakPolarHBondContact O-CB 3.43Å; D8-L12 PolarHBondContact O-N 3.24Å
9E68.1Low67.2Low131 Ų131124.5 Ų124.561%0.61262%0.619SS**Hα-helixtrans-67.1-36.7172.5-74.4176.7-175.700112.2K5 F13K5-E9 WeakPolarHBondContact O-CG 3.24Å; E9-F13 VanDerWaalsContact O-CB 3.28Å; E9-F13 WeakPolarHBondContact O-CB 3.45Å; E9-F13 PolarHBondContact O-N 3.49Å
10I70.8Confident67.9Low104 Ų104124.5 Ų124.553%0.53362%0.615SS.*Hα-helixtrans-69-43.5177.1-67.3166.7000110.8T6 E7 L12 F13 E14T6-I10 WeakPolarHBondContact O-CD1 3.41Å; T6-I10 VanDerWaalsContact O-CG1 3.28Å; T6-I10 WeakPolarHBondContact O-CG1 3.48Å; T6-I10 PolarHBondContact O-N 3.18Å; E7-I10 PolarHBondContact O-N 3.21Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 3.36Å; I10-F13 PolarHBondContact O-N 3.04Å; I10-E14 PolarHBondContact O-N 2.79Å
11A73.1Confident68.3Low49 Ų49126 Ų12641%0.40561%0.614SS.*Hα-helixtrans-67.7-33.2177.500000112.7E7 R15E7-A11 PolarHBondContact O-N 3.36Å; E7-A11 VanDerWaalsContact O-N 3.12Å; A11-R15 PolarHBondContact O-N 3.4Å
12L76.9Confident69.9Low81 Ų81118.8 Ų118.842%0.42458%0.584SS.*Hα-helixtrans-66.9-44.2172.4-156.8117.7000111D8 I10 R15 E16D8-L12 WeakPolarHBondContact O-CB 3.43Å; D8-L12 PolarHBondContact O-N 3.24Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 3.36Å; L12-R15 PolarHBondContact O-N 3.27Å; L12-E16 WeakPolarHBondContact O-CG 3.48Å; L12-E16 PolarHBondContact O-N 3.41Å
13F77.8Confident71.3Confident125 Ų125119.6 Ų119.655%0.54857%0.573SS.*Hα-helixtrans-63.6-41.8177.1-174-109.5000112.9E9 I10 R15 E16 I17E9-F13 VanDerWaalsContact O-CB 3.28Å; E9-F13 WeakPolarHBondContact O-CB 3.45Å; E9-F13 PolarHBondContact O-N 3.49Å; I10-F13 PolarHBondContact O-N 3.04Å; F13-R15 VanDerWaalsContact C-N 3.32Å; F13-R15 PolarHBondContact O-N 3.32Å; F13-E16 PolarHBondContact O-N 2.78Å; F13-I17 HydrophobicContact CD1-CD1 3.7Å; F13-I17 HydrophobicContact CD1-CG1 4.42Å; F13-I17 HydrophobicContact CE1-CD1 3.21Å; F13-I17 HydrophobicContact CE1-CG1 4.17Å; F13-I17 HydrophobicContact CE2-CD1 4.32Å; F13-I17 HydrophobicContact CG-CD1 4.44Å; F13-I17 HydrophobicContact CZ-CD1 3.57Å; F13-I17 HydrophobicContact CZ-CG1 4.23Å; F13-I17 WeakPolarHBondContact O-CB 3.19Å; F13-I17 WeakPolarHBondContact O-CG1 3.38Å; F13-I17 PolarHBondContact O-N 3.45Å
14E76.1Confident72.4Confident130 Ų130117 Ų11761%0.60756%0.556SS**Hα-helixtrans-63.2-37.7176.2-80.6-169.8156.800112.8I10 I17 K18I10-E14 PolarHBondContact O-N 2.79Å; E14-I17 PolarHBondContact O-N 3.15Å; E14-K18 WeakPolarHBondContact O-CB 3.44Å; E14-K18 PolarHBondContact O-N 3Å
15R81.1Confident73.3Confident144 Ų144117.4 Ų117.454%0.54355%0.552SS.*Hα-helixtrans-68.5-43.2175.8170.9172.133.7158.3-5.8111.5A11 L12 F13 I17 K18 E19A11-R15 PolarHBondContact O-N 3.4Å; L12-R15 PolarHBondContact O-N 3.27Å; F13-R15 VanDerWaalsContact C-N 3.32Å; F13-R15 PolarHBondContact O-N 3.32Å; R15-I17 VanDerWaalsContact C-N 3.32Å; R15-I17 PolarHBondContact O-N 2.96Å; R15-K18 PolarHBondContact O-N 2.85Å; R15-E19 PolarHBondContact O-N 3.44Å
16E81.8Confident73.8Confident110 Ų110113.1 Ų113.151%0.51454%0.543SS..Hα-helixtrans-62.1-40.2173.7-75.1-176.3172.700111.6L12 F13 E19 F20L12-E16 WeakPolarHBondContact O-CG 3.48Å; L12-E16 PolarHBondContact O-N 3.41Å; F13-E16 PolarHBondContact O-N 2.78Å; E16-E19 PolarHBondContact O-N 2.97Å; E16-F20 WeakPolarHBondContact O-CB 3.29Å; E16-F20 PolarHBondContact O-N 2.84Å
17I80.3Confident74.1Confident65 Ų65114 Ų11433%0.33354%0.544SS..Hα-helixtrans-62.1-43.9173-79.1-177.1000111F13 E14 R15 F20 W21F13-I17 HydrophobicContact CD1-CD1 3.7Å; F13-I17 HydrophobicContact CD1-CG1 4.42Å; F13-I17 HydrophobicContact CE1-CD1 3.21Å; F13-I17 HydrophobicContact CE1-CG1 4.17Å; F13-I17 HydrophobicContact CE2-CD1 4.32Å; F13-I17 HydrophobicContact CG-CD1 4.44Å; F13-I17 HydrophobicContact CZ-CD1 3.57Å; F13-I17 HydrophobicContact CZ-CG1 4.23Å; F13-I17 WeakPolarHBondContact O-CB 3.19Å; F13-I17 WeakPolarHBondContact O-CG1 3.38Å; F13-I17 PolarHBondContact O-N 3.45Å; E14-I17 PolarHBondContact O-N 3.15Å; R15-I17 VanDerWaalsContact C-N 3.32Å; R15-I17 PolarHBondContact O-N 2.96Å; I17-F20 PolarHBondContact O-N 3.02Å; I17-W21 WeakPolarHBondContact O-CB 3.44Å; I17-W21 PolarHBondContact O-N 3.48Å
18K81.4Confident74.1Confident155 Ų155113 Ų11367%0.67454%0.535SS*.Hα-helixtrans-64.9-43.9177.7-114179179.7172.90112E14 R15 F20 W21 T22E14-K18 WeakPolarHBondContact O-CB 3.44Å; E14-K18 PolarHBondContact O-N 3Å; R15-K18 PolarHBondContact O-N 2.85Å; K18-F20 VanDerWaalsContact C-N 3.34Å; K18-W21 PolarHBondContact O-N 2.98Å; K18-T22 WeakPolarHBondContact O-CB 3.25Å; K18-T22 PolarHBondContact O-N 2.83Å; K18-T22 PolarHBondContact O-OG1 2.87Å
19E80.9Confident74Confident109 Ų109109.3 Ų109.351%0.50953%0.525SS..Hα-helixtrans-64.2-41.2174.7-84.4-165.717300111.7R15 E16 T22 K23R15-E19 PolarHBondContact O-N 3.44Å; E16-E19 PolarHBondContact O-N 2.97Å; E19-T22 PolarHBondContact O-N 3.15Å; E19-K23 WeakPolarHBondContact O-CB 3.39Å; E19-K23 WeakPolarHBondContact O-CG 3.37Å; E19-K23 PolarHBondContact O-N 3.47Å
20F81.6Confident73.7Confident124 Ų124106.2 Ų106.254%0.54452%0.518SS..Hα-helixtrans-59.8-50174.4177.1-94.8000110.5E16 I17 K18 T22 K23 F24E16-F20 WeakPolarHBondContact O-CB 3.29Å; E16-F20 PolarHBondContact O-N 2.84Å; I17-F20 PolarHBondContact O-N 3.02Å; K18-F20 VanDerWaalsContact C-N 3.34Å; F20-T22 VanDerWaalsContact C-N 3.31Å; F20-T22 PolarHBondContact O-N 3.26Å; F20-K23 PolarHBondContact O-N 2.96Å; F20-F24 HydrophobicContact CE1-CB 4.39Å; F20-F24 HydrophobicContact CZ-CD2 4.29Å; F20-F24 WeakPolarHBondContact O-CA 3.33Å; F20-F24 WeakPolarHBondContact O-CB 3.43Å; F20-F24 PolarHBondContact O-N 2.82Å
21W76.8Confident73.5Confident155 Ų155107.2 Ų107.259%0.58752%0.52SS*.Hα-helixtrans-64-34.8177.5-83.1113000112.8I17 K18 F24 K25I17-W21 WeakPolarHBondContact O-CB 3.44Å; I17-W21 PolarHBondContact O-N 3.48Å; K18-W21 PolarHBondContact O-N 2.98Å; W21-F24 HydrophobicContact CE3-CD1 4.08Å; W21-F24 AromaticContact CZ3-CD1 3.95Å; W21-F24 HydrophobicContact CZ3-CD1 3.95Å; W21-F24 HydrophobicContact CZ3-CE1 4.22Å; W21-K25 WeakPolarHBondContact O-CB 3.36Å; W21-K25 PolarHBondContact O-N 3.35Å
22T77.2Confident73.3Confident98 Ų98108.7 Ų108.760%0.60152%0.519SS*.Hα-helixtrans-71.9-43.7178.1-51.10000111K18 E19 F20 S26K18-T22 WeakPolarHBondContact O-CB 3.25Å; K18-T22 PolarHBondContact O-N 2.83Å; K18-T22 PolarHBondContact O-OG1 2.87Å; E19-T22 PolarHBondContact O-N 3.15Å; F20-T22 VanDerWaalsContact C-N 3.31Å; F20-T22 PolarHBondContact O-N 3.26Å; T22-S26 VanDerWaalsContact O-CB 3.25Å; T22-S26 WeakPolarHBondContact O-CB 3.49Å; T22-S26 PolarHBondContact O-N 2.97Å
23K75.1Confident73.1Confident129 Ų129109 Ų10956%0.56152%0.52SS*.Hα-helixtrans-64.5-45.2172.8-78.6175.3178.51640111.2E19 F20 K25 S26 I27E19-K23 WeakPolarHBondContact O-CB 3.39Å; E19-K23 WeakPolarHBondContact O-CG 3.37Å; E19-K23 PolarHBondContact O-N 3.47Å; F20-K23 PolarHBondContact O-N 2.96Å; K23-K25 PolarHBondContact O-N 3.36Å; K23-S26 PolarHBondContact O-N 3.4Å; K23-I27 HydrophobicContact CB-CD1 4.41Å; K23-I27 VanDerWaalsContact O-CB 3.29Å; K23-I27 WeakPolarHBondContact O-CB 3.48Å; K23-I27 WeakPolarHBondContact O-CD1 3.45Å; K23-I27 WeakPolarHBondContact O-CG1 3.5Å; K23-I27 PolarHBondContact O-N 2.63Å
24F71.6Confident73Confident84 Ų84107.6 Ų107.637%0.36852%0.518SS..Hα-helixtrans-61.2-46177.3-174.6-97.4000110.8F20 W21 S26 I27 Y28F20-F24 HydrophobicContact CE1-CB 4.39Å; F20-F24 HydrophobicContact CZ-CD2 4.29Å; F20-F24 WeakPolarHBondContact O-CA 3.33Å; F20-F24 WeakPolarHBondContact O-CB 3.43Å; F20-F24 PolarHBondContact O-N 2.82Å; W21-F24 HydrophobicContact CE3-CD1 4.08Å; W21-F24 AromaticContact CZ3-CD1 3.95Å; W21-F24 HydrophobicContact CZ3-CD1 3.95Å; W21-F24 HydrophobicContact CZ3-CE1 4.22Å; F24-S26 VanDerWaalsContact C-N 3.35Å; F24-S26 PolarHBondContact O-N 3Å; F24-I27 PolarHBondContact O-N 3.48Å; F24-Y28 AromaticContact CD2-CD2 3.86Å; F24-Y28 HydrophobicContact CD2-CD2 3.86Å; F24-Y28 HydrophobicContact CD2-CE2 4.33Å; F24-Y28 AromaticContact CE2-CD2 3.7Å; F24-Y28 HydrophobicContact CE2-CD2 3.7Å; F24-Y28 HydrophobicContact CE2-CE2 4Å; F24-Y28 HydrophobicContact CE2-CG 4.24Å; F24-Y28 HydrophobicContact CZ-CD2 4.25Å; F24-Y28 HydrophobicContact CZ-CG 4.34Å; F24-Y28 VanDerWaalsContact O-CB 3.28Å; F24-Y28 WeakPolarHBondContact O-CB 3.39Å; F24-Y28 PolarHBondContact O-N 2.77Å
25K70.5Confident73.1Confident159 Ų159106.6 Ų106.669%0.69151%0.514SS*.Hα-helixtrans-70.5-28177.8-164.3172.8-173.41780113.1W21 K23 G29W21-K25 WeakPolarHBondContact O-CB 3.36Å; W21-K25 PolarHBondContact O-N 3.35Å; K23-K25 PolarHBondContact O-N 3.36Å; K25-G29 WeakPolarHBondContact O-CA 3.49Å; K25-G29 PolarHBondContact O-N 3.12Å
26S68.3Low73Confident81 Ų81103.9 Ų103.957%0.56651%0.513SS*.Hα-helixtrans-73-48172.1178.80000111.6T22 K23 F24T22-S26 VanDerWaalsContact O-CB 3.25Å; T22-S26 WeakPolarHBondContact O-CB 3.49Å; T22-S26 PolarHBondContact O-N 2.97Å; K23-S26 PolarHBondContact O-N 3.4Å; F24-S26 VanDerWaalsContact C-N 3.35Å; F24-S26 PolarHBondContact O-N 3Å
27I64.3Low73Confident91 Ų91101.4 Ų101.447%0.46750%0.503SS..Iπ-helixtrans-69.5-41.8-178.2-66.2165.5000111.4K23 F24 Q32K23-I27 HydrophobicContact CB-CD1 4.41Å; K23-I27 VanDerWaalsContact O-CB 3.29Å; K23-I27 WeakPolarHBondContact O-CB 3.48Å; K23-I27 WeakPolarHBondContact O-CD1 3.45Å; K23-I27 WeakPolarHBondContact O-CG1 3.5Å; K23-I27 PolarHBondContact O-N 2.63Å; F24-I27 PolarHBondContact O-N 3.48Å; I27-Q32 VanDerWaalsContact O-CD 3.26Å; I27-Q32 VanDerWaalsContact O-CG 3.3Å; I27-Q32 WeakPolarHBondContact O-CG 3.49Å
28Y60.1Low73.1Confident130 Ų130101.1 Ų101.151%0.5151%0.51SS..Iπ-helixtrans-104.4-14.9-175.6-81.6-88.5000115F24 I33F24-Y28 AromaticContact CD2-CD2 3.86Å; F24-Y28 HydrophobicContact CD2-CD2 3.86Å; F24-Y28 HydrophobicContact CD2-CE2 4.33Å; F24-Y28 AromaticContact CE2-CD2 3.7Å; F24-Y28 HydrophobicContact CE2-CD2 3.7Å; F24-Y28 HydrophobicContact CE2-CE2 4Å; F24-Y28 HydrophobicContact CE2-CG 4.24Å; F24-Y28 HydrophobicContact CZ-CD2 4.25Å; F24-Y28 HydrophobicContact CZ-CG 4.34Å; F24-Y28 VanDerWaalsContact O-CB 3.28Å; F24-Y28 WeakPolarHBondContact O-CB 3.39Å; F24-Y28 PolarHBondContact O-N 2.77Å; Y28-I33 VanDerWaalsContact O-CD1 3.27Å; Y28-I33 WeakPolarHBondContact O-CD1 3.36Å
29G60.1Low73.2Confident41 Ų4199.6 Ų99.642%0.42351%0.509SS..Iπ-helixtrans-89.5-14.5-16300000117K25K25-G29 WeakPolarHBondContact O-CA 3.49Å; K25-G29 PolarHBondContact O-N 3.12Å
30S62.6Low73.5Confident67 Ų67100.9 Ų100.947%0.46951%0.509SS..Iπ-helixtrans-153.7-44.117664.80000114.6I33 N34S30-I33 PolarHBondContact O-N 3.15Å; S30-N34 VanDerWaalsContact O-CB 3.27Å; S30-N34 WeakPolarHBondContact O-CB 3.46Å; S30-N34 PolarHBondContact O-N 3.06Å; S30-N34 PolarHBondContact O-ND2 3.15Å
31E65.2Low73.8Confident125 Ų12598.7 Ų98.758%0.58450%0.503SS*.Iπ-helixtrans-74.6-46.2-170.4-168.6155.9-165.100113.2I33 N34 Q35E31-I33 VanDerWaalsContact C-N 3.29Å; E31-I33 PolarHBondContact O-N 3.41Å; E31-N34 PolarHBondContact O-N 3.08Å; E31-Q35 WeakPolarHBondContact O-CB 3.29Å; E31-Q35 WeakPolarHBondContact O-CG 3.42Å; E31-Q35 PolarHBondContact O-N 3.33Å
32Q70.7Confident74.4Confident79 Ų7994.6 Ų94.637%0.36950%0.498SS..Hα-helixtrans-63-36.3171.8-78.7-175.11.800112.4I27 T36I27-Q32 VanDerWaalsContact O-CD 3.26Å; I27-Q32 VanDerWaalsContact O-CG 3.3Å; I27-Q32 WeakPolarHBondContact O-CG 3.49Å; Q32-T36 WeakPolarHBondContact O-CB 3.14Å; Q32-T36 PolarHBondContact O-N 3.18Å; Q32-T36 PolarHBondContact O-OG1 3.41Å
33I71.3Confident74.9Confident87 Ų8793.2 Ų93.245%0.44649%0.492SS..Hα-helixtrans-66.5-43.3177.9-65.8174.4000110.1Y28 S30 E31 T36 L37Y28-I33 VanDerWaalsContact O-CD1 3.27Å; Y28-I33 WeakPolarHBondContact O-CD1 3.36Å; S30-I33 PolarHBondContact O-N 3.15Å; E31-I33 VanDerWaalsContact C-N 3.29Å; E31-I33 PolarHBondContact O-N 3.41Å; I33-T36 PolarHBondContact O-N 2.81Å; I33-L37 HydrophobicContact CG2-CD1 3.89Å; I33-L37 WeakPolarHBondContact O-CB 3.48Å; I33-L37 WeakPolarHBondContact O-CD1 3.43Å; I33-L37 WeakPolarHBondContact O-CG 3.28Å; I33-L37 PolarHBondContact O-N 3.43Å
34N75.9Confident75.7Confident96 Ų9693.8 Ų93.851%0.51349%0.494SS..Hα-helixtrans-67.2-40.6176.7-72.8-21.8000112.4S30 E31 L37 A38S30-N34 VanDerWaalsContact O-CB 3.27Å; S30-N34 WeakPolarHBondContact O-CB 3.46Å; S30-N34 PolarHBondContact O-N 3.06Å; S30-N34 PolarHBondContact O-ND2 3.15Å; E31-N34 PolarHBondContact O-N 3.08Å; N34-L37 WeakPolarHBondContact O-CB 3.3Å; N34-L37 PolarHBondContact O-N 3.04Å; N34-A38 WeakPolarHBondContact O-CB 3.49Å; N34-A38 PolarHBondContact O-N 3.3Å
35Q78.7Confident76.7Confident110 Ų11094.7 Ų94.751%0.51450%0.503SS..Hα-helixtrans-63.5-42.1173.4-72.51741000111.6E31 A38 L39E31-Q35 WeakPolarHBondContact O-CB 3.29Å; E31-Q35 WeakPolarHBondContact O-CG 3.42Å; E31-Q35 PolarHBondContact O-N 3.33Å; Q35-A38 PolarHBondContact O-N 2.77Å; Q35-L39 WeakPolarHBondContact O-CB 3.3Å; Q35-L39 WeakPolarHBondContact O-CG 3.28Å; Q35-L39 PolarHBondContact O-N 2.93Å
36T78.9Confident77.7Confident86 Ų8690.5 Ų90.553%0.52849%0.494SS..Hα-helixtrans-66.5-38.2176.1-55.30000111.7Q32 I33 R40Q32-T36 WeakPolarHBondContact O-CB 3.14Å; Q32-T36 PolarHBondContact O-N 3.18Å; Q32-T36 PolarHBondContact O-OG1 3.41Å; I33-T36 PolarHBondContact O-N 2.81Å; T36-R40 VanDerWaalsContact O-CB 3.29Å; T36-R40 WeakPolarHBondContact O-CB 3.3Å; T36-R40 PolarHBondContact O-N 2.9Å
37L81.8Confident78.8Confident58 Ų5891.7 Ų91.730%0.30449%0.493SS..Hα-helixtrans-60.7-50.8170.9-82158.9000111.5I33 N34 L39 R40 D41I33-L37 HydrophobicContact CG2-CD1 3.89Å; I33-L37 WeakPolarHBondContact O-CB 3.48Å; I33-L37 WeakPolarHBondContact O-CD1 3.43Å; I33-L37 WeakPolarHBondContact O-CG 3.28Å; I33-L37 PolarHBondContact O-N 3.43Å; N34-L37 WeakPolarHBondContact O-CB 3.3Å; N34-L37 PolarHBondContact O-N 3.04Å; L37-L39 PolarHBondContact O-N 3.38Å; L37-R40 VanDerWaalsContact CD2-CZ 3.41Å; L37-R40 WeakPolarHBondContact O-CB 3.42Å; L37-R40 PolarHBondContact O-N 2.89Å; L37-D41 PolarHBondContact O-N 3.43Å
38A82.3Confident80.2Confident59 Ų5993.2 Ų93.249%0.48850%0.496SS..Hα-helixtrans-62.7-41.1-18000000113N34 Q35 D41 S42N34-A38 WeakPolarHBondContact O-CB 3.49Å; N34-A38 PolarHBondContact O-N 3.3Å; Q35-A38 PolarHBondContact O-N 2.77Å; A38-D41 PolarHBondContact O-N 3.35Å; A38-S42 VanDerWaalsContact O-CB 3.27Å; A38-S42 WeakPolarHBondContact O-CB 3.44Å; A38-S42 PolarHBondContact O-N 2.86Å
39L83.4Confident81.8Confident124 Ų12489.7 Ų89.765%0.64949%0.494SS*.Hα-helixtrans-65.5-39.9174.5-74.1172.6000111.9Q35 L37 C43Q35-L39 WeakPolarHBondContact O-CB 3.3Å; Q35-L39 WeakPolarHBondContact O-CG 3.28Å; Q35-L39 PolarHBondContact O-N 2.93Å; L37-L39 PolarHBondContact O-N 3.38Å; L39-C43 WeakPolarHBondContact O-CB 3.42Å; L39-C43 PolarHBondContact O-N 3Å
40R86.3Confident83.4Confident136 Ų13692.2 Ų92.251%0.51350%0.497SS..Hα-helixtrans-63-45.7173.6162.5-179.141.4-164.9-29.9111.4T36 L37 C43 K44T36-R40 VanDerWaalsContact O-CB 3.29Å; T36-R40 WeakPolarHBondContact O-CB 3.3Å; T36-R40 PolarHBondContact O-N 2.9Å; L37-R40 VanDerWaalsContact CD2-CZ 3.41Å; L37-R40 WeakPolarHBondContact O-CB 3.42Å; L37-R40 PolarHBondContact O-N 2.89Å; R40-C43 PolarHBondContact O-N 3.36Å; R40-K44 VanDerWaalsContact O-CB 3.3Å; R40-K44 WeakPolarHBondContact O-CB 3.23Å; R40-K44 PolarHBondContact O-N 3.3Å
