A0A087XK99_POEFO Loading...

Zinc finger, C4H2 domain containing

AlphaFold DB (A0A4W6C4Y2), UniProt , Accession A0A087XK99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 224 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
1M63Low87.2Confident185 Ų185109.6 Ų109.691%0.91157%0.57SS**  0-77.50-55.7-53-84.700112.8E4 Q5M1-E4 WeakPolarHBondContact CA-OE2 3.42Å; M1-E4 PolarHBondContact N-OE2 3.34Å; M1-Q5 PolarHBondContact O-N 3.16Å
2A74.2Confident87.9Confident84 Ų84110.4 Ų110.469%0.69457%0.569SS**Hα-helixtrans-66.5-41.2-177.400000113.6Q5 E6A2-Q5 PolarHBondContact O-N 3.21Å; A2-E6 PolarHBondContact O-N 2.71Å; A2-E6 VanDerWaalsContact O-N 3.16Å
3D82.4Confident88.7Confident117 Ų117107.9 Ų107.963%0.62656%0.557SS**Hα-helixtrans-67.9-36.4-179.7-15018.1000112.1E6 I7D3-E6 PolarHBondContact O-N 2.66Å; D3-I7 WeakPolarHBondContact O-CD1 3.45Å; D3-I7 VanDerWaalsContact O-CG1 3.23Å; D3-I7 WeakPolarHBondContact O-CG1 3.24Å; D3-I7 PolarHBondContact O-N 3.04Å
4E87.3Confident89.3Confident122 Ų122107.6 Ų107.657%0.5756%0.555SS**Hα-helixtrans-68.1-37.7175-70.8163.6141.500112.3M1 E6 I7 M8M1-E4 WeakPolarHBondContact CA-OE2 3.42Å; M1-E4 PolarHBondContact N-OE2 3.34Å; E4-E6 VanDerWaalsContact C-N 3.34Å; E4-I7 PolarHBondContact O-N 3.1Å; E4-M8 WeakPolarHBondContact O-CG 3.38Å; E4-M8 PolarHBondContact O-N 3.02Å
5Q88.4Confident89.8Confident145 Ų145107 Ų10768%0.67855%0.553SS**Hα-helixtrans-65.1-39.7176.1-166.274.924.200111.4M1 A2 M8 C9M1-Q5 PolarHBondContact O-N 3.16Å; A2-Q5 PolarHBondContact O-N 3.21Å; Q5-M8 PolarHBondContact O-N 3.41Å; Q5-C9 PolarHBondContact O-N 3.05Å
6E92.6Very high90.3Very high101 Ų101106.3 Ų106.347%0.47255%0.546SS..Hα-helixtrans-66.4-41.6176.3-167.6-176.2151.900111.6A2 D3 E4 C9 K10A2-E6 PolarHBondContact O-N 2.71Å; A2-E6 VanDerWaalsContact O-N 3.16Å; D3-E6 PolarHBondContact O-N 2.66Å; E4-E6 VanDerWaalsContact C-N 3.34Å; E6-C9 PolarHBondContact O-N 3.42Å; E6-K10 WeakPolarHBondContact O-CG 3.46Å; E6-K10 PolarHBondContact O-N 2.96Å; E6-K10 VanDerWaalsContact OE1-CE 3.24Å; E6-K10 WeakPolarHBondContact OE1-CE 3.23Å; E6-K10 IonicContact OE1-NZ 3.71