41D88.6Confident84.9Confident78 Ų7892.6 Ų92.642%0.41750%0.5SS..Hα-helixtrans-65.8-43.2-179.8-69.3-23.5000110.4L37 A38 C43 K44 D45L37-D41 PolarHBondContact O-N 3.43Å; A38-D41 PolarHBondContact O-N 3.35Å; D41-C43 PolarHBondContact O-N 2.78Å; D41-K44 WeakPolarHBondContact O-CB 3.4Å; D41-K44 PolarHBondContact O-N 2.82Å; D41-D45 WeakPolarHBondContact O-CB 3.43Å; D41-D45 PolarHBondContact O-N 3.42Å
42S89.4Confident86.3Confident68 Ų6892.2 Ų92.248%0.47650%0.498SS..Hα-helixtrans-60.8-40.9173-178.80000113A38 S46A38-S42 VanDerWaalsContact O-CB 3.27Å; A38-S42 WeakPolarHBondContact O-CB 3.44Å; A38-S42 PolarHBondContact O-N 2.86Å; S42-S46 WeakPolarHBondContact O-CB 3.42Å; S42-S46 PolarHBondContact O-N 2.97Å; S42-S46 PolarHBondContact O-OG 3.03Å
43C87.9Confident87.5Confident70 Ų7095 Ų9547%0.47351%0.509SS..Hα-helixtrans-65.3-43.8174.8-176.20000111.2L39 R40 D41 D45 S46 I47L39-C43 WeakPolarHBondContact O-CB 3.42Å; L39-C43 PolarHBondContact O-N 3Å; R40-C43 PolarHBondContact O-N 3.36Å; D41-C43 PolarHBondContact O-N 2.78Å; C43-D45 PolarHBondContact O-N 3.13Å; C43-S46 PolarHBondContact O-N 3.37Å; C43-I47 VanDerWaalsContact O-CG1 3.29Å; C43-I47 WeakPolarHBondContact O-CG1 3.22Å; C43-I47 PolarHBondContact O-N 3.3Å
44K92.6Very high88.5Confident140 Ų14098.9 Ų98.961%0.60952%0.518SS*.Hα-helixtrans-61.1-44176.6-176.4-176.4178.3-173.90111.7R40 D41 I47 K48R40-K44 VanDerWaalsContact O-CB 3.3Å; R40-K44 WeakPolarHBondContact O-CB 3.23Å; R40-K44 PolarHBondContact O-N 3.3Å; D41-K44 WeakPolarHBondContact O-CB 3.4Å; D41-K44 PolarHBondContact O-N 2.82Å; K44-I47 PolarHBondContact O-N 2.95Å; K44-K48 WeakPolarHBondContact O-CB 3.06Å; K44-K48 PolarHBondContact O-N 3.01Å
45D92.3Very high89.4Confident103 Ų10396.9 Ų96.955%0.55151%0.512SS*.Hα-helixtrans-66.1-39.5176.7-71.5-20.1000111.6D41 C43 K48 A49D41-D45 WeakPolarHBondContact O-CB 3.43Å; D41-D45 PolarHBondContact O-N 3.42Å; C43-D45 PolarHBondContact O-N 3.13Å; D45-K48 PolarHBondContact O-N 3.06Å; D45-A49 WeakPolarHBondContact O-CB 3.17Å; D45-A49 PolarHBondContact O-N 3.29Å
46S90.8Very high90.2Very high72 Ų7298 Ų9850%0.50352%0.515SS..Hα-helixtrans-64-43.5175.2-60.70000112.2S42 C43 K48 A49 L50S42-S46 WeakPolarHBondContact O-CB 3.42Å; S42-S46 PolarHBondContact O-N 2.97Å; S42-S46 PolarHBondContact O-OG 3.03Å; C43-S46 PolarHBondContact O-N 3.37Å; S46-K48 VanDerWaalsContact C-N 3.34Å; S46-A49 PolarHBondContact O-N 3.4Å; S46-L50 VanDerWaalsContact O-CB 3.31Å; S46-L50 WeakPolarHBondContact O-CB 3.39Å; S46-L50 PolarHBondContact O-N 3.45Å
47I91.6Very high91Very high105 Ų10599.5 Ų99.554%0.53851%0.514SS..Hα-helixtrans-63.1-42.8175.2-70.4166.7000110.3C43 K44 L50 S51C43-I47 VanDerWaalsContact O-CG1 3.29Å; C43-I47 WeakPolarHBondContact O-CG1 3.22Å; C43-I47 PolarHBondContact O-N 3.3Å; K44-I47 PolarHBondContact O-N 2.95Å; I47-L50 PolarHBondContact O-N 3.05Å; I47-S51 WeakPolarHBondContact O-CB 3.37Å; I47-S51 PolarHBondContact O-N 3.36Å
48K94.6Very high91.6Very high123 Ų123101.5 Ų101.554%0.53552%0.524SS..Hα-helixtrans-62.8-48.5177.7-172.6-178.4175.1-169.50111.5K44 D45 S46 L50 S51 E52K44-K48 WeakPolarHBondContact O-CB 3.06Å; K44-K48 PolarHBondContact O-N 3.01Å; D45-K48 PolarHBondContact O-N 3.06Å; S46-K48 VanDerWaalsContact C-N 3.34Å; K48-L50 VanDerWaalsContact C-N 3.31Å; K48-L50 PolarHBondContact O-N 2.81Å; K48-S51 WeakPolarHBondContact O-CB 3.32Å; K48-S51 PolarHBondContact O-N 2.81Å; K48-E52 WeakPolarHBondContact CE-OE1 3.42Å; K48-E52 WeakPolarHBondContact O-CG 3.33Å; K48-E52 PolarHBondContact O-N 2.89Å
49A93.6Very high92.2Very high57 Ų57105.3 Ų105.347%0.47153%0.53SS..Hα-helixtrans-61.4-39.4177.400000112.2D45 S46 K53D45-A49 WeakPolarHBondContact O-CB 3.17Å; D45-A49 PolarHBondContact O-N 3.29Å; S46-A49 PolarHBondContact O-N 3.4Å; A49-K53 WeakPolarHBondContact O-CB 3.36Å; A49-K53 PolarHBondContact O-N 3.02Å
50L92.9Very high92.8Very high93 Ų93104.3 Ų104.349%0.48752%0.522SS..Hα-helixtrans-66.2-43.5175.7-17262.1000111.2S46 I47 K48 K53 W54S46-L50 VanDerWaalsContact O-CB 3.31Å; S46-L50 WeakPolarHBondContact O-CB 3.39Å; S46-L50 PolarHBondContact O-N 3.45Å; I47-L50 PolarHBondContact O-N 3.05Å; K48-L50 VanDerWaalsContact C-N 3.31Å; K48-L50 PolarHBondContact O-N 2.81Å; L50-K53 PolarHBondContact O-N 2.68Å; L50-W54 PolarHBondContact O-N 2.94Å
51S93.9Very high93.2Very high76 Ų76103.5 Ų103.553%0.53152%0.524SS..Hα-helixtrans-60.7-45175.9-179.20000112I47 K48 K53 W54 S55I47-S51 WeakPolarHBondContact O-CB 3.37Å; I47-S51 PolarHBondContact O-N 3.36Å; K48-S51 WeakPolarHBondContact O-CB 3.32Å; K48-S51 PolarHBondContact O-N 2.81Å; S51-K53 PolarHBondContact O-N 3.34Å; S51-W54 PolarHBondContact O-N 3.44Å; S51-S55 WeakPolarHBondContact O-CB 3.44Å; S51-S55 PolarHBondContact O-N 3.11Å
52E94.8Very high93.5Very high116 Ų116103.5 Ų103.554%0.54252%0.524SS..Hα-helixtrans-62.3-42.7175.7-73172.3-174.700111.7K48 S55 K56K48-E52 WeakPolarHBondContact CE-OE1 3.42Å; K48-E52 WeakPolarHBondContact O-CG 3.33Å; K48-E52 PolarHBondContact O-N 2.89Å; E52-S55 PolarHBondContact O-N 2.94Å; E52-K56 PolarHBondContact O-N 3.38Å
53K95.6Very high93.9Very high138 Ų138105 Ų10560%0.653%0.526SS*.Hα-helixtrans-62.6-43.9176.5-174.3178.8-179.8179.90112.2A49 L50 S51 K56 K57A49-K53 WeakPolarHBondContact O-CB 3.36Å; A49-K53 PolarHBondContact O-N 3.02Å; L50-K53 PolarHBondContact O-N 2.68Å; S51-K53 PolarHBondContact O-N 3.34Å; K53-K56 PolarHBondContact O-N 2.87Å; K53-K57 PolarHBondContact O-N 3.31Å
54W93.3Very high94.3Very high168 Ų168107.7 Ų107.764%0.63653%0.533SS*.Hα-helixtrans-66.8-40.3176-77.7115.9000112.1L50 S51 K56 K57 L58L50-W54 PolarHBondContact O-N 2.94Å; S51-W54 PolarHBondContact O-N 3.44Å; W54-K56 VanDerWaalsContact C-N 3.31Å; W54-K56 PolarHBondContact O-N 3.24Å; W54-K57 PolarHBondContact O-N 3.33Å; W54-L58 WeakPolarHBondContact O-CB 3.4Å; W54-L58 PolarHBondContact O-N 2.72Å
55S94.4Very high94.5Very high54 Ų54104.5 Ų104.538%0.37852%0.522SS..Hα-helixtrans-61.6-40.6174.9-175.70000111.8S51 E52 L58 K59S51-S55 WeakPolarHBondContact O-CB 3.44Å; S51-S55 PolarHBondContact O-N 3.11Å; E52-S55 PolarHBondContact O-N 2.94Å; S55-L58 PolarHBondContact O-N 3.47Å; S55-K59 WeakPolarHBondContact O-CG 3.46Å; S55-K59 PolarHBondContact O-N 3.15Å; S55-K59 VanDerWaalsContact O-N 3.16Å
56K95.6Very high94.7Very high135 Ų135104 Ų10459%0.58752%0.52SS*.Hα-helixtrans-63.8-46.5174.9-168-173.2-179-159.50111.7E52 K53 W54 L58 K59 E60E52-K56 PolarHBondContact O-N 3.38Å; K53-K56 PolarHBondContact O-N 2.87Å; W54-K56 VanDerWaalsContact C-N 3.31Å; W54-K56 PolarHBondContact O-N 3.24Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-L58 PolarHBondContact O-N 2.82Å; K56-K59 PolarHBondContact O-N 3.02Å; K56-E60 WeakPolarHBondContact CE-OE1 3.47Å; K56-E60 IonicContact NZ-OE1 3.56Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 2.89Å
57K94.7Very high95Very high117 Ų117105.4 Ų105.451%0.50952%0.517SS..Hα-helixtrans-60.6-42177.4-82.6-144.8170.5-161.20112.8K53 W54 K59 E60 E61K53-K57 PolarHBondContact O-N 3.31Å; W54-K57 PolarHBondContact O-N 3.33Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K57-K59 PolarHBondContact O-N 3.47Å; K57-E60 PolarHBondContact O-N 2.83Å; K57-E61 WeakPolarHBondContact O-CB 3.4Å; K57-E61 PolarHBondContact O-N 2.79Å
58L94.9Very high95.2Very high99 Ų99105.2 Ų105.252%0.51852%0.516SS..Hα-helixtrans-60.2-44.7177.4-173.965.4000111W54 S55 K56 E60 E61 D62W54-L58 WeakPolarHBondContact O-CB 3.4Å; W54-L58 PolarHBondContact O-N 2.72Å; S55-L58 PolarHBondContact O-N 3.47Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-L58 PolarHBondContact O-N 2.82Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 3.31Å; L58-E61 PolarHBondContact O-N 2.75Å; L58-D62 VanDerWaalsContact O-CG 3.31Å; L58-D62 PolarHBondContact O-N 2.92Å
59K95.1Very high95.3Very high140 Ų140104.7 Ų104.761%0.60952%0.515SS*.Hα-helixtrans-64-36.7175.7-69.4176.4-178.1-177.10113.4S55 K56 K57 E61 L63S55-K59 WeakPolarHBondContact O-CG 3.46Å; S55-K59 PolarHBondContact O-N 3.15Å; S55-K59 VanDerWaalsContact O-N 3.16Å; K56-K59 PolarHBondContact O-N 3.02Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K57-K59 PolarHBondContact O-N 3.47Å; K59-E61 VanDerWaalsContact C-N 3.34Å; K59-L63 WeakPolarHBondContact O-CB 3.34Å; K59-L63 PolarHBondContact O-N 3.49Å; K59-L63 VanDerWaalsContact O-N 3.09Å
60E95.7Very high95.5Very high102 Ų102107.2 Ų107.248%0.47752%0.517SS..Hα-helixtrans-66.8-37.9175.3-73.2170.5-176.100111.4K56 K57 L58 M64K56-E60 WeakPolarHBondContact CE-OE1 3.47Å; K56-E60 IonicContact NZ-OE1 3.56Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 2.89Å; K57-E60 PolarHBondContact O-N 2.83Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 3.31Å; E60-M64 WeakPolarHBondContact O-CB 2.79Å; E60-M64 PolarHBondContact O-N 2.91Å; E60-M64 VanDerWaalsContact O-N 3.08Å
61E95.4Very high95.6Very high120 Ų120109.1 Ų109.156%0.56152%0.519SS*.Hα-helixtrans-68.3-46.4175.9-171.5171.5-173.600111.7K57 L58 K59 L63 M64 I65K57-E61 WeakPolarHBondContact O-CB 3.4Å; K57-E61 PolarHBondContact O-N 2.79Å; L58-E61 PolarHBondContact O-N 2.75Å; K59-E61 VanDerWaalsContact C-N 3.34Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 3.47Å; E61-M64 WeakPolarHBondContact O-CA 3.17Å; E61-M64 WeakPolarHBondContact O-CB 3.33Å; E61-M64 PolarHBondContact O-N 3.02Å; E61-I65 HydrophobicContact CG-CD1 4.29Å; E61-I65 WeakPolarHBondContact O-CG1 3.38Å; E61-I65 PolarHBondContact O-N 3.12Å
62D95.5Very high95.8Very high78 Ų78108.3 Ų108.342%0.41751%0.513SS..Hα-helixtrans-56-46.9174.3-68.9-29.2000111L58 M64 I65 D66L58-D62 VanDerWaalsContact O-CG 3.31Å; L58-D62 PolarHBondContact O-N 2.92Å; D62-M64 VanDerWaalsContact C-N 3.25Å; D62-M64 PolarHBondContact O-N 3.46Å; D62-I65 PolarHBondContact O-N 2.86Å; D62-D66 PolarHBondContact O-N 3.04Å
63L96.6Very high95.9Very high99 Ų99107.8 Ų107.852%0.51851%0.514SS..Hα-helixtrans-60.9-34.5176.1-176.969.5000112.6K59 E61 K67K59-L63 WeakPolarHBondContact O-CB 3.34Å; K59-L63 PolarHBondContact O-N 3.49Å; K59-L63 VanDerWaalsContact O-N 3.09Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 3.47Å; L63-K67 WeakPolarHBondContact O-CG 3.25Å; L63-K67 PolarHBondContact O-N 3.16Å
64M96Very high96Very high126 Ų126105.3 Ų105.362%0.62151%0.505SS*.Hα-helixtrans-72.8-38.3178.1-167.8170.5-176.100111.3E60 E61 D62 K67 I68E60-M64 WeakPolarHBondContact O-CB 2.79Å; E60-M64 PolarHBondContact O-N 2.91Å; E60-M64 VanDerWaalsContact O-N 3.08Å; E61-M64 WeakPolarHBondContact O-CA 3.17Å; E61-M64 WeakPolarHBondContact O-CB 3.33Å; E61-M64 PolarHBondContact O-N 3.02Å; D62-M64 VanDerWaalsContact C-N 3.25Å; D62-M64 PolarHBondContact O-N 3.46Å; M64-K67 PolarHBondContact O-N 3.09Å; M64-I68 HydrophobicContact CG-CD1 4.25Å; M64-I68 VanDerWaalsContact O-CG1 3.27Å; M64-I68 WeakPolarHBondContact O-CG1 3.45Å; M64-I68 PolarHBondContact O-N 3.2Å
65I96.8Very high96.2Very high73 Ų73102.6 Ų102.637%0.37450%0.501SS..Hα-helixtrans-62-47173.9-68166.6000110.2E61 D62 K67 I68 Q69E61-I65 HydrophobicContact CG-CD1 4.29Å; E61-I65 WeakPolarHBondContact O-CG1 3.38Å; E61-I65 PolarHBondContact O-N 3.12Å; D62-I65 PolarHBondContact O-N 2.86Å; I65-K67 VanDerWaalsContact C-N 3.31Å; I65-K67 PolarHBondContact O-N 3.24Å; I65-I68 PolarHBondContact O-N 3.01Å; I65-I68 VanDerWaalsContact O-N 3.11Å; I65-Q69 WeakPolarHBondContact O-CG 3.37Å; I65-Q69 PolarHBondContact O-N 3.38Å
66D96.6Very high96.3Very high94 Ų94105.2 Ų105.250%0.50351%0.511SS..Hα-helixtrans-57.2-45177.7-70.6-16.6000111.3D62 I68 Q69 E70D62-D66 PolarHBondContact O-N 3.04Å; D66-I68 PolarHBondContact O-N 3.44Å; D66-Q69 PolarHBondContact O-N 3.29Å; D66-E70 PolarHBondContact O-N 3.33Å
67K96.9Very high96.4Very high100 Ų100104 Ų10444%0.43551%0.507SS..Hα-helixtrans-64.4-38176.1-77.2-179.3177.1-177.50113.4L63 M64 I65 Q69 E70 Y71L63-K67 WeakPolarHBondContact O-CG 3.25Å; L63-K67 PolarHBondContact O-N 3.16Å; M64-K67 PolarHBondContact O-N 3.09Å; I65-K67 VanDerWaalsContact C-N 3.31Å; I65-K67 PolarHBondContact O-N 3.24Å; K67-Q69 VanDerWaalsContact C-N 3.31Å; K67-E70 PolarHBondContact O-N 3.03Å; K67-Y71 HydrophobicContact CB-CE2 4.44Å; K67-Y71 WeakPolarHBondContact O-CD2 3.24Å; K67-Y71 PolarHBondContact O-N 3.36Å
68I96.8Very high96.4Very high102 Ų102104 Ų10452%0.52351%0.509SS..Hα-helixtrans-65-40.8176.8-71.7164.7000110.1M64 I65 D66 S72M64-I68 HydrophobicContact CG-CD1 4.25Å; M64-I68 VanDerWaalsContact O-CG1 3.27Å; M64-I68 WeakPolarHBondContact O-CG1 3.45Å; M64-I68 PolarHBondContact O-N 3.2Å; I65-I68 PolarHBondContact O-N 3.01Å; I65-I68 VanDerWaalsContact O-N 3.11Å; D66-I68 PolarHBondContact O-N 3.44Å; I68-S72 VanDerWaalsContact O-CB 3.3Å; I68-S72 WeakPolarHBondContact O-CB 3.34Å; I68-S72 PolarHBondContact O-N 3.47Å
69Q96.4Very high96.5Very high111 Ų111102.7 Ų102.752%0.51951%0.508SS..Hα-helixtrans-63.3-47.2175.6-70.5177.20.500111.1I65 D66 K67 Y71 S72 D73I65-Q69 WeakPolarHBondContact O-CG 3.37Å; I65-Q69 PolarHBondContact O-N 3.38Å; D66-Q69 PolarHBondContact O-N 3.29Å; K67-Q69 VanDerWaalsContact C-N 3.31Å; Q69-Y71 PolarHBondContact O-N 2.89Å; Q69-S72 WeakPolarHBondContact O-CB 3.08Å; Q69-S72 PolarHBondContact O-N 3.15Å; Q69-S72 VanDerWaalsContact O-N 3.14Å; Q69-D73 PolarHBondContact O-N 2.98Å
70E96.9Very high96.6Very high111 Ų111102.6 Ų102.652%0.51951%0.508SS..Hα-helixtrans-55.5-51176.2-174.5177.4-165.400111.8D66 K67 S72 D73 E74D66-E70 PolarHBondContact O-N 3.33Å; K67-E70 PolarHBondContact O-N 3.03Å; E70-S72 VanDerWaalsContact C-N 3.32Å; E70-S72 PolarHBondContact O-N 3.37Å; E70-D73 PolarHBondContact O-N 2.97Å; E70-E74 WeakPolarHBondContact O-CG 3.45Å; E70-E74 PolarHBondContact O-N 3.41Å
71Y96.7Very high96.6Very high132 Ų132104.2 Ų104.252%0.51851%0.509SS..Hα-helixtrans-64.7-34.7177.6-68.3-43.4000113.1K67 Q69 E74 I75K67-Y71 HydrophobicContact CB-CE2 4.44Å; K67-Y71 WeakPolarHBondContact O-CD2 3.24Å; K67-Y71 PolarHBondContact O-N 3.36Å; Q69-Y71 PolarHBondContact O-N 2.89Å; Y71-E74 PolarHBondContact O-N 2.94Å; Y71-I75 WeakPolarHBondContact O-CB 3.34Å; Y71-I75 WeakPolarHBondContact O-CD1 3.16Å; Y71-I75 WeakPolarHBondContact O-CG1 3.23Å; Y71-I75 PolarHBondContact O-N 3.32Å
72S97.1Very high96.7Very high59 Ų59103.1 Ų103.141%0.41351%0.506SS..Hα-helixtrans-63.9-42.9176.2-1770000111.2I68 Q69 E70 I75 L76I68-S72 VanDerWaalsContact O-CB 3.3Å; I68-S72 WeakPolarHBondContact O-CB 3.34Å; I68-S72 PolarHBondContact O-N 3.47Å; Q69-S72 WeakPolarHBondContact O-CB 3.08Å; Q69-S72 PolarHBondContact O-N 3.15Å; Q69-S72 VanDerWaalsContact O-N 3.14Å; E70-S72 VanDerWaalsContact C-N 3.32Å; E70-S72 PolarHBondContact O-N 3.37Å; S72-I75 PolarHBondContact O-N 3.48Å; S72-L76 WeakPolarHBondContact O-CG 3.46Å; S72-L76 PolarHBondContact O-N 2.91Å
73D97.2Very high96.8Very high105 Ų105102 Ų10256%0.56150%0.504SS*.Hα-helixtrans-66.4-40.5177.5-73.1-15.7000111.7Q69 E70 L76 Q77Q69-D73 PolarHBondContact O-N 2.98Å; E70-D73 PolarHBondContact O-N 2.97Å; D73-L76 PolarHBondContact O-N 3.36Å; D73-Q77 WeakPolarHBondContact O-CB 3.37Å; D73-Q77 PolarHBondContact O-N 2.93Å
74E97.4Very high96.8Very high87 Ų87102 Ų10241%0.40750%0.502SS..Hα-helixtrans-60.6-45.6173.3-72.9-175.1168.200112.2E70 Y71 L76 Q77 Q78E70-E74 WeakPolarHBondContact O-CG 3.45Å; E70-E74 PolarHBondContact O-N 3.41Å; Y71-E74 PolarHBondContact O-N 2.94Å; E74-L76 VanDerWaalsContact C-N 3.35Å; E74-L76 PolarHBondContact O-N 3.36Å; E74-Q77 PolarHBondContact O-N 2.91Å; E74-Q78 WeakPolarHBondContact O-CB 3.41Å; E74-Q78 WeakPolarHBondContact O-CG 3.28Å; E74-Q78 PolarHBondContact O-N 2.98Å
75I96.9Very high96.8Very high110 Ų110101 Ų10156%0.56450%0.499SS*.Hα-helixtrans-61.8-43.6177.9-72.3166.1000110.6Y71 S72 Q77 Q78 S79Y71-I75 WeakPolarHBondContact O-CB 3.34Å; Y71-I75 WeakPolarHBondContact O-CD1 3.16Å; Y71-I75 WeakPolarHBondContact O-CG1 3.23Å; Y71-I75 PolarHBondContact O-N 3.32Å; S72-I75 PolarHBondContact O-N 3.48Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 2.96Å; I75-Q78 PolarHBondContact O-N 3.41Å; I75-S79 VanDerWaalsContact O-CB 3.29Å; I75-S79 WeakPolarHBondContact O-CB 3.4Å; I75-S79 PolarHBondContact O-N 3.41Å
76L96.9Very high96.8Very high110 Ų110103.3 Ų103.358%0.57651%0.508SS*.Hα-helixtrans-61.3-43.9176.2-77170.6000111.4S72 D73 E74 S79 K80S72-L76 WeakPolarHBondContact O-CG 3.46Å; S72-L76 PolarHBondContact O-N 2.91Å; D73-L76 PolarHBondContact O-N 3.36Å; E74-L76 VanDerWaalsContact C-N 3.35Å; E74-L76 PolarHBondContact O-N 3.36Å; L76-S79 PolarHBondContact O-N 2.82Å; L76-K80 PolarHBondContact O-N 3.19Å
77Q96.8Very high96.8Very high109 Ų109105.1 Ų105.151%0.50951%0.514SS..Hα-helixtrans-64.7-42.6178.1-165.4-176.62100111.8D73 E74 I75 K80 R81D73-Q77 WeakPolarHBondContact O-CB 3.37Å; D73-Q77 PolarHBondContact O-N 2.93Å; E74-Q77 PolarHBondContact O-N 2.91Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 2.96Å; Q77-K80 PolarHBondContact O-N 3.44Å; Q77-R81 WeakPolarHBondContact O-CG 3.3Å; Q77-R81 PolarHBondContact O-N 2.9Å; Q77-R81 VanDerWaalsContact O-N 3.14Å
78Q96.4Very high96.8Very high116 Ų116105.8 Ų105.854%0.54252%0.518SS..Hα-helixtrans-64.5-44.1176.3-73.4-176.38.400111.8E74 I75 K80 R81 I82E74-Q78 WeakPolarHBondContact O-CB 3.41Å; E74-Q78 WeakPolarHBondContact O-CG 3.28Å; E74-Q78 PolarHBondContact O-N 2.98Å; I75-Q78 PolarHBondContact O-N 3.41Å; Q78-K80 VanDerWaalsContact C-N 3.31Å; Q78-K80 PolarHBondContact O-N 2.81Å; Q78-R81 PolarHBondContact O-N 3.2Å; Q78-I82 VanDerWaalsContact O-CG1 3.32Å; Q78-I82 WeakPolarHBondContact O-CG1 3.38Å; Q78-I82 PolarHBondContact O-N 2.87Å
79S96.4Very high96.7Very high72 Ų72106.4 Ų106.450%0.50352%0.522SS..Hα-helixtrans-57.3-44.6176.9-1770000111.6I75 L76 R81 I82 S83I75-S79 VanDerWaalsContact O-CB 3.29Å; I75-S79 WeakPolarHBondContact O-CB 3.4Å; I75-S79 PolarHBondContact O-N 3.41Å; L76-S79 PolarHBondContact O-N 2.82Å; S79-R81 PolarHBondContact O-N 2.87Å; S79-I82 PolarHBondContact O-N 3.22Å; S79-S83 PolarHBondContact O-N 2.87Å
80K97.1Very high96.7Very high138 Ų138105.5 Ų105.560%0.652%0.524SS*.Hα-helixtrans-59.2-48.1175.1-173.5178.5178-176.50112.1L76 Q77 Q78 I82 S83 E84L76-K80 PolarHBondContact O-N 3.19Å; Q77-K80 PolarHBondContact O-N 3.44Å; Q78-K80 VanDerWaalsContact C-N 3.31Å; Q78-K80 PolarHBondContact O-N 2.81Å; K80-I82 VanDerWaalsContact C-N 3.31Å; K80-I82 PolarHBondContact O-N 3.33Å; K80-S83 WeakPolarHBondContact O-CB 3.32Å; K80-S83 PolarHBondContact O-N 2.97Å; K80-E84 WeakPolarHBondContact CE-OE1 3.49Å; K80-E84 WeakPolarHBondContact O-CG 3.35Å; K80-E84 PolarHBondContact O-N 3.3Å
81R96.6Very high96.7Very high137 Ų137106.6 Ų106.652%0.51753%0.527SS..Hα-helixtrans-61.8-38.1177.7-68.8176.9-171.7-173.36.7112.3Q77 Q78 S79 N85Q77-R81 WeakPolarHBondContact O-CG 3.3Å; Q77-R81 PolarHBondContact O-N 2.9Å; Q77-R81 VanDerWaalsContact O-N 3.14Å; Q78-R81 PolarHBondContact O-N 3.2Å; S79-R81 PolarHBondContact O-N 2.87Å; R81-N85 WeakPolarHBondContact O-CB 3.36Å; R81-N85 PolarHBondContact O-N 3.49Å; R81-N85 PolarHBondContact O-ND2 2.64Å
82I96.9Very high96.7Very high96 Ų96104.2 Ų104.249%0.49252%0.523SS..Hα-helixtrans-63.6-44.4176.3-70.2166.6000110.3Q78 S79 K80 N85 Q86Q78-I82 VanDerWaalsContact O-CG1 3.32Å; Q78-I82 WeakPolarHBondContact O-CG1 3.38Å; Q78-I82 PolarHBondContact O-N 2.87Å; S79-I82 PolarHBondContact O-N 3.22Å; K80-I82 VanDerWaalsContact C-N 3.31Å; K80-I82 PolarHBondContact O-N 3.33Å; I82-N85 PolarHBondContact O-N 3.45Å; I82-Q86 HydrophobicContact CG2-CG 4.5Å; I82-Q86 WeakPolarHBondContact O-CB 3.48Å; I82-Q86 WeakPolarHBondContact O-CG 3.34Å; I82-Q86 PolarHBondContact O-N 3.45Å
83S96.6Very high96.7Very high54 Ų54108.2 Ų108.238%0.37853%0.533SS..Hα-helixtrans-60.8-48177.1-167.10000111.7S79 K80 N85 Q86 E87S79-S83 PolarHBondContact O-N 2.87Å; K80-S83 WeakPolarHBondContact O-CB 3.32Å; K80-S83 PolarHBondContact O-N 2.97Å; S83-N85 VanDerWaalsContact C-N 3.33Å; S83-N85 PolarHBondContact O-N 2.96Å; S83-Q86 WeakPolarHBondContact O-CB 3.31Å; S83-Q86 PolarHBondContact O-N 3.4Å; S83-E87 PolarHBondContact O-N 2.93Å
84E96.9Very high96.6Very high100 Ų100106.2 Ų106.247%0.46753%0.527SS..Hα-helixtrans-59.8-43.1177.5-70.6169.9177.100111.6K80 Q86 E87 H88K80-E84 WeakPolarHBondContact CE-OE1 3.49Å; K80-E84 WeakPolarHBondContact O-CG 3.35Å; K80-E84 PolarHBondContact O-N 3.3Å; E84-Q86 PolarHBondContact O-N 2.94Å; E84-E87 PolarHBondContact O-N 3.4Å; E84-H88 PolarHBondContact O-N 3.37Å
85N96.3Very high96.6Very high105 Ų105106.2 Ų106.256%0.56153%0.53SS*.Hα-helixtrans-66.1-36.7176.7-75.1-16.9000112.5R81 I82 S83 H88 L89R81-N85 WeakPolarHBondContact O-CB 3.36Å; R81-N85 PolarHBondContact O-N 3.49Å; R81-N85 PolarHBondContact O-ND2 2.64Å; I82-N85 PolarHBondContact O-N 3.45Å; S83-N85 VanDerWaalsContact C-N 3.33Å; S83-N85 PolarHBondContact O-N 2.96Å; N85-H88 PolarHBondContact O-N 3.02Å; N85-L89 WeakPolarHBondContact O-CB 3.38Å; N85-L89 VanDerWaalsContact O-CG 3.32Å; N85-L89 WeakPolarHBondContact O-CG 3.39Å; N85-L89 PolarHBondContact O-N 2.84Å
86Q96.6Very high96.6Very high121 Ų121105.7 Ų105.757%0.56553%0.527SS*.Hα-helixtrans-63.8-44.3175.4-79.8-178.3-15.400111.5I82 S83 E84 H88 L89 T90I82-Q86 HydrophobicContact CG2-CG 4.5Å; I82-Q86 WeakPolarHBondContact O-CB 3.48Å; I82-Q86 WeakPolarHBondContact O-CG 3.34Å; I82-Q86 PolarHBondContact O-N 3.45Å; S83-Q86 WeakPolarHBondContact O-CB 3.31Å; S83-Q86 PolarHBondContact O-N 3.4Å; E84-Q86 PolarHBondContact O-N 2.94Å; Q86-H88 VanDerWaalsContact C-N 3.32Å; Q86-H88 PolarHBondContact O-N 3.43Å; Q86-L89 PolarHBondContact O-N 2.92Å; Q86-T90 WeakPolarHBondContact O-CG2 3.26Å; Q86-T90 PolarHBondContact O-N 3.49Å; Q86-T90 PolarHBondContact O-OG1 3.35Å
87E96.4Very high96.5Very high132 Ų132105 Ų10562%0.61752%0.524SS*.Hα-helixtrans-61.7-39.9174.4-71-179.7-172.900112.1S83 E84 T90 K91S83-E87 PolarHBondContact O-N 2.93Å; E84-E87 PolarHBondContact O-N 3.4Å; E87-T90 PolarHBondContact O-N 2.87Å; E87-T90 PolarHBondContact O-OG1 3.37Å; E87-K91 PolarHBondContact O-N 3.48Å; E87-K91 VanDerWaalsContact O-N 3.11Å
88H96.6Very high96.5Very high114 Ų114105 Ų10553%0.52852%0.524SS..Hα-helixtrans-65.7-40.9176.5-163-98.3000111.9E84 N85 Q86 K91 I92E84-H88 PolarHBondContact O-N 3.37Å; N85-H88 PolarHBondContact O-N 3.02Å; Q86-H88 VanDerWaalsContact C-N 3.32Å; Q86-H88 PolarHBondContact O-N 3.43Å; H88-K91 PolarHBondContact O-N 2.99Å; H88-I92 VanDerWaalsContact CE1-CD1 3.47Å; H88-I92 WeakPolarHBondContact CE1-CD1 3.49Å; H88-I92 WeakPolarHBondContact ND1-CD1 3.33Å; H88-I92 WeakPolarHBondContact O-CG1 3.36Å; H88-I92 PolarHBondContact O-N 2.94Å
89L96Very high96.5Very high115 Ų115105.1 Ų105.160%0.60253%0.525SS*.Hα-helixtrans-65.2-40.2176.7-76.9172.2000112.5N85 Q86 K91 I92 K93N85-L89 WeakPolarHBondContact O-CB 3.38Å; N85-L89 VanDerWaalsContact O-CG 3.32Å; N85-L89 WeakPolarHBondContact O-CG 3.39Å; N85-L89 PolarHBondContact O-N 2.84Å; Q86-L89 PolarHBondContact O-N 2.92Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-I92 PolarHBondContact O-N 2.91Å; L89-K93 WeakPolarHBondContact O-CB 3.36Å; L89-K93 PolarHBondContact O-N 3.39Å
90T96.5Very high96.5Very high93 Ų93106.3 Ų106.357%0.57152%0.522SS*.Hα-helixtrans-64.8-40.3176.855.70000111.1Q86 E87 K93 S94Q86-T90 WeakPolarHBondContact O-CG2 3.26Å; Q86-T90 PolarHBondContact O-N 3.49Å; Q86-T90 PolarHBondContact O-OG1 3.35Å; E87-T90 PolarHBondContact O-N 2.87Å; E87-T90 PolarHBondContact O-OG1 3.37Å; T90-K93 PolarHBondContact O-N 3.07Å; T90-S94 PolarHBondContact O-N 3.02Å; T90-S94 PolarHBondContact O-OG 3.25Å
91K96.9Very high96.4Very high133 Ų133104.1 Ų104.158%0.57851%0.514SS*.Hα-helixtrans-64.1-43.8174.7-172.8178.5-178.7-179.50112.8E87 H88 L89 K93 S94 N95E87-K91 PolarHBondContact O-N 3.48Å; E87-K91 VanDerWaalsContact O-N 3.11Å; H88-K91 PolarHBondContact O-N 2.99Å; L89-K91 VanDerWaalsContact C-N 3.33Å; K91-K93 VanDerWaalsContact C-N 3.3Å; K91-K93 PolarHBondContact O-N 2.97Å; K91-S94 PolarHBondContact O-N 3.3Å; K91-S94 PolarHBondContact O-OG 3.43Å; K91-N95 VanDerWaalsContact O-CG 3.25Å; K91-N95 PolarHBondContact O-N 3.39Å; K91-N95 VanDerWaalsContact O-N 3.09Å; K91-N95 PolarHBondContact O-OD1 3.32Å
92I96.4Very high96.5Very high83 Ų83101.3 Ų101.343%0.42651%0.507SS..Hα-helixtrans-60.9-44.1174.7-70.8169.5000110.1H88 L89 S94 N95 L96H88-I92 VanDerWaalsContact CE1-CD1 3.47Å; H88-I92 WeakPolarHBondContact CE1-CD1 3.49Å; H88-I92 WeakPolarHBondContact ND1-CD1 3.33Å; H88-I92 WeakPolarHBondContact O-CG1 3.36Å; H88-I92 PolarHBondContact O-N 2.94Å; L89-I92 PolarHBondContact O-N 2.91Å; I92-S94 PolarHBondContact O-N 3.39Å; I92-N95 PolarHBondContact O-N 2.99Å; I92-L96 WeakPolarHBondContact O-CB 3.32Å; I92-L96 PolarHBondContact O-N 3.49Å
93K96.6Very high96.5Very high142 Ų142103 Ų10362%0.61751%0.511SS*.Hα-helixtrans-63-41.7-179.8-172.9176.4-178.4179.10112.3L89 T90 K91 N95 L96 N97L89-K93 WeakPolarHBondContact O-CB 3.36Å; L89-K93 PolarHBondContact O-N 3.39Å; T90-K93 PolarHBondContact O-N 3.07Å; K91-K93 VanDerWaalsContact C-N 3.3Å; K91-K93 PolarHBondContact O-N 2.97Å; K93-N95 VanDerWaalsContact C-N 3.34Å; K93-L96 PolarHBondContact O-N 2.89Å; K93-N97 VanDerWaalsContact O-CG 3.31Å; K93-N97 PolarHBondContact O-N 3.36Å
94S96.1Very high96.5Very high63 Ų63106 Ų10644%0.44152%0.517SS..Hα-helixtrans-64.1-40.8175.858.90000111.9T90 K91 I92 N97 H98T90-S94 PolarHBondContact O-N 3.02Å; T90-S94 PolarHBondContact O-OG 3.25Å; K91-S94 PolarHBondContact O-N 3.3Å; K91-S94 PolarHBondContact O-OG 3.43Å; I92-S94 PolarHBondContact O-N 3.39Å; S94-N97 PolarHBondContact O-N 3Å; S94-H98 PolarHBondContact O-N 2.91Å
95N96.6Very high96.5Very high88 Ų88106 Ų10647%0.47152%0.52SS..Hα-helixtrans-64.9-44.2177.3-68.6-3.1000111.3K91 I92 K93 N97 H98 E99K91-N95 VanDerWaalsContact O-CG 3.25Å; K91-N95 PolarHBondContact O-N 3.39Å; K91-N95 VanDerWaalsContact O-N 3.09Å; K91-N95 PolarHBondContact O-OD1 3.32Å; I92-N95 PolarHBondContact O-N 2.99Å; K93-N95 VanDerWaalsContact C-N 3.34Å; N95-N97 VanDerWaalsContact C-N 3.34Å; N95-N97 PolarHBondContact O-N 3.36Å; N95-H98 WeakPolarHBondContact O-CB 3.07Å; N95-H98 PolarHBondContact O-N 2.98Å; N95-H98 VanDerWaalsContact O-N 3.13Å; N95-E99 WeakPolarHBondContact O-CG 3.44Å; N95-E99 PolarHBondContact O-N 2.92Å
96L96.6Very high96.5Very high98 Ų98106.1 Ų106.151%0.51352%0.52SS..Hα-helixtrans-61.2-43.2178.5-170.8147000111.8I92 K93 H98 E99 E100I92-L96 WeakPolarHBondContact O-CB 3.32Å; I92-L96 PolarHBondContact O-N 3.49Å; K93-L96 PolarHBondContact O-N 2.89Å; L96-H98 VanDerWaalsContact C-N 3.29Å; L96-H98 PolarHBondContact O-N 3.32Å; L96-E99 PolarHBondContact O-N 2.9Å; L96-E100 WeakPolarHBondContact O-CB 3.3Å; L96-E100 PolarHBondContact O-N 2.92Å
97N96Very high96.5Very high95 Ų95104.2 Ų104.251%0.50852%0.517SS..Hα-helixtrans-62.3-38175.3-72.2-10.3000112.2K93 S94 N95 E101K93-N97 VanDerWaalsContact O-CG 3.31Å; K93-N97 PolarHBondContact O-N 3.36Å; S94-N97 PolarHBondContact O-N 3Å; N95-N97 VanDerWaalsContact C-N 3.34Å; N95-N97 PolarHBondContact O-N 3.36Å; N97-E101 PolarHBondContact O-N 3.46Å
98H96.1Very high96.5Very high110 Ų11099.5 Ų99.551%0.50950%0.504SS..Hα-helixtrans-66.5-46.1177.2-175.955.7000111.9S94 N95 L96 E100 E101 Q102S94-H98 PolarHBondContact O-N 2.91Å; N95-H98 WeakPolarHBondContact O-CB 3.07Å; N95-H98 PolarHBondContact O-N 2.98Å; N95-H98 VanDerWaalsContact O-N 3.13Å; L96-H98 VanDerWaalsContact C-N 3.29Å; L96-H98 PolarHBondContact O-N 3.32Å; H98-E100 VanDerWaalsContact C-N 3.32Å; H98-E100 PolarHBondContact O-N 3.45Å; H98-E101 PolarHBondContact O-N 3.47Å; H98-Q102 PolarHBondContact CD2-NE2 3.05Å; H98-Q102 PolarHBondContact NE2-NE2 3.37Å; H98-Q102 WeakPolarHBondContact O-CG 3.45Å; H98-Q102 PolarHBondContact O-N 3.03Å
99E96.2Very high96.6Very high118 Ų11896.8 Ų96.855%0.55150%0.498SS*.Hα-helixtrans-61.9-38.1175.8-68.2-68.1148.800112N95 L96 E101 Q102 K103N95-E99 WeakPolarHBondContact O-CG 3.44Å; N95-E99 PolarHBondContact O-N 2.92Å; L96-E99 PolarHBondContact O-N 2.9Å; E99-E101 VanDerWaalsContact C-N 3.34Å; E99-E101 PolarHBondContact O-N 3.33Å; E99-Q102 PolarHBondContact O-N 3.43Å; E99-K103 VanDerWaalsContact O-CB 3.29Å; E99-K103 WeakPolarHBondContact O-CB 3.49Å; E99-K103 PolarHBondContact O-N 3.22Å
100E96.2Very high96.6Very high98 Ų9895.5 Ų95.546%0.45849%0.49SS..Hα-helixtrans-61.4-42.3175-170.899.6-127.800111.5L96 H98 K103 K104L96-E100 WeakPolarHBondContact O-CB 3.3Å; L96-E100 PolarHBondContact O-N 2.92Å; H98-E100 VanDerWaalsContact C-N 3.32Å; H98-E100 PolarHBondContact O-N 3.45Å; E100-K103 PolarHBondContact O-N 2.97Å; E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 2.93Å; E100-K104 VanDerWaalsContact O-N 3.11Å
101E96.2Very high96.7Very high92 Ų9295.6 Ų95.643%0.4348%0.484SS..Hα-helixtrans-69.6-45.4178.4-160.563.4-16700111.5N97 H98 E99 K103 K104 D105N97-E101 PolarHBondContact O-N 3.46Å; H98-E101 PolarHBondContact O-N 3.47Å; E99-E101 VanDerWaalsContact C-N 3.34Å; E99-E101 PolarHBondContact O-N 3.33Å; E101-K103 PolarHBondContact O-N 3.46Å; E101-K104 WeakPolarHBondContact O-CB 3.46Å; E101-K104 PolarHBondContact O-N 3.02Å; E101-K104 IonicContact OE2-NZ 2.88Å; E101-K104 PolarHBondContact OE2-NZ 3.46Å; E101-D105 PolarHBondContact O-N 3.49Å
102Q96.8Very high96.7Very high77 Ų7795.4 Ų95.436%0.3649%0.486SS..Hα-helixtrans-56.2-40.2173.5-71.4-170.312.800111.9H98 E99 D105 L106H98-Q102 PolarHBondContact CD2-NE2 3.05Å; H98-Q102 PolarHBondContact NE2-NE2 3.37Å; H98-Q102 WeakPolarHBondContact O-CG 3.45Å; H98-Q102 PolarHBondContact O-N 3.03Å; E99-Q102 PolarHBondContact O-N 3.43Å; Q102-D105 PolarHBondContact O-N 2.99Å; Q102-L106 WeakPolarHBondContact O-CB 3.36Å; Q102-L106 VanDerWaalsContact O-CG 3.3Å; Q102-L106 WeakPolarHBondContact O-CG 3.49Å; Q102-L106 PolarHBondContact O-N 3.18Å
103K97.1Very high96.8Very high133 Ų13396.9 Ų96.958%0.57849%0.494SS*.Hα-helixtrans-63.7-40.1177-178.9-175.3172.4-169.80112E99 E100 E101 T107E99-K103 VanDerWaalsContact O-CB 3.29Å; E99-K103 WeakPolarHBondContact O-CB 3.49Å; E99-K103 PolarHBondContact O-N 3.22Å; E100-K103 PolarHBondContact O-N 2.97Å; E101-K103 PolarHBondContact O-N 3.46Å; K103-T107 WeakPolarHBondContact O-CB 3.29Å; K103-T107 PolarHBondContact O-N 2.91Å; K103-T107 PolarHBondContact O-OG1 3.14Å
104K96.8Very high96.8Very high116 Ų11696.1 Ų96.150%0.50449%0.491SS..Hα-helixtrans-64.5-46.3175.4-70.2176.1-159.9154.70111E100 E101 L106 T107 G108E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 2.93Å; E100-K104 VanDerWaalsContact O-N 3.11Å; E101-K104 WeakPolarHBondContact O-CB 3.46Å; E101-K104 PolarHBondContact O-N 3.02Å; E101-K104 IonicContact OE2-NZ 2.88Å; E101-K104 PolarHBondContact OE2-NZ 3.46Å; K104-L106 PolarHBondContact O-N 3.42Å; K104-T107 WeakPolarHBondContact O-CB 3.34Å; K104-T107 PolarHBondContact O-N 3.38Å; K104-T107 VanDerWaalsContact O-N 3.16Å; K104-G108 PolarHBondContact O-N 2.89Å
105D96.7Very high96.8Very high99 Ų9997.6 Ų97.653%0.52949%0.49SS..Hα-helixtrans-59-49.9178.7-70.9-17.2000111.1E101 Q102 T107 G108 S109E101-D105 PolarHBondContact O-N 3.49Å; Q102-D105 PolarHBondContact O-N 2.99Å; D105-T107 VanDerWaalsContact C-N 3.29Å; D105-T107 PolarHBondContact O-N 2.91Å; D105-G108 PolarHBondContact O-N 2.69Å; D105-G108 VanDerWaalsContact O-N 3.14Å; D105-S109 PolarHBondContact O-N 3.24Å; D105-S109 PolarHBondContact O-OG 3.49Å
106L97.1Very high96.8Very high108 Ų10898 Ų9857%0.56549%0.489SS*.Hα-helixtrans-59.2-40.4176-75.4168.7000112Q102 K104 S109 I110Q102-L106 WeakPolarHBondContact O-CB 3.36Å; Q102-L106 VanDerWaalsContact O-CG 3.3Å; Q102-L106 WeakPolarHBondContact O-CG 3.49Å; Q102-L106 PolarHBondContact O-N 3.18Å; K104-L106 PolarHBondContact O-N 3.42Å; L106-S109 PolarHBondContact O-N 3.25Å; L106-I110 WeakPolarHBondContact O-CB 3.35Å; L106-I110 WeakPolarHBondContact O-CD1 3.48Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 3.05Å
107T96.8Very high96.9Very high82 Ų8298.6 Ų98.650%0.50349%0.492SS..Hα-helixtrans-64.6-41.3177.3-58.50000111.2K103 K104 D105 I110 Q111K103-T107 WeakPolarHBondContact O-CB 3.29Å; K103-T107 PolarHBondContact O-N 2.91Å; K103-T107 PolarHBondContact O-OG1 3.14Å; K104-T107 WeakPolarHBondContact O-CB 3.34Å; K104-T107 PolarHBondContact O-N 3.38Å; K104-T107 VanDerWaalsContact O-N 3.16Å; D105-T107 VanDerWaalsContact C-N 3.29Å; D105-T107 PolarHBondContact O-N 2.91Å; T107-I110 PolarHBondContact O-N 3.09Å; T107-Q111 PolarHBondContact O-N 3.39Å; T107-Q111 VanDerWaalsContact O-N 3.09Å
108G97.4Very high96.9Very high33 Ų33100 Ų10034%0.3450%0.497SS..Hα-helixtrans-60-51.3173.600000111.8K104 D105 I110 Q111 E112K104-G108 PolarHBondContact O-N 2.89Å; D105-G108 PolarHBondContact O-N 2.69Å; D105-G108 VanDerWaalsContact O-N 3.14Å; G108-I110 VanDerWaalsContact C-N 3.31Å; G108-I110 PolarHBondContact O-N 3Å; G108-Q111 WeakPolarHBondContact O-CB 3.3Å; G108-Q111 PolarHBondContact O-N 2.84Å; G108-E112 PolarHBondContact O-N 2.97Å
109S97.1Very high96.9Very high57 Ų57100.9 Ų100.940%0.39950%0.5SS..Hα-helixtrans-60-39.4177.8-59.20000112.8D105 L106 Q111 E112 L113D105-S109 PolarHBondContact O-N 3.24Å; D105-S109 PolarHBondContact O-OG 3.49Å; L106-S109 PolarHBondContact O-N 3.25Å; S109-Q111 VanDerWaalsContact C-N 3.3Å; S109-Q111 PolarHBondContact O-N 3.35Å; S109-E112 PolarHBondContact O-N 3.16Å; S109-L113 WeakPolarHBondContact O-CB 3.27Å; S109-L113 VanDerWaalsContact O-CG 3.27Å; S109-L113 WeakPolarHBondContact O-CG 3.39Å; S109-L113 PolarHBondContact O-N 3.43Å
110I97.5Very high96.9Very high87 Ų87100.9 Ų100.945%0.44650%0.498SS..Hα-helixtrans-62.1-40.8175.4-73.4166.3000110.9L106 T107 G108 K114L106-I110 WeakPolarHBondContact O-CB 3.35Å; L106-I110 WeakPolarHBondContact O-CD1 3.48Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 3.05Å; T107-I110 PolarHBondContact O-N 3.09Å; G108-I110 VanDerWaalsContact C-N 3.31Å; G108-I110 PolarHBondContact O-N 3Å; I110-K114 HydrophobicContact CG2-CD 4.18Å; I110-K114 WeakPolarHBondContact O-CB 3.38Å; I110-K114 VanDerWaalsContact O-CG 3.29Å; I110-K114 WeakPolarHBondContact O-CG 3.33Å; I110-K114 PolarHBondContact O-N 2.99Å
111Q97.4Very high96.9Very high95 Ų95103 Ų10344%0.44451%0.506SS..Hα-helixtrans-66.6-46.1179.6-176.859.524.300111.4T107 G108 S109 L113 K114 E115T107-Q111 PolarHBondContact O-N 3.39Å; T107-Q111 VanDerWaalsContact O-N 3.09Å; G108-Q111 WeakPolarHBondContact O-CB 3.3Å; G108-Q111 PolarHBondContact O-N 2.84Å; S109-Q111 VanDerWaalsContact C-N 3.3Å; S109-Q111 PolarHBondContact O-N 3.35Å; Q111-L113 PolarHBondContact O-N 3.23Å; Q111-K114 WeakPolarHBondContact O-CB 3.35Å; Q111-K114 PolarHBondContact O-N 2.9Å; Q111-E115 PolarHBondContact NE2-OE1 3.45Å; Q111-E115 WeakPolarHBondContact O-CG 3.21Å; Q111-E115 PolarHBondContact O-N 3.26Å
112E97.1Very high96.9Very high130 Ų130105.5 Ų105.561%0.60752%0.517SS*.Hα-helixtrans-58.8-47.2176-69.6175.7175.100111.8G108 S109 K114 E115 E116G108-E112 PolarHBondContact O-N 2.97Å; S109-E112 PolarHBondContact O-N 3.16Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 2.98Å; E112-E115 PolarHBondContact O-N 2.93Å; E112-E116 PolarHBondContact O-N 3.38Å
113L97.6Very high96.9Very high113 Ų113106.1 Ų106.159%0.59252%0.522SS*.Hα-helixtrans-62.1-37.3177.9-73.8172.6000112.4S109 Q111 L117S109-L113 WeakPolarHBondContact O-CB 3.27Å; S109-L113 VanDerWaalsContact O-CG 3.27Å; S109-L113 WeakPolarHBondContact O-CG 3.39Å; S109-L113 PolarHBondContact O-N 3.43Å; Q111-L113 PolarHBondContact O-N 3.23Å; L113-L117 VanDerWaalsContact O-CB 3.3Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 2.98Å
114K97Very high96.8Very high127 Ų127104.4 Ų104.455%0.55252%0.519SS*.Hα-helixtrans-63.9-43.5174.7-79.6174.9179.1176.70111.6I110 Q111 E112 L117 M118I110-K114 HydrophobicContact CG2-CD 4.18Å; I110-K114 WeakPolarHBondContact O-CB 3.38Å; I110-K114 VanDerWaalsContact O-CG 3.29Å; I110-K114 WeakPolarHBondContact O-CG 3.33Å; I110-K114 PolarHBondContact O-N 2.99Å; Q111-K114 WeakPolarHBondContact O-CB 3.35Å; Q111-K114 PolarHBondContact O-N 2.9Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 PolarHBondContact O-N 2.98Å; K114-L117 PolarHBondContact O-N 3.48Å; K114-M118 WeakPolarHBondContact O-CG 3.38Å; K114-M118 PolarHBondContact O-N 2.9Å
115E97.1Very high96.7Very high94 Ų94102.5 Ų102.544%0.43952%0.52SS..Hα-helixtrans-65.9-42.4178.5-71.9177.4-163.500112Q111 E112 L117 M118 K119Q111-E115 PolarHBondContact NE2-OE1 3.45Å; Q111-E115 WeakPolarHBondContact O-CG 3.21Å; Q111-E115 PolarHBondContact O-N 3.26Å; E112-E115 PolarHBondContact O-N 2.93Å; E115-L117 PolarHBondContact O-N 3.38Å; E115-M118 PolarHBondContact O-N 3.04Å; E115-K119 WeakPolarHBondContact O-CG 3.47Å; E115-K119 PolarHBondContact O-N 3.45Å
116E96.9Very high96.6Very high95 Ų95101 Ų10144%0.44452%0.517SS..Hα-helixtrans-60.4-44.2173-78.3-158.6-177.700112.7E112 M118 K119 K120E112-E116 PolarHBondContact O-N 3.38Å; E116-M118 VanDerWaalsContact C-N 3.31Å; E116-M118 PolarHBondContact O-N 2.95Å; E116-K119 PolarHBondContact O-N 3.49Å; E116-K120 WeakPolarHBondContact O-CB 3.5Å; E116-K120 WeakPolarHBondContact O-CG 3.44Å; E116-K120 PolarHBondContact O-N 3.48Å; E116-K120 IonicContact OE2-NZ 3.49Å; E116-K120 PolarHBondContact OE2-NZ 2.85Å
117L97.2Very high96.4Very high111 Ų111102.3 Ų102.358%0.58152%0.518SS*.Hα-helixtrans-61.2-43.4179.1-173.5155.3000110.6L113 K114 E115 K120 K121L113-L117 VanDerWaalsContact O-CB 3.3Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 2.98Å; K114-L117 PolarHBondContact O-N 3.48Å; E115-L117 PolarHBondContact O-N 3.38Å; L117-K120 PolarHBondContact O-N 3.42Å; L117-K121 WeakPolarHBondContact O-CB 3.44Å; L117-K121 PolarHBondContact O-N 3.11Å
118M96.8Very high96.4Very high124 Ų124103.3 Ų103.361%0.61152%0.52SS*.Hα-helixtrans-60.6-47.6176.2-74.4-67.3-71.700111.8K114 E115 E116 K120 K121 E122K114-M118 WeakPolarHBondContact O-CG 3.38Å; K114-M118 PolarHBondContact O-N 2.9Å; E115-M118 PolarHBondContact O-N 3.04Å; E116-M118 VanDerWaalsContact C-N 3.31Å; E116-M118 PolarHBondContact O-N 2.95Å; M118-K120 PolarHBondContact O-N 3.38Å; M118-K121 PolarHBondContact O-N 3.11Å; M118-E122 PolarHBondContact O-N 3.43Å
119K96.8Very high96.3Very high129 Ų129108.1 Ų108.156%0.56153%0.532SS*.Hα-helixtrans-59-46.9176-71.4170.3-177.1168.50111.8E115 E116 K121 E122 I123E115-K119 WeakPolarHBondContact O-CG 3.47Å; E115-K119 PolarHBondContact O-N 3.45Å; E116-K119 PolarHBondContact O-N 3.49Å; K119-K121 VanDerWaalsContact C-N 3.33Å; K119-K121 PolarHBondContact O-N 2.84Å; K119-E122 PolarHBondContact O-N 2.95Å; K119-I123 WeakPolarHBondContact O-CG1 3.47Å; K119-I123 PolarHBondContact O-N 3.4Å
120K96.5Very high96.1Very high119 Ų119108 Ų10852%0.51754%0.535SS..Hα-helixtrans-61.5-41.3178.1-74169.8-178.51560111.4E116 L117 M118 I123 I124E116-K120 WeakPolarHBondContact O-CB 3.5Å; E116-K120 WeakPolarHBondContact O-CG 3.44Å; E116-K120 PolarHBondContact O-N 3.48Å; E116-K120 IonicContact OE2-NZ 3.49Å; E116-K120 PolarHBondContact OE2-NZ 2.85Å; L117-K120 PolarHBondContact O-N 3.42Å; M118-K120 PolarHBondContact O-N 3.38Å; K120-I123 PolarHBondContact O-N 3.46Å; K120-I124 VanDerWaalsContact O-CG1 3.32Å; K120-I124 WeakPolarHBondContact O-CG1 3.35Å; K120-I124 PolarHBondContact O-N 3.43Å
121K96.2Very high96Very high143 Ų143107.9 Ų107.962%0.62254%0.538SS*.Hα-helixtrans-63.5-40.9177.5-171.9176.6-179.9-1800112.2L117 M118 K119 I124 S125L117-K121 WeakPolarHBondContact O-CB 3.44Å; L117-K121 PolarHBondContact O-N 3.11Å; M118-K121 PolarHBondContact O-N 3.11Å; K119-K121 VanDerWaalsContact C-N 3.33Å; K119-K121 PolarHBondContact O-N 2.84Å; K121-I124 PolarHBondContact O-N 3.46Å; K121-S125 WeakPolarHBondContact O-CB 3.38Å; K121-S125 PolarHBondContact O-N 3.43Å
122E95.9Very high95.9Very high143 Ų143110.8 Ų110.867%0.66855%0.549SS*.Hα-helixtrans-65.8-41.7176.9-171.4174.1-170.300112.3M118 K119 I124 S125 S126M118-E122 PolarHBondContact O-N 3.43Å; K119-E122 PolarHBondContact O-N 2.95Å; E122-I124 PolarHBondContact O-N 3.06Å; E122-S125 PolarHBondContact O-N 3.43Å; E122-S126 PolarHBondContact O-N 2.93Å; E122-S126 PolarHBondContact O-OG 3.13Å
123I95.4Very high95.9Very high91 Ų91109 Ų10947%0.46754%0.54SS..Hα-helixtrans-61.8-44.1174.3-66.4165.8000111K119 K120 S126 K127K119-I123 WeakPolarHBondContact O-CG1 3.47Å; K119-I123 PolarHBondContact O-N 3.4Å; K120-I123 PolarHBondContact O-N 3.46Å; I123-S126 WeakPolarHBondContact CA-OG 3.47Å; I123-S126 PolarHBondContact O-OG 3.09Å; I123-K127 HydrophobicContact CG2-CD 4.09Å; I123-K127 HydrophobicContact CG2-CG 4.48Å; I123-K127 WeakPolarHBondContact O-CB 3.42Å; I123-K127 WeakPolarHBondContact O-CG 3.46Å; I123-K127 PolarHBondContact O-N 3.06Å
124I95.3Very high95.8Very high97 Ų97111.1 Ų111.150%0.49754%0.541SS..Hα-helixtrans-64.7-43.9177.8-69166.7000110.4K120 K121 E122 K127 N128K120-I124 VanDerWaalsContact O-CG1 3.32Å; K120-I124 WeakPolarHBondContact O-CG1 3.35Å; K120-I124 PolarHBondContact O-N 3.43Å; K121-I124 PolarHBondContact O-N 3.46Å; E122-I124 PolarHBondContact O-N 3.06Å; I124-K127 PolarHBondContact O-N 3.17Å; I124-N128 WeakPolarHBondContact CG2-ND2 3.46Å; I124-N128 VanDerWaalsContact O-CB 3.26Å; I124-N128 WeakPolarHBondContact O-CB 3.29Å; I124-N128 PolarHBondContact O-N 2.88Å; I124-N128 PolarHBondContact O-ND2 3.48Å
125S94.9Very high95.7Very high76 Ų76108.8 Ų108.853%0.53154%0.537SS..Hα-helixtrans-59.7-48.4178.4-175.50000112.1K121 E122 N128 K129K121-S125 WeakPolarHBondContact O-CB 3.38Å; K121-S125 PolarHBondContact O-N 3.43Å; E122-S125 PolarHBondContact O-N 3.43Å; S125-N128 PolarHBondContact O-N 3.39Å; S125-K129 WeakPolarHBondContact O-CB 3.16Å; S125-K129 PolarHBondContact O-N 3.18Å
126S94Very high95.7Very high67 Ų67108.7 Ų108.747%0.46954%0.537SS..Hα-helixtrans-64.5-44178.355.20000112.5E122 I123 N128 K129 A130E122-S126 PolarHBondContact O-N 2.93Å; E122-S126 PolarHBondContact O-OG 3.13Å; I123-S126 WeakPolarHBondContact CA-OG 3.47Å; I123-S126 PolarHBondContact O-OG 3.09Å; S126-N128 PolarHBondContact O-N 3.01Å; S126-K129 PolarHBondContact O-N 3.14Å; S126-A130 WeakPolarHBondContact O-CB 3.32Å; S126-A130 PolarHBondContact O-N 3.38Å
127K94.5Very high95.7Very high135 Ų135112.4 Ų112.459%0.58755%0.546SS*.Hα-helixtrans-62.6-40.3174.9-76-176.4177.3-176.30112.8I123 I124 A130 T131I123-K127 HydrophobicContact CG2-CD 4.09Å; I123-K127 HydrophobicContact CG2-CG 4.48Å; I123-K127 WeakPolarHBondContact O-CB 3.42Å; I123-K127 WeakPolarHBondContact O-CG 3.46Å; I123-K127 PolarHBondContact O-N 3.06Å; I124-K127 PolarHBondContact O-N 3.17Å; K127-A130 PolarHBondContact O-N 3.04Å; K127-T131 WeakPolarHBondContact O-CB 3.44Å; K127-T131 PolarHBondContact O-N 3.49Å; K127-T131 PolarHBondContact O-OG1 3.35Å
128N94.8Very high95.6Very high103 Ų103112 Ų11255%0.55154%0.544SS*.Hα-helixtrans-67-41.7177.7-75.5-11.3000111.2I124 S125 S126 T131 K132I124-N128 WeakPolarHBondContact CG2-ND2 3.46Å; I124-N128 VanDerWaalsContact O-CB 3.26Å; I124-N128 WeakPolarHBondContact O-CB 3.29Å; I124-N128 PolarHBondContact O-N 2.88Å; I124-N128 PolarHBondContact O-ND2 3.48Å; S125-N128 PolarHBondContact O-N 3.39Å; S126-N128 PolarHBondContact O-N 3.01Å; N128-T131 PolarHBondContact O-N 2.96Å; N128-K132 WeakPolarHBondContact O-CB 3.45Å; N128-K132 PolarHBondContact O-N 3.41Å
129K95.5Very high95.5Very high135 Ų135109.6 Ų109.659%0.58754%0.539SS*.Hα-helixtrans-60.3-50174.9-174.8179.1176-176.40111.2S125 S126 T131 K132 E133S125-K129 WeakPolarHBondContact O-CB 3.16Å; S125-K129 PolarHBondContact O-N 3.18Å; S126-K129 PolarHBondContact O-N 3.14Å; K129-T131 VanDerWaalsContact C-N 3.33Å; K129-T131 PolarHBondContact O-N 3.2Å; K129-K132 PolarHBondContact O-N 3.36Å; K129-E133 WeakPolarHBondContact CE-OE1 3.34Å; K129-E133 WeakPolarHBondContact CG-OE1 3.41Å; K129-E133 WeakPolarHBondContact O-CG 3.45Å; K129-E133 PolarHBondContact O-N 3.4Å
130A94.1Very high95.4Very high55 Ų55109.1 Ų109.146%0.45554%0.537SS..Hα-helixtrans-61.4-40.6178.300000112.5S126 K127 R134S126-A130 WeakPolarHBondContact O-CB 3.32Å; S126-A130 PolarHBondContact O-N 3.38Å; K127-A130 PolarHBondContact O-N 3.04Å; A130-R134 WeakPolarHBondContact O-CB 3.4Å; A130-R134 PolarHBondContact O-N 2.96Å
131T95.2Very high95.3Very high84 Ų84105.8 Ų105.852%0.51553%0.529SS..Hα-helixtrans-63.4-45.4174.8-60.30000111.2K127 N128 K129 E133 R134 V135K127-T131 WeakPolarHBondContact O-CB 3.44Å; K127-T131 PolarHBondContact O-N 3.49Å; K127-T131 PolarHBondContact O-OG1 3.35Å; N128-T131 PolarHBondContact O-N 2.96Å; K129-T131 VanDerWaalsContact C-N 3.33Å; K129-T131 PolarHBondContact O-N 3.2Å; T131-E133 PolarHBondContact O-N 3.18Å; T131-R134 PolarHBondContact O-N 2.9Å; T131-V135 HydrophobicContact CG2-CG2 4.4Å; T131-V135 WeakPolarHBondContact O-CG2 3.48Å; T131-V135 PolarHBondContact O-N 2.91Å
132K95.9Very high95.2Very high156 Ų156104.4 Ų104.468%0.67852%0.522SS*.Hα-helixtrans-60.9-46.2178.3-173.2179178.8-177.90111.5N128 K129 R134 V135 E136N128-K132 WeakPolarHBondContact O-CB 3.45Å; N128-K132 PolarHBondContact O-N 3.41Å; K129-K132 PolarHBondContact O-N 3.36Å; K132-R134 VanDerWaalsContact C-N 3.33Å; K132-R134 PolarHBondContact O-N 3.27Å; K132-V135 PolarHBondContact O-N 3.39Å; K132-E136 WeakPolarHBondContact O-CB 3.45Å; K132-E136 PolarHBondContact O-N 2.87Å
133E96Very high95.2Very high91 Ų91100 Ų10043%0.42551%0.511SS..Hα-helixtrans-62.9-38.4176.3-71.6171.3-174.400112K129 T131 R137K129-E133 WeakPolarHBondContact CE-OE1 3.34Å; K129-E133 WeakPolarHBondContact CG-OE1 3.41Å; K129-E133 WeakPolarHBondContact O-CG 3.45Å; K129-E133 PolarHBondContact O-N 3.4Å; T131-E133 PolarHBondContact O-N 3.18Å; E133-R137 WeakPolarHBondContact O-CB 3.45Å; E133-R137 WeakPolarHBondContact O-CG 3.49Å; E133-R137 PolarHBondContact O-N 3Å
134R95.6Very high95.2Very high159 Ų15999.5 Ų99.560%0.651%0.508SS*.Hα-helixtrans-64.2-47.3174.2-177.9-180175.6110.30.4111.4A130 T131 K132 E136 R137 L138A130-R134 WeakPolarHBondContact O-CB 3.4Å; A130-R134 PolarHBondContact O-N 2.96Å; T131-R134 PolarHBondContact O-N 2.9Å; K132-R134 VanDerWaalsContact C-N 3.33Å; K132-R134 PolarHBondContact O-N 3.27Å; R134-E136 VanDerWaalsContact C-N 3.35Å; R134-R137 PolarHBondContact O-N 3.46Å; R134-L138 HydrophobicContact CG-CD1 4.05Å; R134-L138 VanDerWaalsContact O-CG 3.31Å; R134-L138 WeakPolarHBondContact O-CG 3.34Å; R134-L138 PolarHBondContact O-N 3.26Å
135V95.9Very high95.2Very high77 Ų77100.7 Ų100.747%0.46751%0.51SS..Hα-helixtrans-60.8-46.2177.8170.20000110.2T131 K132 R137 L138 C139T131-V135 HydrophobicContact CG2-CG2 4.4Å; T131-V135 WeakPolarHBondContact O-CG2 3.48Å; T131-V135 PolarHBondContact O-N 2.91Å; K132-V135 PolarHBondContact O-N 3.39Å; V135-R137 PolarHBondContact O-N 3.31Å; V135-L138 PolarHBondContact O-N 2.93Å; V135-C139 WeakPolarHBondContact O-CB 3.36Å; V135-C139 PolarHBondContact O-N 3.48Å; V135-C139 PolarHBondContact O-SG 2.94Å
136E96.4Very high95.2Very high93 Ų9399.7 Ų99.744%0.43550%0.497SS..Hα-helixtrans-59.9-44.5178.5-169.7-174.7155.700112K132 R134 C139 K140K132-E136 WeakPolarHBondContact O-CB 3.45Å; K132-E136 PolarHBondContact O-N 2.87Å; R134-E136 VanDerWaalsContact C-N 3.35Å; E136-C139 PolarHBondContact O-N 3.37Å; E136-K140 HydrophobicContact CG-CD 4.23Å; E136-K140 WeakPolarHBondContact O-CB 3.32Å; E136-K140 VanDerWaalsContact O-CG 3.3Å; E136-K140 WeakPolarHBondContact O-CG 3.29Å; E136-K140 PolarHBondContact O-N 3.45Å; E136-K140 WeakPolarHBondContact OE1-CE 3.37Å; E136-K140 IonicContact OE1-NZ 2.87Å; E136-K140 PolarHBondContact OE1-NZ 3.39Å
137R96.1Very high95.2Very high173 Ų173103.2 Ų103.265%0.65351%0.506SS*.Hα-helixtrans-61.7-43.6175.1-75.7-170.8-64.9163.7-3.1112.4E133 R134 V135 K140 S141E133-R137 WeakPolarHBondContact O-CB 3.45Å; E133-R137 WeakPolarHBondContact O-CG 3.49Å; E133-R137 PolarHBondContact O-N 3Å; R134-R137 PolarHBondContact O-N 3.46Å; V135-R137 PolarHBondContact O-N 3.31Å; R137-K140 PolarHBondContact O-N 3.03Å; R137-S141 WeakPolarHBondContact O-CB 3.5Å; R137-S141 PolarHBondContact O-N 3.41Å
138L95.3Very high95.2Very high101 Ų101106.4 Ų106.453%0.52952%0.515SS..Hα-helixtrans-66.5-42.4178.6-70.7173.1000111.7R134 V135 S141 K142R134-L138 HydrophobicContact CG-CD1 4.05Å; R134-L138 VanDerWaalsContact O-CG 3.31Å; R134-L138 WeakPolarHBondContact O-CG 3.34Å; R134-L138 PolarHBondContact O-N 3.26Å; V135-L138 PolarHBondContact O-N 2.93Å; L138-S141 PolarHBondContact O-N 3.45Å; L138-K142 WeakPolarHBondContact O-CB 3.45Å; L138-K142 PolarHBondContact O-N 3Å
139C94.3Very high95.2Very high75 Ų75105.8 Ų105.851%0.50751%0.511SS..Hα-helixtrans-63.1-44.4175.5-71.60000111.7V135 E136 K142 A143V135-C139 WeakPolarHBondContact O-CB 3.36Å; V135-C139 PolarHBondContact O-N 3.48Å; V135-C139 PolarHBondContact O-SG 2.94Å; E136-C139 PolarHBondContact O-N 3.37Å; C139-K142 PolarHBondContact O-N 3Å; C139-A143 WeakPolarHBondContact O-CB 3.49Å; C139-A143 PolarHBondContact O-N 3.37Å
140K96Very high95.2Very high119 Ų11999.5 Ų99.552%0.51749%0.485SS..Hα-helixtrans-59.8-46.2173.7-76.9172.7171.2172.30111.4E136 R137 A143 L144E136-K140 HydrophobicContact CG-CD 4.23Å; E136-K140 WeakPolarHBondContact O-CB 3.32Å; E136-K140 VanDerWaalsContact O-CG 3.3Å; E136-K140 WeakPolarHBondContact O-CG 3.29Å; E136-K140 PolarHBondContact O-N 3.45Å; E136-K140 WeakPolarHBondContact OE1-CE 3.37Å; E136-K140 IonicContact OE1-NZ 2.87Å; E136-K140 PolarHBondContact OE1-NZ 3.39Å; R137-K140 PolarHBondContact O-N 3.03Å; K140-A143 PolarHBondContact O-N 3.49Å; K140-L144 WeakPolarHBondContact O-CB 3.44Å; K140-L144 VanDerWaalsContact O-CG 3.28Å; K140-L144 WeakPolarHBondContact O-CG 3.22Å; K140-L144 PolarHBondContact O-N 3.26Å
141S94.5Very high95.3Very high49 Ų4998 Ų9834%0.34347%0.469SS..Hα-helixtrans-63.1-43.1177.8-171.30000112R137 L138 L144 F145R137-S141 WeakPolarHBondContact O-CB 3.5Å; R137-S141 PolarHBondContact O-N 3.41Å; L138-S141 PolarHBondContact O-N 3.45Å; S141-L144 PolarHBondContact O-N 2.9Å; S141-F145 WeakPolarHBondContact O-CD2 3.47Å; S141-F145 PolarHBondContact O-N 3.47Å; S141-F145 VanDerWaalsContact OG-CE2 3.23Å; S141-F145 WeakPolarHBondContact OG-CE2 3.39Å
142K94.3Very high95.4Very high113 Ų11396 Ų9649%0.49145%0.454SS..Hα-helixtrans-57.7-53.4175.6177.2-174.6168.8-178.50110.3L138 C139 L144 F145 E146L138-K142 WeakPolarHBondContact O-CB 3.45Å; L138-K142 PolarHBondContact O-N 3Å; C139-K142 PolarHBondContact O-N 3Å; K142-L144 VanDerWaalsContact C-N 3.32Å; K142-L144 PolarHBondContact O-N 2.86Å; K142-F145 PolarHBondContact O-N 2.94Å; K142-F145 VanDerWaalsContact O-N 3.15Å; K142-E146 WeakPolarHBondContact CE-OE1 3.45Å; K142-E146 WeakPolarHBondContact CE-OE2 3.48Å; K142-E146 HydrophobicContact CG-CG 4.36Å; K142-E146 IonicContact NZ-OE1 2.89Å; K142-E146 WeakPolarHBondContact O-CG 3.39Å; K142-E146 PolarHBondContact O-N 2.99Å
143A94.7Very high95.4Very high51 Ų5192.3 Ų92.342%0.42144%0.441SS..Hα-helixtrans-58.4-43.2179.900000112.1C139 K140 F145 E146 E147C139-A143 WeakPolarHBondContact O-CB 3.49Å; C139-A143 PolarHBondContact O-N 3.37Å; K140-A143 PolarHBondContact O-N 3.49Å; A143-F145 PolarHBondContact O-N 3.28Å; A143-E146 PolarHBondContact O-N 3.44Å; A143-E147 WeakPolarHBondContact O-CB 3.13Å; A143-E147 PolarHBondContact O-N 2.99Å
144L96Very high95.3Very high80 Ų8093 Ų9342%0.41944%0.439SS..Hα-helixtrans-62.7-40.2176.7-74.4172000112.8K140 S141 K142 R148K140-L144 WeakPolarHBondContact O-CB 3.44Å; K140-L144 VanDerWaalsContact O-CG 3.28Å; K140-L144 WeakPolarHBondContact O-CG 3.22Å; K140-L144 PolarHBondContact O-N 3.26Å; S141-L144 PolarHBondContact O-N 2.9Å; K142-L144 VanDerWaalsContact C-N 3.32Å; K142-L144 PolarHBondContact O-N 2.86Å; L144-R148 VanDerWaalsContact O-CB 3.25Å; L144-R148 WeakPolarHBondContact O-CB 3.4Å; L144-R148 VanDerWaalsContact O-CG 3.24Å; L144-R148 WeakPolarHBondContact O-CG 3.3Å; L144-R148 PolarHBondContact O-N 3.26Å
145F94.6Very high95.3Very high122 Ų12294.6 Ų94.654%0.53545%0.445SS..Hα-helixtrans-70.5-41.1176.7-77.6-58.2000111.8S141 K142 A143 L149S141-F145 WeakPolarHBondContact O-CD2 3.47Å; S141-F145 PolarHBondContact O-N 3.47Å; S141-F145 VanDerWaalsContact OG-CE2 3.23Å; S141-F145 WeakPolarHBondContact OG-CE2 3.39Å; K142-F145 PolarHBondContact O-N 2.94Å; K142-F145 VanDerWaalsContact O-N 3.15Å; A143-F145 PolarHBondContact O-N 3.28Å; F145-L149 HydrophobicContact CB-CD1 4.3Å; F145-L149 HydrophobicContact CD1-CD1 3.91Å; F145-L149 HydrophobicContact CD1-CG 4.41Å; F145-L149 WeakPolarHBondContact O-CB 3.46Å; F145-L149 WeakPolarHBondContact O-CG 3.39Å; F145-L149 PolarHBondContact O-N 3.38Å
146E95Very high95.2Very high55 Ų5593.4 Ų93.426%0.25744%0.436SS..Hα-helixtrans-60.1-46.4176-72.3179.3155.600111.2K142 A143 G150 L151K142-E146 WeakPolarHBondContact CE-OE1 3.45Å; K142-E146 WeakPolarHBondContact CE-OE2 3.48Å; K142-E146 HydrophobicContact CG-CG 4.36Å; K142-E146 IonicContact NZ-OE1 2.89Å; K142-E146 WeakPolarHBondContact O-CG 3.39Å; K142-E146 PolarHBondContact O-N 2.99Å; A143-E146 PolarHBondContact O-N 3.44Å; E146-G150 WeakPolarHBondContact O-CA 3.27Å; E146-G150 PolarHBondContact O-N 2.95Å; E146-L151 WeakPolarHBondContact CA-O 3.4Å; E146-L151 WeakPolarHBondContact CG-O 3.43Å; E146-L151 PolarHBondContact O-N 3.14Å
147E94.1Very high94.9Very high141 Ų14196.8 Ų96.866%0.65945%0.451SS*.Hα-helixtrans-66.1-52.2178.6-174.4-175.4-179.500112.1A143A143-E147 WeakPolarHBondContact O-CB 3.13Å; A143-E147 PolarHBondContact O-N 2.99Å
148R94.6Very high94.6Very high202 Ų20295.1 Ų95.176%0.76246%0.455SS*.Hα-helixtrans-74.9-35.7-172.9-68.7179.8179.7-167.1-0.3113.6L144L144-R148 VanDerWaalsContact O-CB 3.25Å; L144-R148 WeakPolarHBondContact O-CB 3.4Å; L144-R148 VanDerWaalsContact O-CG 3.24Å; L144-R148 WeakPolarHBondContact O-CG 3.3Å; L144-R148 PolarHBondContact O-N 3.26Å
149L95.3Very high94.3Very high90 Ų9097.7 Ų97.747%0.47147%0.465SS..Hα-helixtrans-88.3-16.3178.6-57.2177000111.6F145 L151 R222F145-L149 HydrophobicContact CB-CD1 4.3Å; F145-L149 HydrophobicContact CD1-CD1 3.91Å; F145-L149 HydrophobicContact CD1-CG 4.41Å; F145-L149 WeakPolarHBondContact O-CB 3.46Å; F145-L149 WeakPolarHBondContact O-CG 3.39Å; F145-L149 PolarHBondContact O-N 3.38Å; L149-L151 HydrophobicContact CB-CB 4.01Å; L149-L151 PolarHBondContact O-N 2.94Å; L149-R222 PolarHBondContact O-NH1 3.38Å
150G95.6Very high94.4Very high4 Ų496 Ų964%0.04145%0.449CS..THydrogen-bonded Turntrans54.542.3-166.500000110.4E146 F165 R166E146-G150 WeakPolarHBondContact O-CA 3.27Å; E146-G150 PolarHBondContact O-N 2.95Å; G150-F165 CarbonylContact O-C 3.54Å; G150-F165 WeakPolarHBondContact O-CA 3.37Å; G150-R166 PolarHBondContact O-N 3.45Å
151L96.6Very high94.4Very high23 Ų2393.8 Ų93.812%0.1244%0.443CS..EExtended strand (participates in β ladder)trans-132.1110.3-178.4173.659000109.6E146 L149 I153 F163 I164 F165 V218E146-L151 WeakPolarHBondContact CA-O 3.4Å; E146-L151 WeakPolarHBondContact CG-O 3.43Å; E146-L151 PolarHBondContact O-N 3.14Å; L149-L151 HydrophobicContact CB-CB 4.01Å; L149-L151 PolarHBondContact O-N 2.94Å; L151-I153 HydrophobicContact CD1-CG1 4.45Å; L151-I153 HydrophobicContact CD2-CD1 4.49Å; L151-I153 HydrophobicContact CG-CG1 4.2Å; L151-F163 HydrophobicContact CD1-CB 4.24Å; L151-F163 HydrophobicContact CD1-CD1 4.3Å; L151-I164 WeakPolarHBondContact CA-O 3.41Å; L151-F165 HydrophobicContact CB-CD1 4.34Å; L151-F165 HydrophobicContact CD1-CD1 3.75Å; L151-F165 HydrophobicContact CD1-CE1 3.69Å; L151-F165 HydrophobicContact CD1-CG 4.24Å; L151-F165 HydrophobicContact CD1-CZ 4.13Å; L151-F165 HydrophobicContact CD2-CE1 4.11Å; L151-F165 HydrophobicContact CG-CD1 4.47Å; L151-F165 HydrophobicContact CG-CE1 4.32Å; L151-V218 HydrophobicContact CD2-CG1 4.01Å
152E96.4Very high94.5Very high43 Ų4393.2 Ų93.220%0.20144%0.435CS..EExtended strand (participates in β ladder)trans-98.5131.8172.9178.8-168.6163.600109.3R154 I164E152-R154 HydrophobicContact CG-CG 4.05Å; E152-R154 WeakPolarHBondContact OE1-CD 3.44Å; E152-R154 VanDerWaalsContact OE1-CG 3.32Å; E152-R154 WeakPolarHBondContact OE1-CG 3.41Å; E152-R154 IonicContact OE1-CZ 2.72Å; E152-R154 IonicContact OE1-NE 3.88Å; E152-R154 PolarHBondContact OE1-NE 2.96Å; E152-R154 IonicContact OE1-NH1 3.73Å; E152-R154 PolarHBondContact OE1-NH1 3.38Å; E152-R154 IonicContact OE2-NH1 3.63Å; E152-I164 HydrophobicContact CB-CB 4.18Å; E152-I164 HydrophobicContact CB-CD1 4.44Å; E152-I164 HydrophobicContact CG-CD1 4.26Å; E152-I164 PolarHBondContact N-O 3.4Å; E152-I164 PolarHBondContact O-N 3.37Å
153I95.8Very high94.7Very high78 Ų7888.1 Ų88.140%0.441%0.412SS..EExtended strand (participates in β ladder)trans-116.9117.8177.4-52.9173.8000108.3L151 Q162 F163L151-I153 HydrophobicContact CD1-CG1 4.45Å; L151-I153 HydrophobicContact CD2-CD1 4.49Å; L151-I153 HydrophobicContact CG-CG1 4.2Å; I153-Q162 WeakPolarHBondContact CA-O 3.35Å; I153-F163 HydrophobicContact CD1-CD1 4.03Å; I153-F163 HydrophobicContact CD1-CE1 3.64Å; I153-F163 HydrophobicContact CG1-CD1 3.76Å; I153-F163 HydrophobicContact CG1-CE1 3.81Å; I153-F163 HydrophobicContact CG2-CD1 4.32Å; I153-F163 HydrophobicContact CG2-CE1 3.96Å; I153-F163 HydrophobicContact CG2-CZ 4.07Å
154R94.8Very high94.8Very high106 Ų10685.8 Ų85.840%0.439%0.393SS..EExtended strand (participates in β ladder)trans-118.4138.6-179-66.7-164.2-71.2-13612.1111.4E152 L161 Q162 I164E152-R154 HydrophobicContact CG-CG 4.05Å; E152-R154 WeakPolarHBondContact OE1-CD 3.44Å; E152-R154 VanDerWaalsContact OE1-CG 3.32Å; E152-R154 WeakPolarHBondContact OE1-CG 3.41Å; E152-R154 IonicContact OE1-CZ 2.72Å; E152-R154 IonicContact OE1-NE 3.88Å; E152-R154 PolarHBondContact OE1-NE 2.96Å; E152-R154 IonicContact OE1-NH1 3.73Å; E152-R154 PolarHBondContact OE1-NH1 3.38Å; E152-R154 IonicContact OE2-NH1 3.63Å; R154-L161 CarbonylContact O-C 3.56Å; R154-L161 WeakPolarHBondContact O-CA 3.49Å; R154-Q162 HydrophobicContact CB-CB 4.5Å; R154-Q162 PolarHBondContact N-O 3.19Å; R154-Q162 PolarHBondContact O-N 3.39Å; R154-I164 HydrophobicContact CG-CD1 4.35Å; R154-I164 VanDerWaalsContact NE-CD1 3.29Å
155R94.8Very high94.9Very high191 Ų19182.1 Ų82.172%0.72137%0.374SS*.EExtended strand (participates in β ladder)trans-81128.6163.8-172.5177.5175.2178.51.5108.9L161R155-L161 HydrophobicContact CB-CD2 4.14Å; R155-L161 HydrophobicContact CG-CD2 4.44Å
156I94.3Very high94.9Very high53 Ų5380 Ų8027%0.27236%0.362SS..  trans-115.1-176.1174.266.4169.6000109.8Q160 Q162 T180I156-Q160 HydrophobicContact CD1-CB 4.02Å; I156-Q160 HydrophobicContact CG1-CB 3.71Å; I156-Q160 WeakPolarHBondContact CG1-O 3.49Å; I156-Q160 PolarHBondContact N-O 2.97Å; I156-Q162 HydrophobicContact CG2-CB 3.99Å; I156-T180 HydrophobicContact CD1-CG2 3.6Å; I156-T180 HydrophobicContact CG1-CG2 4.47Å
157H90.3Very high94.9Very high164 Ų16481.8 Ų81.876%0.75937%0.37SS*.SBendtrans-58.1160.9177.8-49.894.1000111.9E159 Q160H157-E159 VanDerWaalsContact C-N 3.29Å; H157-E159 PolarHBondContact O-N 3.09Å; H157-Q160 PolarHBondContact O-N 3.08Å
158N89.5Confident94.9Very high138 Ų13875.2 Ų75.274%0.73834%0.34SS*.THydrogen-bonded Turntrans59.235.4177.3-53.5-15.6000114.3Q160N158-Q160 HydrophobicContact CB-CG 4.27Å; N158-Q160 VanDerWaalsContact O-CG 3.28Å; N158-Q160 WeakPolarHBondContact O-CG 3.14Å; N158-Q160 PolarHBondContact O-N 3.29Å
159E89.9Confident94.9Very high154 Ų15466.8 Ų66.872%0.7231%0.31SS*.THydrogen-bonded Turntrans58.821.8177.2-54.1-169.8160.400114.8H157H157-E159 VanDerWaalsContact C-N 3.29Å; H157-E159 PolarHBondContact O-N 3.09Å
160Q94.9Very high94.6Very high40 Ų4069.5 Ų69.519%0.18732%0.32CS..  trans-89.8151.3179.5-43.8-170.7-4.700111.6I156 H157 N158 T180 L181 T192I156-Q160 HydrophobicContact CD1-CB 4.02Å; I156-Q160 HydrophobicContact CG1-CB 3.71Å; I156-Q160 WeakPolarHBondContact CG1-O 3.49Å; I156-Q160 PolarHBondContact N-O 2.97Å; H157-Q160 PolarHBondContact O-N 3.08Å; N158-Q160 HydrophobicContact CB-CG 4.27Å; N158-Q160 VanDerWaalsContact O-CG 3.28Å; N158-Q160 WeakPolarHBondContact O-CG 3.14Å; N158-Q160 PolarHBondContact O-N 3.29Å; Q160-T180 HydrophobicContact CB-CG2 3.77Å; Q160-L181 WeakPolarHBondContact CA-O 3.19Å; Q160-T192 PolarHBondContact OE1-OG1 3.01Å
161L96.3Very high94.4Very high72 Ų7278.7 Ų78.738%0.37736%0.358SS..EExtended strand (participates in β ladder)trans-111.2124.2173.7-66.5177.4000109.5R154 R155 F163 T180 L181R154-L161 CarbonylContact O-C 3.56Å; R154-L161 WeakPolarHBondContact O-CA 3.49Å; R155-L161 HydrophobicContact CB-CD2 4.14Å; R155-L161 HydrophobicContact CG-CD2 4.44Å; L161-F163 HydrophobicContact CB-CD2 4.43Å; L161-F163 HydrophobicContact CB-CE2 3.67Å; L161-F163 HydrophobicContact CB-CZ 4.28Å; L161-F163 HydrophobicContact CD1-CZ 4.47Å; L161-T180 CarbonylContact O-C 3.6Å; L161-T180 WeakPolarHBondContact O-CA 3.29Å; L161-L181 PolarHBondContact N-O 2.93Å; L161-L181 PolarHBondContact O-N 3.21Å
162Q97.1Very high94.2Very high38 Ų3881.2 Ų81.218%0.17837%0.372CS..EExtended strand (participates in β ladder)trans-97.7127.5174-172.4176.666.100109.4I153 R154 I156 I164 V178I153-Q162 WeakPolarHBondContact CA-O 3.35Å; R154-Q162 HydrophobicContact CB-CB 4.5Å; R154-Q162 PolarHBondContact N-O 3.19Å; R154-Q162 PolarHBondContact O-N 3.39Å; I156-Q162 HydrophobicContact CG2-CB 3.99Å; Q162-I164 HydrophobicContact CG-CD1 4.36Å; Q162-I164 HydrophobicContact CG-CG1 4.03Å; Q162-V178 HydrophobicContact CG-CG1 3.36Å
163F97.7Very high94Very high5 Ų582 Ų822%0.02238%0.381CS..EExtended strand (participates in β ladder)trans-109.9122178.3-68.6-99.8000108.6L151 I153 L161 V178 F179 L181 F214L151-F163 HydrophobicContact CD1-CB 4.24Å; L151-F163 HydrophobicContact CD1-CD1 4.3Å; I153-F163 HydrophobicContact CD1-CD1 4.03Å; I153-F163 HydrophobicContact CD1-CE1 3.64Å; I153-F163 HydrophobicContact CG1-CD1 3.76Å; I153-F163 HydrophobicContact CG1-CE1 3.81Å; I153-F163 HydrophobicContact CG2-CD1 4.32Å; I153-F163 HydrophobicContact CG2-CE1 3.96Å; I153-F163 HydrophobicContact CG2-CZ 4.07Å; L161-F163 HydrophobicContact CB-CD2 4.43Å; L161-F163 HydrophobicContact CB-CE2 3.67Å; L161-F163 HydrophobicContact CB-CZ 4.28Å; L161-F163 HydrophobicContact CD1-CZ 4.47Å; F163-V178 VanDerWaalsContact O-CA 3.28Å; F163-V178 WeakPolarHBondContact O-CA 3.38Å; F163-F179 HydrophobicContact CB-CD1 3.66Å; F163-F179 HydrophobicContact CB-CE1 3.23Å; F163-F179 HydrophobicContact CB-CE2 4.29Å; F163-F179 HydrophobicContact CB-CG 4.36Å; F163-F179 HydrophobicContact CB-CZ 3.6Å; F163-F179 HydrophobicContact CD1-CE1 4.32Å; F163-F179 HydrophobicContact CD1-CZ 4.06Å; F163-F179 HydrophobicContact CD2-CD2 4.39Å; F163-F179 HydrophobicContact CD2-CE1 4.12Å; F163-F179 AromaticContact CD2-CE2 3.69Å; F163-F179 HydrophobicContact CD2-CE2 3.69Å; F163-F179 AromaticContact CD2-CZ 3.53Å; F163-F179 HydrophobicContact CD2-CZ 3.53Å; F163-F179 HydrophobicContact CE2-CE2 4.31Å; F163-F179 HydrophobicContact CE2-CZ 4.25Å; F163-F179 HydrophobicContact CG-CD1 4.42Å; F163-F179 AromaticContact CG-CE1 3.66Å; F163-F179 HydrophobicContact CG-CE1 3.66Å; F163-F179 HydrophobicContact CG-CE2 4.09Å; F163-F179 AromaticContact CG-CZ 3.45Å; F163-F179 HydrophobicContact CG-CZ 3.45Å; F163-F179 VanDerWaalsContact CG-CZ 3.45Å; F163-F179 PolarHBondContact N-O 3.46Å; F163-F179 PolarHBondContact O-N 3.28Å; F163-L181 HydrophobicContact CD2-CB 4.38Å; F163-L181 HydrophobicContact CE2-CB 4.01Å; F163-L181 HydrophobicContact CE2-CD2 4.15Å; F163-F214 AromaticContact CE1-CE1 4Å; F163-F214 HydrophobicContact CE1-CE1 4Å; F163-F214 AromaticContact CE1-CZ 3.7Å; F163-F214 HydrophobicContact CE1-CZ 3.7Å; F163-F214 HydrophobicContact CE2-CZ 4.24Å; F163-F214 HydrophobicContact CZ-CE1 4.07Å; F163-F214 HydrophobicContact CZ-CE2 4.5Å; F163-F214 AromaticContact CZ-CZ 3.45Å; F163-F214 HydrophobicContact CZ-CZ 3.45Å; F163-F214 VanDerWaalsContact CZ-CZ 3.45Å
164I97.5Very high93.9Very high3 Ų383.5 Ų83.52%0.01539%0.386CS..EExtended strand (participates in β ladder)trans-122.1109.2-171.8-57.3157000107.8L151 E152 R154 Q162 P176 V178L151-I164 WeakPolarHBondContact CA-O 3.41Å; E152-I164 HydrophobicContact CB-CB 4.18Å; E152-I164 HydrophobicContact CB-CD1 4.44Å; E152-I164 HydrophobicContact CG-CD1 4.26Å; E152-I164 PolarHBondContact N-O 3.4Å; E152-I164 PolarHBondContact O-N 3.37Å; R154-I164 HydrophobicContact CG-CD1 4.35Å; R154-I164 VanDerWaalsContact NE-CD1 3.29Å; Q162-I164 HydrophobicContact CG-CD1 4.36Å; Q162-I164 HydrophobicContact CG-CG1 4.03Å; I164-P176 HydrophobicContact CG2-CB 3.98Å; I164-V178 HydrophobicContact CB-CG2 4.29Å; I164-V178 HydrophobicContact CG1-CG1 3.95Å; I164-V178 HydrophobicContact CG1-CG2 3.95Å; I164-V178 HydrophobicContact CG2-CG2 4.05Å
165F97.4Very high93.9Very high3 Ų382.4 Ų82.41%0.01338%0.384CS..EExtended strand (participates in β ladder)trans-88.7129.9172.9-58.5-82.3000110.3G150 L151 I168 Y177 F179 V218 I221 R222 F225G150-F165 CarbonylContact O-C 3.54Å; G150-F165 WeakPolarHBondContact O-CA 3.37Å; L151-F165 HydrophobicContact CB-CD1 4.34Å; L151-F165 HydrophobicContact CD1-CD1 3.75Å; L151-F165 HydrophobicContact CD1-CE1 3.69Å; L151-F165 HydrophobicContact CD1-CG 4.24Å; L151-F165 HydrophobicContact CD1-CZ 4.13Å; L151-F165 HydrophobicContact CD2-CE1 4.11Å; L151-F165 HydrophobicContact CG-CD1 4.47Å; L151-F165 HydrophobicContact CG-CE1 4.32Å; F165-I168 HydrophobicContact CB-CD1 3.99Å; F165-I168 HydrophobicContact CB-CG1 3.77Å; F165-Y177 PolarHBondContact N-O 3.01Å; F165-Y177 PolarHBondContact O-N 3.46Å; F165-F179 AromaticContact CE2-CD1 3.78Å; F165-F179 HydrophobicContact CE2-CD1 3.78Å; F165-F179 AromaticContact CE2-CE1 3.59Å; F165-F179 HydrophobicContact CE2-CE1 3.59Å; F165-F179 HydrophobicContact CZ-CE1 4.03Å; F165-V218 HydrophobicContact CE1-CG1 3.97Å; F165-V218 HydrophobicContact CZ-CG1 3.71Å; F165-I221 HydrophobicContact CE2-CG2 3.76Å; F165-I221 HydrophobicContact CZ-CG2 4.32Å; F165-R222 HydrophobicContact CD1-CB 4.29Å; F165-R222 HydrophobicContact CD1-CG 4.08Å; F165-R222 HydrophobicContact CE1-CB 3.92Å; F165-R222 HydrophobicContact CE1-CG 4.18Å; F165-R222 HydrophobicContact CZ-CB 4.27Å; F165-F225 AromaticContact CD2-CD2 3.73Å; F165-F225 HydrophobicContact CD2-CD2 3.73Å; F165-F225 AromaticContact CD2-CE2 3.73Å; F165-F225 HydrophobicContact CD2-CE2 3.73Å; F165-F225 HydrophobicContact CE2-CD2 4.1Å; F165-F225 AromaticContact CE2-CE2 3.97Å; F165-F225 HydrophobicContact CE2-CE2 3.97Å
166R95.5Very high94Very high76 Ų7676.6 Ų76.629%0.28737%0.372SS..  trans-115.4173.8166.1-63.3-179.7-172.9-100.5-6.8108.9G150 I168 E174 R222G150-R166 PolarHBondContact O-N 3.45Å; R166-I168 PolarHBondContact O-N 2.9Å; R166-E174 IonicContact CZ-OE2 3.58Å; R166-E174 PolarHBondContact NH1-O 3.18Å; R166-E174 IonicContact NH1-OE2 2.64Å; R166-E174 PolarHBondContact NH1-OE2 3.43Å; R166-R222 PolarHBondContact O-NH2 2.95Å
167H94.9Very high94.1Very high93 Ų9374.3 Ų74.343%0.43136%0.36SS..SBendtrans56.438.9-176.3-46.9135.6000111.9P173 R222H167-P173 PolarHBondContact N-O 3.5Å; H167-R222 PolarHBondContact O-NH2 2.89Å
168I94.8Very high94.5Very high4 Ų467.7 Ų67.72%0.02133%0.33CS..  trans-96.7-49.4174.1-61.3-61.9000109.8F165 R166 Y177 R222 F225F165-I168 HydrophobicContact CB-CD1 3.99Å; F165-I168 HydrophobicContact CB-CG1 3.77Å; R166-I168 PolarHBondContact O-N 2.9Å; I168-Y177 HydrophobicContact CB-CD2 3.62Å; I168-Y177 HydrophobicContact CB-CE2 3.7Å; I168-Y177 HydrophobicContact CB-CG 4.28Å; I168-Y177 HydrophobicContact CG1-CD2 3.93Å; I168-Y177 HydrophobicContact CG1-CG 4.3Å; I168-Y177 HydrophobicContact CG2-CD1 4.38Å; I168-Y177 HydrophobicContact CG2-CD2 3.89Å; I168-Y177 HydrophobicContact CG2-CE1 4.28Å; I168-Y177 HydrophobicContact CG2-CE2 3.76Å; I168-Y177 HydrophobicContact CG2-CG 4.21Å; I168-R222 HydrophobicContact CD1-CG 3.67Å; I168-F225 HydrophobicContact CG2-CB 4.07Å
169D93Very high94.8Very high25 Ų2561.1 Ų61.113%0.13430%0.295CS..  trans-86.9119.4176.4-170.1-21.9000109.5K171 D172 P173 K175 Y177 S229D169-K171 PolarHBondContact O-N 2.91Å; D169-K171 WeakPolarHBondContact OD1-CB 3.47Å; D169-K171 PolarHBondContact OD1-N 3.11Å; D169-D172 CarbonylContact O-C 3.18Å; D169-D172 PolarHBondContact O-N 3.44Å; D169-P173 WeakPolarHBondContact O-CA 3.44Å; D169-K175 HydrophobicContact CB-CD 4.28Å; D169-K175 IonicContact OD2-NZ 3.49Å; D169-Y177 HydrophobicContact CB-CE2 4.28Å; D169-S229 VanDerWaalsContact CA-OG 3.3Å; D169-S229 WeakPolarHBondContact CA-OG 3.36Å; D169-S229 VanDerWaalsContact CB-OG 3.29Å; D169-S229 WeakPolarHBondContact CB-OG 3.45Å
170H90.2Very high95.2Very high146 Ų14653.9 Ų53.968%0.67626%0.262SS*.SBendtrans-69.1-22.5179.4-72-76.7000113.1Y230H170-Y230 AromaticContact CD2-CE1 3.94Å; H170-Y230 AromaticContact CD2-CZ 3.98Å; H170-Y230 PolarHBondContact CD2-OH 2.99Å; H170-Y230 AromaticContact NE2-CZ 3.96Å; H170-Y230 PolarHBondContact NE2-OH 3.42Å
171K91.4Very high95.2Very high197 Ų19752.5 Ų52.586%0.85726%0.256SS*.SBendtrans-83.8-31.9178.3-62.8178.4-179.3172.40111.6D169D169-K171 PolarHBondContact O-N 2.91Å; D169-K171 WeakPolarHBondContact OD1-CB 3.47Å; D169-K171 PolarHBondContact OD1-N 3.11Å
172D92.6Very high95.2Very high77 Ų7749.7 Ų49.741%0.41224%0.242SC..  trans-134.583.6177.2-174.74.8000110.7D169 E174 K175D169-D172 CarbonylContact O-C 3.18Å; D169-D172 PolarHBondContact O-N 3.44Å; D172-E174 PolarHBondContact O-N 3.16Å; D172-E174 VanDerWaalsContact O-N 3.15Å; D172-E174 PolarHBondContact OD1-N 3.01Å; D172-K175 HydrophobicContact CB-CB 4.13Å; D172-K175 VanDerWaalsContact O-CB 3.22Å; D172-K175 WeakPolarHBondContact O-CB 3.33Å; D172-K175 PolarHBondContact O-N 3.21Å; D172-K175 VanDerWaalsContact O-N 3.11Å
173P92.3Very high95Very high60 Ų6053.5 Ų53.539%0.3926%0.263SS..THydrogen-bonded Turntrans-64.5-20.4-174.3-20.332.2000113.9H167 D169H167-P173 PolarHBondContact N-O 3.5Å; D169-P173 WeakPolarHBondContact O-CA 3.44Å
174E93.4Very high94.7Very high108 Ų10854.8 Ų54.851%0.50527%0.269SS..THydrogen-bonded Turntrans-86-10.8179.1-70.6-57.1146.400113.5R166 D172 P176R166-E174 IonicContact CZ-OE2 3.58Å; R166-E174 PolarHBondContact NH1-O 3.18Å; R166-E174 IonicContact NH1-OE2 2.64Å; R166-E174 PolarHBondContact NH1-OE2 3.43Å; D172-E174 PolarHBondContact O-N 3.16Å; D172-E174 VanDerWaalsContact O-N 3.15Å; D172-E174 PolarHBondContact OD1-N 3.01Å; E174-P176 WeakPolarHBondContact O-CD 3.3Å
175K94.7Very high94.4Very high83 Ų8363.6 Ų63.636%0.36131%0.311SS..  trans-59120.4178.5-172178.2177.7-169.20110.9D169 D172 Y177D169-K175 HydrophobicContact CB-CD 4.28Å; D169-K175 IonicContact OD2-NZ 3.49Å; D172-K175 HydrophobicContact CB-CB 4.13Å; D172-K175 VanDerWaalsContact O-CB 3.22Å; D172-K175 WeakPolarHBondContact O-CB 3.33Å; D172-K175 PolarHBondContact O-N 3.21Å; D172-K175 VanDerWaalsContact O-N 3.11Å; K175-Y177 HydrophobicContact CB-CE2 4.33Å; K175-Y177 HydrophobicContact CD-CE2 3.97Å; K175-Y177 HydrophobicContact CG-CE2 4Å; K175-Y177 PolarHBondContact NZ-OH 3.28Å; K175-Y177 WeakPolarHBondContact O-CD2 3.49Å
176P96.1Very high94.1Very high70 Ų7070 Ų7046%0.45534%0.341SS..  trans-83.2133.8-177.832.1-33.7000111.8I164 E174 V178I164-P176 HydrophobicContact CG2-CB 3.98Å; E174-P176 WeakPolarHBondContact O-CD 3.3Å; P176-V178 HydrophobicContact CB-CG2 4.03Å
177Y97.1Very high93.8Very high5 Ų568.8 Ų68.82%0.0235%0.352CS..EExtended strand (participates in β ladder)trans-115.3117.7168.3-68.8-105.4000108F165 I168 D169 K175 P196 F225 S229F165-Y177 PolarHBondContact N-O 3.01Å; F165-Y177 PolarHBondContact O-N 3.46Å; I168-Y177 HydrophobicContact CB-CD2 3.62Å; I168-Y177 HydrophobicContact CB-CE2 3.7Å; I168-Y177 HydrophobicContact CB-CG 4.28Å; I168-Y177 HydrophobicContact CG1-CD2 3.93Å; I168-Y177 HydrophobicContact CG1-CG 4.3Å; I168-Y177 HydrophobicContact CG2-CD1 4.38Å; I168-Y177 HydrophobicContact CG2-CD2 3.89Å; I168-Y177 HydrophobicContact CG2-CE1 4.28Å; I168-Y177 HydrophobicContact CG2-CE2 3.76Å; I168-Y177 HydrophobicContact CG2-CG 4.21Å; D169-Y177 HydrophobicContact CB-CE2 4.28Å; K175-Y177 HydrophobicContact CB-CE2 4.33Å; K175-Y177 HydrophobicContact CD-CE2 3.97Å; K175-Y177 HydrophobicContact CG-CE2 4Å; K175-Y177 PolarHBondContact NZ-OH 3.28Å; K175-Y177 WeakPolarHBondContact O-CD2 3.49Å; Y177-P196 HydrophobicContact CD1-CG 3.45Å; Y177-P196 VanDerWaalsContact CD1-CG 3.45Å; Y177-P196 HydrophobicContact CE1-CG 3.6Å; Y177-F225 HydrophobicContact CD1-CB 3.85Å; Y177-F225 AromaticContact CD1-CD1 3.53Å; Y177-F225 HydrophobicContact CD1-CD1 3.53Å; Y177-F225 HydrophobicContact CD1-CE1 4.18Å; Y177-F225 AromaticContact CD1-CG 3.81Å; Y177-F225 HydrophobicContact CD1-CG 3.81Å; Y177-F225 HydrophobicContact CE1-CD1 4.48Å; Y177-F225 HydrophobicContact CG-CB 4.23Å; Y177-F225 HydrophobicContact CG-CD1 4.23Å; Y177-F225 HydrophobicContact CG-CG 4.17Å; Y177-S229 PolarHBondContact OH-OG 3.03Å
178V97.3Very high93.7Very high24 Ų2467.3 Ų67.315%0.14535%0.347CS..EExtended strand (participates in β ladder)trans-127.5137.3-161-172.50000111.2Q162 F163 I164 P176 C194 S195Q162-V178 HydrophobicContact CG-CG1 3.36Å; F163-V178 VanDerWaalsContact O-CA 3.28Å; F163-V178 WeakPolarHBondContact O-CA 3.38Å; I164-V178 HydrophobicContact CB-CG2 4.29Å; I164-V178 HydrophobicContact CG1-CG1 3.95Å; I164-V178 HydrophobicContact CG1-CG2 3.95Å; I164-V178 HydrophobicContact CG2-CG2 4.05Å; P176-V178 HydrophobicContact CB-CG2 4.03Å; V178-C194 CarbonylContact O-C 3.58Å; V178-C194 WeakPolarHBondContact O-CA 3.31Å; V178-S195 PolarHBondContact N-O 2.95Å; V178-S195 PolarHBondContact O-N 3.47Å
179F97.4Very high93.7Very high0 Ų069.8 Ų69.80%036%0.357CS..EExtended strand (participates in β ladder)trans-131.9155161.179.3-83.4000110.6F163 F165 L181 S193 C194 F217 I221F163-F179 HydrophobicContact CB-CD1 3.66Å; F163-F179 HydrophobicContact CB-CE1 3.23Å; F163-F179 HydrophobicContact CB-CE2 4.29Å; F163-F179 HydrophobicContact CB-CG 4.36Å; F163-F179 HydrophobicContact CB-CZ 3.6Å; F163-F179 HydrophobicContact CD1-CE1 4.32Å; F163-F179 HydrophobicContact CD1-CZ 4.06Å; F163-F179 HydrophobicContact CD2-CD2 4.39Å; F163-F179 HydrophobicContact CD2-CE1 4.12Å; F163-F179 AromaticContact CD2-CE2 3.69Å; F163-F179 HydrophobicContact CD2-CE2 3.69Å; F163-F179 AromaticContact CD2-CZ 3.53Å; F163-F179 HydrophobicContact CD2-CZ 3.53Å; F163-F179 HydrophobicContact CE2-CE2 4.31Å; F163-F179 HydrophobicContact CE2-CZ 4.25Å; F163-F179 HydrophobicContact CG-CD1 4.42Å; F163-F179 AromaticContact CG-CE1 3.66Å; F163-F179 HydrophobicContact CG-CE1 3.66Å; F163-F179 HydrophobicContact CG-CE2 4.09Å; F163-F179 AromaticContact CG-CZ 3.45Å; F163-F179 HydrophobicContact CG-CZ 3.45Å; F163-F179 VanDerWaalsContact CG-CZ 3.45Å; F163-F179 PolarHBondContact N-O 3.46Å; F163-F179 PolarHBondContact O-N 3.28Å; F165-F179 AromaticContact CE2-CD1 3.78Å; F165-F179 HydrophobicContact CE2-CD1 3.78Å; F165-F179 AromaticContact CE2-CE1 3.59Å; F165-F179 HydrophobicContact CE2-CE1 3.59Å; F165-F179 HydrophobicContact CZ-CE1 4.03Å; F179-L181 HydrophobicContact CE2-CB 4.11Å; F179-S193 CarbonylContact C-O 3.54Å; F179-S193 VanDerWaalsContact CA-O 3.29Å; F179-S193 WeakPolarHBondContact CA-O 3.5Å; F179-C194 HydrophobicContact CB-CB 4.31Å; F179-F217 AromaticContact CE2-CE1 3.76Å; F179-F217 HydrophobicContact CE2-CE1 3.76Å; F179-F217 HydrophobicContact CE2-CZ 4.26Å; F179-F217 HydrophobicContact CZ-CE1 4.01Å; F179-I221 HydrophobicContact CD1-CD1 4.14Å; F179-I221 HydrophobicContact CD1-CG2 3.88Å; F179-I221 HydrophobicContact CD2-CD1 4.26Å; F179-I221 HydrophobicContact CE1-CD1 3.9Å; F179-I221 HydrophobicContact CE1-CG2 4.09Å; F179-I221 HydrophobicContact CE2-CD1 4.05Å; F179-I221 HydrophobicContact CG-CD1 4.3Å; F179-I221 HydrophobicContact CZ-CD1 3.87Å
180T97Very high93.8Very high3 Ų372.3 Ų72.32%0.01837%0.368CS..EExtended strand (participates in β ladder)trans-119.2135.7179.5-52.50000109I156 Q160 L161 V191 T192 S193I156-T180 HydrophobicContact CD1-CG2 3.6Å; I156-T180 HydrophobicContact CG1-CG2 4.47Å; Q160-T180 HydrophobicContact CB-CG2 3.77Å; L161-T180 CarbonylContact O-C 3.6Å; L161-T180 WeakPolarHBondContact O-CA 3.29Å; T180-V191 WeakPolarHBondContact O-CA 3.33Å; T180-T192 WeakPolarHBondContact CB-OG1 3.47Å; T180-T192 VanDerWaalsContact CG2-OG1 3.3Å; T180-T192 WeakPolarHBondContact CG2-OG1 3.48Å; T180-T192 PolarHBondContact O-N 3.49Å; T180-T192 PolarHBondContact O-OG1 3.43Å; T180-S193 WeakPolarHBondContact CB-OG 3.36Å; T180-S193 PolarHBondContact N-O 3.21Å; T180-S193 PolarHBondContact OG1-OG 2.85Å
181L96.1Very high94.1Very high10 Ų1066.6 Ų66.65%0.05234%0.343CS..EExtended strand (participates in β ladder)trans-125.6133.6-175.2-169.375000109.8Q160 L161 F163 F179 Y189 E190 V191 F214 F217Q160-L181 WeakPolarHBondContact CA-O 3.19Å; L161-L181 PolarHBondContact N-O 2.93Å; L161-L181 PolarHBondContact O-N 3.21Å; F163-L181 HydrophobicContact CD2-CB 4.38Å; F163-L181 HydrophobicContact CE2-CB 4.01Å; F163-L181 HydrophobicContact CE2-CD2 4.15Å; F179-L181 HydrophobicContact CE2-CB 4.11Å; L181-Y189 HydrophobicContact CD2-CD1 3.91Å; L181-Y189 HydrophobicContact CG-CD1 4.49Å; L181-E190 CarbonylContact C-O 3.57Å; L181-E190 WeakPolarHBondContact CA-O 3.21Å; L181-V191 HydrophobicContact CD1-CG2 3.94Å; L181-F214 HydrophobicContact CD2-CE2 3.55Å; L181-F214 HydrophobicContact CD2-CZ 4.13Å; L181-F217 HydrophobicContact CD1-CE1 4.26Å; L181-F217 HydrophobicContact CD1-CZ 4.4Å
182S95Very high94.2Very high14 Ų1460 Ų6010%0.09832%0.319CS..EExtended strand (participates in β ladder)trans-119.5164.9167.255.80000110.4E190 T192S182-E190 PolarHBondContact N-O 2.93Å; S182-E190 PolarHBondContact O-N 2.87Å; S182-E190 PolarHBondContact OG-O 2.86Å; S182-T192 VanDerWaalsContact OG-CG2 3.25Å; S182-T192 WeakPolarHBondContact OG-CG2 3.27Å
183I93.8Very high94.3Very high118 Ų11859.2 Ų59.261%0.60532%0.32SS*.EExtended strand (participates in β ladder)trans-103.9124.4165.3-60.6177.6000105.8D188I183-D188 WeakPolarHBondContact CA-O 3.37Å
184N91.3Very high94.5Very high31 Ų3157.6 Ų57.617%0.16631%0.309CS..  trans-77.9177.8-179.7726.9000111.7Q186 G187 D188N184-Q186 VanDerWaalsContact CG-OE1 3.24Å; N184-Q186 PolarHBondContact ND2-OE1 3.21Å; N184-Q186 VanDerWaalsContact ND2-OE1 3.12Å; N184-Q186 PolarHBondContact O-N 2.99Å; N184-Q186 VanDerWaalsContact O-N 3.15Å; N184-Q186 WeakPolarHBondContact OD1-CA 3.27Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.43Å; N184-Q186 PolarHBondContact OD1-N 3.4Å; N184-Q186 PolarHBondContact OD1-OE1 3.49Å; N184-G187 PolarHBondContact O-N 2.89Å; N184-G187 PolarHBondContact OD1-N 3.32Å; N184-G187 VanDerWaalsContact OD1-N 3.08Å; N184-D188 PolarHBondContact N-O 2.87Å; N184-D188 WeakPolarHBondContact OD1-CB 3.37Å; N184-D188 PolarHBondContact OD1-N 2.92Å; N184-D188 PolarHBondContact OD1-O 2.9Å
185E90.9Very high94.5Very high189 Ų18956.1 Ų56.188%0.88331%0.311SS*.THydrogen-bonded Turntrans-61.2-23.8-180-62.8-173.6166.300113.5G187E185-G187 VanDerWaalsContact C-N 3.29Å
186Q91.4Very high94.5Very high137 Ų13754 Ų5464%0.6431%0.306SS*.THydrogen-bonded Turntrans-84.1-4.7177-62.17436.400112.7N184N184-Q186 VanDerWaalsContact CG-OE1 3.24Å; N184-Q186 PolarHBondContact ND2-OE1 3.21Å; N184-Q186 VanDerWaalsContact ND2-OE1 3.12Å; N184-Q186 PolarHBondContact O-N 2.99Å; N184-Q186 VanDerWaalsContact O-N 3.15Å; N184-Q186 WeakPolarHBondContact OD1-CA 3.27Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.43Å; N184-Q186 PolarHBondContact OD1-N 3.4Å; N184-Q186 PolarHBondContact OD1-OE1 3.49Å
187G89.9Confident94.4Very high51 Ų5155.6 Ų55.653%0.52632%0.316SS..SBendtrans85.38.9-177.400000114.5N184 E185N184-G187 PolarHBondContact O-N 2.89Å; N184-G187 PolarHBondContact OD1-N 3.32Å; N184-G187 VanDerWaalsContact OD1-N 3.08Å; E185-G187 VanDerWaalsContact C-N 3.29Å
188D92.9Very high94.3Very high62 Ų6256.1 Ų56.133%0.33232%0.319SS..  trans-90.8149.5-179.1-72.5-41.2000112.8I183 N184 E190 R209I183-D188 WeakPolarHBondContact CA-O 3.37Å; N184-D188 PolarHBondContact N-O 2.87Å; N184-D188 WeakPolarHBondContact OD1-CB 3.37Å; N184-D188 PolarHBondContact OD1-N 2.92Å; N184-D188 PolarHBondContact OD1-O 2.9Å; D188-E190 PolarHBondContact O-N 3.36Å; D188-R209 HydrophobicContact CB-CG 4.14Å
189Y94.4Very high94Very high55 Ų5563 Ų6322%0.21636%0.355CS..EExtended strand (participates in β ladder)trans-66.5127.1173.2-63.2-67.1000112L181 Q205 V208 R209 N212 F214L181-Y189 HydrophobicContact CD2-CD1 3.91Å; L181-Y189 HydrophobicContact CG-CD1 4.49Å; Y189-Q205 WeakPolarHBondContact O-CG 3.28Å; Y189-V208 HydrophobicContact CD2-CB 4.43Å; Y189-V208 HydrophobicContact CD2-CG1 3.94Å; Y189-V208 HydrophobicContact CD2-CG2 3.8Å; Y189-V208 HydrophobicContact CE2-CG2 3.98Å; Y189-V208 HydrophobicContact CG-CG1 4.19Å; Y189-V208 HydrophobicContact CG-CG2 4.49Å; Y189-R209 PolarHBondContact O-NE 3.3Å; Y189-R209 PolarHBondContact O-NH2 3.35Å; Y189-N212 WeakPolarHBondContact CE2-OD1 3.29Å; Y189-N212 PolarHBondContact OH-OD1 3.33Å; Y189-F214 HydrophobicContact CE1-CD2 4.14Å
190E94.9Very high93.8Very high79 Ų7964.8 Ų64.837%0.36937%0.367SS..EExtended strand (participates in β ladder)trans-130.9123.8178.7-176.3173.2-16400111.1L181 S182 D188L181-E190 CarbonylContact C-O 3.57Å; L181-E190 WeakPolarHBondContact CA-O 3.21Å; S182-E190 PolarHBondContact N-O 2.93Å; S182-E190 PolarHBondContact O-N 2.87Å; S182-E190 PolarHBondContact OG-O 2.86Å; D188-E190 PolarHBondContact O-N 3.36Å
191V95.4Very high93.6Very high25 Ų2566 Ų6615%0.15237%0.374CS..EExtended strand (participates in β ladder)trans-86.6111.4176.3179.70000108.5T180 L181 I201 F217T180-V191 WeakPolarHBondContact O-CA 3.33Å; L181-V191 HydrophobicContact CD1-CG2 3.94Å; V191-I201 HydrophobicContact CB-CG1 4.41Å; V191-I201 HydrophobicContact CG1-CD1 4.38Å; V191-I201 HydrophobicContact CG1-CG1 3.9Å; V191-I201 HydrophobicContact CG2-CD1 4.47Å; V191-I201 HydrophobicContact CG2-CG1 4.33Å; V191-F217 HydrophobicContact CG2-CZ 3.83Å
192T94.1Very high93.5Very high59 Ų5968.9 Ų68.936%0.36240%0.399SS..EExtended strand (participates in β ladder)trans-88.6-25.7-176.256.60000112.9Q160 T180 S182Q160-T192 PolarHBondContact OE1-OG1 3.01Å; T180-T192 WeakPolarHBondContact CB-OG1 3.47Å; T180-T192 VanDerWaalsContact CG2-OG1 3.3Å; T180-T192 WeakPolarHBondContact CG2-OG1 3.48Å; T180-T192 PolarHBondContact O-N 3.49Å; T180-T192 PolarHBondContact O-OG1 3.43Å; S182-T192 VanDerWaalsContact OG-CG2 3.25Å; S182-T192 WeakPolarHBondContact OG-CG2 3.27Å
193S95.1Very high93.5Very high60 Ų6073 Ų7342%0.4242%0.417SS..EExtended strand (participates in β ladder)trans-157.6149.1177.569.60000111F179 T180F179-S193 CarbonylContact C-O 3.54Å; F179-S193 VanDerWaalsContact CA-O 3.29Å; F179-S193 WeakPolarHBondContact CA-O 3.5Å; T180-S193 WeakPolarHBondContact CB-OG 3.36Å; T180-S193 PolarHBondContact N-O 3.21Å; T180-S193 PolarHBondContact OG1-OG 2.85Å
194C96.6Very high93.5Very high26 Ų2668.7 Ų68.718%0.17639%0.393CS..EExtended strand (participates in β ladder)trans-144.3125174.3-170.80000109V178 F179 P196 I201V178-C194 CarbonylContact O-C 3.58Å; V178-C194 WeakPolarHBondContact O-CA 3.31Å; F179-C194 HydrophobicContact CB-CB 4.31Å; C194-P196 PolarHBondContact SG-O 3.27Å; C194-I201 HydrophobicContact CB-CG1 4.45Å
195S94.3Very high93.7Very high78 Ų7869.2 Ų69.255%0.54540%0.395SS..EExtended strand (participates in β ladder)trans-140.4116.8-177.1178.10000110.3V178V178-S195 PolarHBondContact N-O 2.95Å; V178-S195 PolarHBondContact O-N 3.47Å
196P94.3Very high93.9Very high38 Ų3865 Ų6525%0.24738%0.378CS..SBendcis-64.9156.8-2.827.7-35.6000113Y177 C194 F225 L228Y177-P196 HydrophobicContact CD1-CG 3.45Å; Y177-P196 VanDerWaalsContact CD1-CG 3.45Å; Y177-P196 HydrophobicContact CE1-CG 3.6Å; C194-P196 PolarHBondContact SG-O 3.27Å; P196-F225 HydrophobicContact CG-CD1 4.19Å; P196-F225 HydrophobicContact CG-CE1 4.1Å; P196-F225 WeakPolarHBondContact O-CE1 3.18Å; P196-L228 HydrophobicContact CB-CD2 3.81Å; P196-L228 HydrophobicContact CG-CD2 3.48Å; P196-L228 VanDerWaalsContact CG-CD2 3.48Å
197P93.8Very high94Very high103 Ų10362.9 Ų62.967%0.66937%0.366SS*.  trans-59.9142.7177.7-23.634.2000112.4
198L93.8Very high94.2Very high16 Ų1660.6 Ų60.68%0.08434%0.342CS..  trans-121.5121.9176.5-71.8178.3000109.9C200 I201 I221 A224 F225 L228L198-C200 PolarHBondContact O-N 3.42Å; L198-I201 HydrophobicContact CB-CB 4.16Å; L198-I201 WeakPolarHBondContact O-CB 3.33Å; L198-I201 VanDerWaalsContact O-CG2 3.24Å; L198-I201 WeakPolarHBondContact O-CG2 3.34Å; L198-I201 PolarHBondContact O-N 2.94Å; L198-I221 HydrophobicContact CD1-CG2 4.16Å; L198-A224 HydrophobicContact CD1-CB 3.91Å; L198-A224 HydrophobicContact CD2-CB 3.95Å; L198-F225 HydrophobicContact CD1-CD1 3.69Å; L198-F225 HydrophobicContact CD1-CD2 4.36Å; L198-F225 HydrophobicContact CD1-CE1 3.5Å; L198-F225 VanDerWaalsContact CD1-CE1 3.5Å; L198-F225 HydrophobicContact CD1-CE2 4.2Å; L198-F225 HydrophobicContact CD1-CG 4.13Å; L198-F225 HydrophobicContact CD1-CZ 3.77Å; L198-F225 HydrophobicContact CD2-CD1 3.71Å; L198-F225 HydrophobicContact CD2-CE1 3.99Å; L198-F225 HydrophobicContact CG-CD1 3.8Å; L198-F225 HydrophobicContact CG-CE1 3.57Å; L198-F225 HydrophobicContact CG-CZ 4.27Å; L198-L228 HydrophobicContact CD2-CD2 4.2Å
199D92.1Very high94.3Very high168 Ų16861.6 Ų61.690%0.89834%0.341SS*.THydrogen-bonded Turntrans-60.7-30.6-179.5-58.6-32.3000112.6
200C92.9Very high94.3Very high38 Ų3865.6 Ų65.626%0.25736%0.362SS..THydrogen-bonded Turntrans-89.22.9-17854.40000114.9L198 A202 E203 F204L198-C200 PolarHBondContact O-N 3.42Å; C200-A202 VanDerWaalsContact C-N 3.35Å; C200-A202 PolarHBondContact O-N 3.4Å; C200-E203 PolarHBondContact O-N 3.39Å; C200-F204 HydrophobicContact CB-CE2 4.14Å; C200-F204 HydrophobicContact CB-CZ 4.07Å; C200-F204 WeakPolarHBondContact O-CG 3.32Å; C200-F204 PolarHBondContact O-N 2.84Å; C200-F204 VanDerWaalsContact O-N 3.15Å; C200-F204 WeakPolarHBondContact SG-CE2 3.06Å
201I93.6Very high94.2Very high30 Ų3066 Ų6615%0.15437%0.37CS..Hα-helixtrans-63.6-37.5-173.2-16364.5000113.1V191 C194 L198 F204 Q205 I221V191-I201 HydrophobicContact CB-CG1 4.41Å; V191-I201 HydrophobicContact CG1-CD1 4.38Å; V191-I201 HydrophobicContact CG1-CG1 3.9Å; V191-I201 HydrophobicContact CG2-CD1 4.47Å; V191-I201 HydrophobicContact CG2-CG1 4.33Å; C194-I201 HydrophobicContact CB-CG1 4.45Å; L198-I201 HydrophobicContact CB-CB 4.16Å; L198-I201 WeakPolarHBondContact O-CB 3.33Å; L198-I201 VanDerWaalsContact O-CG2 3.24Å; L198-I201 WeakPolarHBondContact O-CG2 3.34Å; L198-I201 PolarHBondContact O-N 2.94Å; I201-F204 PolarHBondContact O-N 3.34Å; I201-Q205 PolarHBondContact O-N 2.88Å; I201-I221 HydrophobicContact CD1-CD1 3.74Å; I201-I221 HydrophobicContact CD1-CG1 3.92Å
202A93.4Very high94Very high70 Ų7070.2 Ų70.258%0.57939%0.392SS*.Hα-helixtrans-67.2-37.4179.300000112C200 Q205 L206C200-A202 VanDerWaalsContact C-N 3.35Å; C200-A202 PolarHBondContact O-N 3.4Å; A202-Q205 PolarHBondContact O-N 2.85Å; A202-L206 PolarHBondContact O-N 3.46Å
203E94.6Very high94.1Very high101 Ų10171.1 Ų71.147%0.47240%0.395SS..Hα-helixtrans-65.9-41.9175.6-168.7-165.9151.900111.1C200 Q205 L206 K207C200-E203 PolarHBondContact O-N 3.39Å; E203-Q205 VanDerWaalsContact C-N 3.35Å; E203-L206 PolarHBondContact O-N 2.8Å; E203-K207 HydrophobicContact CG-CD 4.48Å; E203-K207 WeakPolarHBondContact O-CG 3.44Å; E203-K207 PolarHBondContact O-N 2.91Å; E203-K207 WeakPolarHBondContact OE1-CE 3.02Å; E203-K207 IonicContact OE1-NZ 2.63Å; E203-K207 PolarHBondContact OE1-NZ 3.44Å
204F94.6Very high94Very high27 Ų2771.4 Ų71.412%0.11839%0.388CS..Hα-helixtrans-64.8-38.8175.5-63.7-23.9000112.2C200 I201 K207 V208 F217 N220 I221 A224C200-F204 HydrophobicContact CB-CE2 4.14Å; C200-F204 HydrophobicContact CB-CZ 4.07Å; C200-F204 WeakPolarHBondContact O-CG 3.32Å; C200-F204 PolarHBondContact O-N 2.84Å; C200-F204 VanDerWaalsContact O-N 3.15Å; C200-F204 WeakPolarHBondContact SG-CE2 3.06Å; I201-F204 PolarHBondContact O-N 3.34Å; F204-K207 PolarHBondContact O-N 2.88Å; F204-V208 PolarHBondContact O-N 3.36Å; F204-F217 HydrophobicContact CB-CD2 3.78Å; F204-F217 HydrophobicContact CB-CE2 3.73Å; F204-F217 WeakPolarHBondContact O-CD2 3.27Å; F204-N220 HydrophobicContact CD1-CB 4.21Å; F204-N220 HydrophobicContact CD2-CB 4.42Å; F204-N220 HydrophobicContact CE1-CB 3.89Å; F204-N220 HydrophobicContact CE2-CB 4.09Å; F204-N220 HydrophobicContact CG-CB 4.48Å; F204-N220 HydrophobicContact CZ-CB 3.82Å; F204-I221 HydrophobicContact CD2-CG1 3.83Å; F204-I221 HydrophobicContact CE2-CG1 4.46Å; F204-A224 HydrophobicContact CE2-CB 3.99Å
205Q94.5Very high93.9Very high41 Ų4174.6 Ų74.619%0.19241%0.411CS..Hα-helixtrans-61.6-45174.6-177.9177.7-64.600111.6Y189 I201 A202 E203 V208 R209Y189-Q205 WeakPolarHBondContact O-CG 3.28Å; I201-Q205 PolarHBondContact O-N 2.88Å; A202-Q205 PolarHBondContact O-N 2.85Å; E203-Q205 VanDerWaalsContact C-N 3.35Å; Q205-V208 VanDerWaalsContact O-CG1 3.23Å; Q205-V208 WeakPolarHBondContact O-CG1 3.25Å; Q205-V208 PolarHBondContact O-N 2.85Å; Q205-R209 VanDerWaalsContact NE2-NH2 3.17Å; Q205-R209 WeakPolarHBondContact O-CG 3.48Å; Q205-R209 PolarHBondContact O-N 3.2Å
206L94.4Very high94Very high100 Ų10072.6 Ų72.652%0.52440%0.399SS..Hα-helixtrans-60.9-48.2176.8-176.566000111A202 E203 V208 R209 E210A202-L206 PolarHBondContact O-N 3.46Å; E203-L206 PolarHBondContact O-N 2.8Å; L206-V208 VanDerWaalsContact C-N 3.33Å; L206-V208 PolarHBondContact O-N 2.84Å; L206-R209 WeakPolarHBondContact O-CB 3.35Å; L206-R209 PolarHBondContact O-N 3.39Å; L206-R209 VanDerWaalsContact O-N 3.15Å; L206-E210 WeakPolarHBondContact O-CG 3.3Å; L206-E210 PolarHBondContact O-N 3.03Å
207K94.4Very high94.1Very high93 Ų9371 Ų7140%0.40439%0.388SS..Hα-helixtrans-59.8-38.7178.9-77.9175.7171.2169.30113.3E203 F204 E210 T211E203-K207 HydrophobicContact CG-CD 4.48Å; E203-K207 WeakPolarHBondContact O-CG 3.44Å; E203-K207 PolarHBondContact O-N 2.91Å; E203-K207 WeakPolarHBondContact OE1-CE 3.02Å; E203-K207 IonicContact OE1-NZ 2.63Å; E203-K207 PolarHBondContact OE1-NZ 3.44Å; F204-K207 PolarHBondContact O-N 2.88Å; K207-E210 PolarHBondContact O-N 2.91Å; K207-T211 WeakPolarHBondContact O-CB 3.44Å; K207-T211 WeakPolarHBondContact O-CG2 3.06Å; K207-T211 PolarHBondContact O-N 2.87Å; K207-T211 PolarHBondContact O-OG1 3.17Å
208V94.6Very high94.2Very high3 Ų367 Ų672%0.01836%0.362CS..Hα-helixtrans-72-31.5178.9730000112Y189 F204 Q205 L206 N212 F217Y189-V208 HydrophobicContact CD2-CB 4.43Å; Y189-V208 HydrophobicContact CD2-CG1 3.94Å; Y189-V208 HydrophobicContact CD2-CG2 3.8Å; Y189-V208 HydrophobicContact CE2-CG2 3.98Å; Y189-V208 HydrophobicContact CG-CG1 4.19Å; Y189-V208 HydrophobicContact CG-CG2 4.49Å; F204-V208 PolarHBondContact O-N 3.36Å; Q205-V208 VanDerWaalsContact O-CG1 3.23Å; Q205-V208 WeakPolarHBondContact O-CG1 3.25Å; Q205-V208 PolarHBondContact O-N 2.85Å; L206-V208 VanDerWaalsContact C-N 3.33Å; L206-V208 PolarHBondContact O-N 2.84Å; V208-N212 WeakPolarHBondContact O-CA 3.48Å; V208-N212 PolarHBondContact O-N 2.87Å; V208-F217 HydrophobicContact CB-CB 3.87Å; V208-F217 HydrophobicContact CB-CD2 3.79Å; V208-F217 HydrophobicContact CB-CG 3.87Å; V208-F217 HydrophobicContact CG1-CD2 3.8Å; V208-F217 HydrophobicContact CG1-CE2 4.02Å; V208-F217 HydrophobicContact CG1-CG 4.11Å; V208-F217 HydrophobicContact CG1-CZ 4.49Å; V208-F217 HydrophobicContact CG2-CB 3.72Å; V208-F217 HydrophobicContact CG2-CD1 4.45Å; V208-F217 HydrophobicContact CG2-CD2 4.4Å; V208-F217 HydrophobicContact CG2-CG 3.96Å
209R94Very high94.3Very high83 Ų8368.4 Ų68.431%0.31338%0.376SS..Hα-helixtrans-66.8-40.2172.2-68.7178.3-175.2-159.8-3.9111.8D188 Y189 Q205 L206D188-R209 HydrophobicContact CB-CG 4.14Å; Y189-R209 PolarHBondContact O-NE 3.3Å; Y189-R209 PolarHBondContact O-NH2 3.35Å; Q205-R209 VanDerWaalsContact NE2-NH2 3.17Å; Q205-R209 WeakPolarHBondContact O-CG 3.48Å; Q205-R209 PolarHBondContact O-N 3.2Å; L206-R209 WeakPolarHBondContact O-CB 3.35Å; L206-R209 PolarHBondContact O-N 3.39Å; L206-R209 VanDerWaalsContact O-N 3.15Å
210E94.2Very high94.5Very high139 Ų13963.1 Ų63.165%0.6535%0.347SS*.Hα-helixtrans-72.1-42.2179-69.2172.9171.900113.1L206 K207L206-E210 WeakPolarHBondContact O-CG 3.3Å; L206-E210 PolarHBondContact O-N 3.03Å; K207-E210 PolarHBondContact O-N 2.91Å
211T93.7Very high94.7Very high89 Ų8961.3 Ų61.355%0.54634%0.335SS..Hα-helixtrans-100.2-15.4-170.463.10000114.3K207 N213K207-T211 WeakPolarHBondContact O-CB 3.44Å; K207-T211 WeakPolarHBondContact O-CG2 3.06Å; K207-T211 PolarHBondContact O-N 2.87Å; K207-T211 PolarHBondContact O-OG1 3.17Å; T211-N213 PolarHBondContact O-N 3.42Å; T211-N213 PolarHBondContact OG1-N 3.36Å
212N91.9Very high94.8Very high113 Ų11363.1 Ų63.160%0.60434%0.34SS*.  trans49.622.6-168.2-160.919.1000114Y189 V208 F214Y189-N212 WeakPolarHBondContact CE2-OD1 3.29Å; Y189-N212 PolarHBondContact OH-OD1 3.33Å; V208-N212 WeakPolarHBondContact O-CA 3.48Å; V208-N212 PolarHBondContact O-N 2.87Å; N212-F214 PolarHBondContact O-N 2.92Å; N212-F214 VanDerWaalsContact O-N 3.16Å
213N94.6Very high94.9Very high78 Ų7866.5 Ų66.542%0.41734%0.342SS..  trans-9178.8-178-168-20.8000110.7T211 S215 A216 F217T211-N213 PolarHBondContact O-N 3.42Å; T211-N213 PolarHBondContact OG1-N 3.36Å; N213-S215 VanDerWaalsContact C-N 3.25Å; N213-S215 PolarHBondContact O-N 3.45Å; N213-A216 HydrophobicContact CB-CB 4.13Å; N213-A216 VanDerWaalsContact CG-CB 3.48Å; N213-A216 PolarHBondContact O-N 2.87Å; N213-A216 WeakPolarHBondContact OD1-CB 3.44Å; N213-A216 PolarHBondContact OD1-N 3.47Å; N213-F217 PolarHBondContact O-N 2.74Å; N213-F217 VanDerWaalsContact O-N 3.09Å
214F94.3Very high95Very high65 Ų6562.5 Ų62.529%0.28533%0.326SS..Hα-helixtrans-59.9-35-178.4-169.7-105.8000113.1F163 L181 Y189 N212 F217 V218F163-F214 AromaticContact CE1-CE1 4Å; F163-F214 HydrophobicContact CE1-CE1 4Å; F163-F214 AromaticContact CE1-CZ 3.7Å; F163-F214 HydrophobicContact CE1-CZ 3.7Å; F163-F214 HydrophobicContact CE2-CZ 4.24Å; F163-F214 HydrophobicContact CZ-CE1 4.07Å; F163-F214 HydrophobicContact CZ-CE2 4.5Å; F163-F214 AromaticContact CZ-CZ 3.45Å; F163-F214 HydrophobicContact CZ-CZ 3.45Å; F163-F214 VanDerWaalsContact CZ-CZ 3.45Å; L181-F214 HydrophobicContact CD2-CE2 3.55Å; L181-F214 HydrophobicContact CD2-CZ 4.13Å; Y189-F214 HydrophobicContact CE1-CD2 4.14Å; N212-F214 PolarHBondContact O-N 2.92Å; N212-F214 VanDerWaalsContact O-N 3.16Å; F214-F217 HydrophobicContact CD2-CD1 4.11Å; F214-F217 AromaticContact CE2-CD1 3.88Å; F214-F217 HydrophobicContact CE2-CD1 3.88Å; F214-F217 HydrophobicContact CE2-CE1 4.26Å; F214-F217 WeakPolarHBondContact O-CB 3.33Å; F214-F217 PolarHBondContact O-N 2.82Å; F214-V218 HydrophobicContact CD1-CG2 4.01Å; F214-V218 HydrophobicContact CE1-CG2 3.46Å; F214-V218 VanDerWaalsContact CE1-CG2 3.46Å; F214-V218 HydrophobicContact CE2-CG2 4.09Å; F214-V218 HydrophobicContact CZ-CG2 3.48Å; F214-V218 VanDerWaalsContact CZ-CG2 3.48Å; F214-V218 WeakPolarHBondContact O-CG2 3.43Å; F214-V218 PolarHBondContact O-N 2.81Å
215S94.8Very high95Very high94 Ų9461.2 Ų61.266%0.65732%0.32SS*.Hα-helixtrans-62.8-47.4177.6-176.40000111.7N213 F217 V218 A219N213-S215 VanDerWaalsContact C-N 3.25Å; N213-S215 PolarHBondContact O-N 3.45Å; S215-F217 VanDerWaalsContact C-N 3.31Å; S215-F217 PolarHBondContact O-N 2.82Å; S215-V218 PolarHBondContact O-N 2.66Å; S215-A219 WeakPolarHBondContact O-CB 3.16Å; S215-A219 PolarHBondContact O-N 2.86Å
216A95.3Very high95Very high35 Ų3561 Ų6129%0.28932%0.322SS..Hα-helixtrans-63.8-38.3176.800000111.9N213 A219 N220N213-A216 HydrophobicContact CB-CB 4.13Å; N213-A216 VanDerWaalsContact CG-CB 3.48Å; N213-A216 PolarHBondContact O-N 2.87Å; N213-A216 WeakPolarHBondContact OD1-CB 3.44Å; N213-A216 PolarHBondContact OD1-N 3.47Å; A216-A219 PolarHBondContact O-N 3.43Å; A216-N220 VanDerWaalsContact O-CB 3.3Å; A216-N220 WeakPolarHBondContact O-CB 3.29Å; A216-N220 PolarHBondContact O-N 3.41Å; A216-N220 PolarHBondContact O-ND2 2.87Å
217F96.4Very high94.9Very high6 Ų659 Ų593%0.02632%0.32CS..Hα-helixtrans-58.3-55175.8174.2-108000112.3F179 L181 V191 F204 V208 N213 F214 S215 A219 N220 I221F179-F217 AromaticContact CE2-CE1 3.76Å; F179-F217 HydrophobicContact CE2-CE1 3.76Å; F179-F217 HydrophobicContact CE2-CZ 4.26Å; F179-F217 HydrophobicContact CZ-CE1 4.01Å; L181-F217 HydrophobicContact CD1-CE1 4.26Å; L181-F217 HydrophobicContact CD1-CZ 4.4Å; V191-F217 HydrophobicContact CG2-CZ 3.83Å; F204-F217 HydrophobicContact CB-CD2 3.78Å; F204-F217 HydrophobicContact CB-CE2 3.73Å; F204-F217 WeakPolarHBondContact O-CD2 3.27Å; V208-F217 HydrophobicContact CB-CB 3.87Å; V208-F217 HydrophobicContact CB-CD2 3.79Å; V208-F217 HydrophobicContact CB-CG 3.87Å; V208-F217 HydrophobicContact CG1-CD2 3.8Å; V208-F217 HydrophobicContact CG1-CE2 4.02Å; V208-F217 HydrophobicContact CG1-CG 4.11Å; V208-F217 HydrophobicContact CG1-CZ 4.49Å; V208-F217 HydrophobicContact CG2-CB 3.72Å; V208-F217 HydrophobicContact CG2-CD1 4.45Å; V208-F217 HydrophobicContact CG2-CD2 4.4Å; V208-F217 HydrophobicContact CG2-CG 3.96Å; N213-F217 PolarHBondContact O-N 2.74Å; N213-F217 VanDerWaalsContact O-N 3.09Å; F214-F217 HydrophobicContact CD2-CD1 4.11Å; F214-F217 AromaticContact CE2-CD1 3.88Å; F214-F217 HydrophobicContact CE2-CD1 3.88Å; F214-F217 HydrophobicContact CE2-CE1 4.26Å; F214-F217 WeakPolarHBondContact O-CB 3.33Å; F214-F217 PolarHBondContact O-N 2.82Å; S215-F217 VanDerWaalsContact C-N 3.31Å; S215-F217 PolarHBondContact O-N 2.82Å; F217-A219 VanDerWaalsContact C-N 3.33Å; F217-A219 PolarHBondContact O-N 3.27Å; F217-N220 PolarHBondContact O-N 2.88Å; F217-I221 HydrophobicContact CD1-CD1 4.07Å; F217-I221 HydrophobicContact CD2-CD1 4.16Å; F217-I221 HydrophobicContact CE1-CD1 3.57Å; F217-I221 HydrophobicContact CE2-CD1 3.65Å; F217-I221 HydrophobicContact CE2-CG1 4.44Å; F217-I221 HydrophobicContact CG-CD1 4.35Å; F217-I221 HydrophobicContact CZ-CD1 3.34Å; F217-I221 WeakPolarHBondContact O-CG1 3.39Å; F217-I221 PolarHBondContact O-N 3.49Å
218V96.2Very high94.8Very high19 Ų1957.4 Ų57.412%0.11532%0.316CS..Hα-helixtrans-61.6-41.1179176.70000111.3L151 F165 F214 S215 I221 R222L151-V218 HydrophobicContact CD2-CG1 4.01Å; F165-V218 HydrophobicContact CE1-CG1 3.97Å; F165-V218 HydrophobicContact CZ-CG1 3.71Å; F214-V218 HydrophobicContact CD1-CG2 4.01Å; F214-V218 HydrophobicContact CE1-CG2 3.46Å; F214-V218 VanDerWaalsContact CE1-CG2 3.46Å; F214-V218 HydrophobicContact CE2-CG2 4.09Å; F214-V218 HydrophobicContact CZ-CG2 3.48Å; F214-V218 VanDerWaalsContact CZ-CG2 3.48Å; F214-V218 WeakPolarHBondContact O-CG2 3.43Å; F214-V218 PolarHBondContact O-N 2.81Å; S215-V218 PolarHBondContact O-N 2.66Å; V218-I221 PolarHBondContact O-N 2.81Å; V218-R222 PolarHBondContact O-N 3.38Å
219A96.2Very high94.5Very high45 Ų4558.3 Ų58.337%0.37232%0.322SS..Hα-helixtrans-65.6-40.3178.500000112.9S215 A216 F217 R222 K223S215-A219 WeakPolarHBondContact O-CB 3.16Å; S215-A219 PolarHBondContact O-N 2.86Å; A216-A219 PolarHBondContact O-N 3.43Å; F217-A219 VanDerWaalsContact C-N 3.33Å; F217-A219 PolarHBondContact O-N 3.27Å; A219-R222 PolarHBondContact O-N 3.31Å; A219-K223 WeakPolarHBondContact O-CG 3.4Å; A219-K223 PolarHBondContact O-N 2.72Å
220N96.1Very high93.7Very high56 Ų5661.9 Ų61.930%0.29934%0.337SS..Hα-helixtrans-68.8-38.3177.5-73.7-31.2000111.9F204 A216 F217 K223 A224F204-N220 HydrophobicContact CD1-CB 4.21Å; F204-N220 HydrophobicContact CD2-CB 4.42Å; F204-N220 HydrophobicContact CE1-CB 3.89Å; F204-N220 HydrophobicContact CE2-CB 4.09Å; F204-N220 HydrophobicContact CG-CB 4.48Å; F204-N220 HydrophobicContact CZ-CB 3.82Å; A216-N220 VanDerWaalsContact O-CB 3.3Å; A216-N220 WeakPolarHBondContact O-CB 3.29Å; A216-N220 PolarHBondContact O-N 3.41Å; A216-N220 PolarHBondContact O-ND2 2.87Å; F217-N220 PolarHBondContact O-N 2.88Å; N220-K223 PolarHBondContact O-N 2.9Å; N220-A224 PolarHBondContact O-N 2.9Å
221I96.1Very high92Very high0 Ų066 Ų660%035%0.352CS..Hα-helixtrans-60-46.3171.3-70.8172.8000110.6F165 F179 L198 I201 F204 F217 V218 K223 A224 F225F165-I221 HydrophobicContact CE2-CG2 3.76Å; F165-I221 HydrophobicContact CZ-CG2 4.32Å; F179-I221 HydrophobicContact CD1-CD1 4.14Å; F179-I221 HydrophobicContact CD1-CG2 3.88Å; F179-I221 HydrophobicContact CD2-CD1 4.26Å; F179-I221 HydrophobicContact CE1-CD1 3.9Å; F179-I221 HydrophobicContact CE1-CG2 4.09Å; F179-I221 HydrophobicContact CE2-CD1 4.05Å; F179-I221 HydrophobicContact CG-CD1 4.3Å; F179-I221 HydrophobicContact CZ-CD1 3.87Å; L198-I221 HydrophobicContact CD1-CG2 4.16Å; I201-I221 HydrophobicContact CD1-CD1 3.74Å; I201-I221 HydrophobicContact CD1-CG1 3.92Å; F204-I221 HydrophobicContact CD2-CG1 3.83Å; F204-I221 HydrophobicContact CE2-CG1 4.46Å; F217-I221 HydrophobicContact CD1-CD1 4.07Å; F217-I221 HydrophobicContact CD2-CD1 4.16Å; F217-I221 HydrophobicContact CE1-CD1 3.57Å; F217-I221 HydrophobicContact CE2-CD1 3.65Å; F217-I221 HydrophobicContact CE2-CG1 4.44Å; F217-I221 HydrophobicContact CG-CD1 4.35Å; F217-I221 HydrophobicContact CZ-CD1 3.34Å; F217-I221 WeakPolarHBondContact O-CG1 3.39Å; F217-I221 PolarHBondContact O-N 3.49Å; V218-I221 PolarHBondContact O-N 2.81Å; I221-K223 VanDerWaalsContact C-N 3.32Å; I221-K223 PolarHBondContact O-N 3.47Å; I221-A224 PolarHBondContact O-N 3.41Å; I221-A224 VanDerWaalsContact O-N 3.13Å; I221-F225 HydrophobicContact CG2-CD2 3.65Å; I221-F225 HydrophobicContact CG2-CE2 3.37Å; I221-F225 HydrophobicContact CG2-CZ 4.2Å; I221-F225 PolarHBondContact O-N 2.84Å
222R96.5Very high91.9Very high68 Ų6864.9 Ų64.926%0.25734%0.343SS..Hα-helixtrans-56.9-46.3176.7-168.2-176.4179.292.16.2111.4L149 F165 R166 H167 I168 V218 A219 A224 F225 T226L149-R222 PolarHBondContact O-NH1 3.38Å; F165-R222 HydrophobicContact CD1-CB 4.29Å; F165-R222 HydrophobicContact CD1-CG 4.08Å; F165-R222 HydrophobicContact CE1-CB 3.92Å; F165-R222 HydrophobicContact CE1-CG 4.18Å; F165-R222 HydrophobicContact CZ-CB 4.27Å; R166-R222 PolarHBondContact O-NH2 2.95Å; H167-R222 PolarHBondContact O-NH2 2.89Å; I168-R222 HydrophobicContact CD1-CG 3.67Å; V218-R222 PolarHBondContact O-N 3.38Å; A219-R222 PolarHBondContact O-N 3.31Å; R222-A224 VanDerWaalsContact C-N 3.32Å; R222-A224 PolarHBondContact O-N 3.32Å; R222-F225 PolarHBondContact O-N 2.82Å; R222-T226 PolarHBondContact O-N 3.37Å; R222-T226 PolarHBondContact O-OG1 3.22Å; R222-T226 VanDerWaalsContact O-OG1 3.12Å
223K95.6Very high92Very high141 Ų14162.4 Ų62.461%0.61333%0.329SS*.Hα-helixtrans-59.4-41.4176.6-73.1175.9-178.6176.50112.3A219 N220 I221 T226 A227A219-K223 WeakPolarHBondContact O-CG 3.4Å; A219-K223 PolarHBondContact O-N 2.72Å; N220-K223 PolarHBondContact O-N 2.9Å; I221-K223 VanDerWaalsContact C-N 3.32Å; I221-K223 PolarHBondContact O-N 3.47Å; K223-T226 PolarHBondContact O-N 2.78Å; K223-A227 WeakPolarHBondContact O-CB 3.48Å; K223-A227 PolarHBondContact O-N 3.5Å
224A95.8Very high91.8Very high17 Ų1761.5 Ų61.514%0.1432%0.324CS..Hα-helixtrans-65.8-42.3178.300000112L198 F204 N220 I221 R222 A227 L228L198-A224 HydrophobicContact CD1-CB 3.91Å; L198-A224 HydrophobicContact CD2-CB 3.95Å; F204-A224 HydrophobicContact CE2-CB 3.99Å; N220-A224 PolarHBondContact O-N 2.9Å; I221-A224 PolarHBondContact O-N 3.41Å; I221-A224 VanDerWaalsContact O-N 3.13Å; R222-A224 VanDerWaalsContact C-N 3.32Å; R222-A224 PolarHBondContact O-N 3.32Å; A224-A227 PolarHBondContact O-N 3.12Å; A224-L228 WeakPolarHBondContact O-CB 3.28Å; A224-L228 PolarHBondContact O-N 3.29Å
225F95.9Very high91.7Very high0 Ų061.3 Ų61.30%033%0.326CS..Hα-helixtrans-63.3-41.4172.9-74.3-44.9000112.8F165 I168 Y177 P196 L198 I221 R222 L228 S229F165-F225 AromaticContact CD2-CD2 3.73Å; F165-F225 HydrophobicContact CD2-CD2 3.73Å; F165-F225 AromaticContact CD2-CE2 3.73Å; F165-F225 HydrophobicContact CD2-CE2 3.73Å; F165-F225 HydrophobicContact CE2-CD2 4.1Å; F165-F225 AromaticContact CE2-CE2 3.97Å; F165-F225 HydrophobicContact CE2-CE2 3.97Å; I168-F225 HydrophobicContact CG2-CB 4.07Å; Y177-F225 HydrophobicContact CD1-CB 3.85Å; Y177-F225 AromaticContact CD1-CD1 3.53Å; Y177-F225 HydrophobicContact CD1-CD1 3.53Å; Y177-F225 HydrophobicContact CD1-CE1 4.18Å; Y177-F225 AromaticContact CD1-CG 3.81Å; Y177-F225 HydrophobicContact CD1-CG 3.81Å; Y177-F225 HydrophobicContact CE1-CD1 4.48Å; Y177-F225 HydrophobicContact CG-CB 4.23Å; Y177-F225 HydrophobicContact CG-CD1 4.23Å; Y177-F225 HydrophobicContact CG-CG 4.17Å; P196-F225 HydrophobicContact CG-CD1 4.19Å; P196-F225 HydrophobicContact CG-CE1 4.1Å; P196-F225 WeakPolarHBondContact O-CE1 3.18Å; L198-F225 HydrophobicContact CD1-CD1 3.69Å; L198-F225 HydrophobicContact CD1-CD2 4.36Å; L198-F225 HydrophobicContact CD1-CE1 3.5Å; L198-F225 VanDerWaalsContact CD1-CE1 3.5Å; L198-F225 HydrophobicContact CD1-CE2 4.2Å; L198-F225 HydrophobicContact CD1-CG 4.13Å; L198-F225 HydrophobicContact CD1-CZ 3.77Å; L198-F225 HydrophobicContact CD2-CD1 3.71Å; L198-F225 HydrophobicContact CD2-CE1 3.99Å; L198-F225 HydrophobicContact CG-CD1 3.8Å; L198-F225 HydrophobicContact CG-CE1 3.57Å; L198-F225 HydrophobicContact CG-CZ 4.27Å; I221-F225 HydrophobicContact CG2-CD2 3.65Å; I221-F225 HydrophobicContact CG2-CE2 3.37Å; I221-F225 HydrophobicContact CG2-CZ 4.2Å; I221-F225 PolarHBondContact O-N 2.84Å; R222-F225 PolarHBondContact O-N 2.82Å; F225-L228 WeakPolarHBondContact O-CB 3.28Å; F225-L228 PolarHBondContact O-N 3.48Å; F225-S229 PolarHBondContact O-N 3.29Å
226T94.4Very high91.5Very high37 Ų3759.3 Ų59.323%0.22731%0.306CS..Hα-helixtrans-61.7-44.9174.5-63.70000111.6R222 K223 L228 S229 Y230R222-T226 PolarHBondContact O-N 3.37Å; R222-T226 PolarHBondContact O-OG1 3.22Å; R222-T226 VanDerWaalsContact O-OG1 3.12Å; K223-T226 PolarHBondContact O-N 2.78Å; T226-L228 VanDerWaalsContact C-N 3.29Å; T226-L228 PolarHBondContact O-N 3.32Å; T226-S229 PolarHBondContact O-N 2.98Å; T226-S229 VanDerWaalsContact O-N 3.15Å; T226-Y230 HydrophobicContact CG2-CD2 4.03Å; T226-Y230 HydrophobicContact CG2-CE2 3.43Å; T226-Y230 VanDerWaalsContact CG2-CE2 3.43Å; T226-Y230 WeakPolarHBondContact O-CD2 3.36Å; T226-Y230 PolarHBondContact O-N 3.35Å
227A93.1Very high91.2Very high59 Ų5960.9 Ų60.949%0.48831%0.307SS..Hα-helixtrans-63.4-34.4176.300000112.7K223 A224K223-A227 WeakPolarHBondContact O-CB 3.48Å; K223-A227 PolarHBondContact O-N 3.5Å; A224-A227 PolarHBondContact O-N 3.12Å
228L91.3Very high90.8Very high59 Ų5964.8 Ų64.831%0.30933%0.327SS..Hα-helixtrans-67.8-35.4174.2-174.967.5000112P196 L198 A224 F225 T226 Y230 K231P196-L228 HydrophobicContact CB-CD2 3.81Å; P196-L228 HydrophobicContact CG-CD2 3.48Å; P196-L228 VanDerWaalsContact CG-CD2 3.48Å; L198-L228 HydrophobicContact CD2-CD2 4.2Å; A224-L228 WeakPolarHBondContact O-CB 3.28Å; A224-L228 PolarHBondContact O-N 3.29Å; F225-L228 WeakPolarHBondContact O-CB 3.28Å; F225-L228 PolarHBondContact O-N 3.48Å; T226-L228 VanDerWaalsContact C-N 3.29Å; T226-L228 PolarHBondContact O-N 3.32Å; L228-Y230 VanDerWaalsContact C-N 3.34Å; L228-Y230 PolarHBondContact O-N 3.49Å; L228-K231 PolarHBondContact O-N 2.96Å
229S87.9Confident90.4Very high22 Ų2268.3 Ų68.315%0.15434%0.343CS..Hα-helixtrans-74.3-19.6-179.3-168.70000114.4D169 Y177 F225 T226D169-S229 VanDerWaalsContact CA-OG 3.3Å; D169-S229 WeakPolarHBondContact CA-OG 3.36Å; D169-S229 VanDerWaalsContact CB-OG 3.29Å; D169-S229 WeakPolarHBondContact CB-OG 3.45Å; Y177-S229 PolarHBondContact OH-OG 3.03Å; F225-S229 PolarHBondContact O-N 3.29Å; T226-S229 PolarHBondContact O-N 2.98Å; T226-S229 VanDerWaalsContact O-N 3.15Å
230Y77.9Confident89.9Confident158 Ų15870.3 Ų70.362%0.6234%0.341SS*.THydrogen-bonded Turntrans-84.4-11.7175.3-72.9-63.4000113.6H170 T226 L228H170-Y230 AromaticContact CD2-CE1 3.94Å; H170-Y230 AromaticContact CD2-CZ 3.98Å; H170-Y230 PolarHBondContact CD2-OH 2.99Å; H170-Y230 AromaticContact NE2-CZ 3.96Å; H170-Y230 PolarHBondContact NE2-OH 3.42Å; T226-Y230 HydrophobicContact CG2-CD2 4.03Å; T226-Y230 HydrophobicContact CG2-CE2 3.43Å; T226-Y230 VanDerWaalsContact CG2-CE2 3.43Å; T226-Y230 WeakPolarHBondContact O-CD2 3.36Å; T226-Y230 PolarHBondContact O-N 3.35Å; L228-Y230 VanDerWaalsContact C-N 3.34Å; L228-Y230 PolarHBondContact O-N 3.49Å
231K58.9Low89.4Confident226 Ų22671.5 Ų71.598%0.98335%0.345SS*.  trans-79.30170.4-70.9-176.9176.8179.50110L228L228-K231 PolarHBondContact O-N 2.96Å

Retrieved 231 of 231 residues in 98 ms (Link to these results)

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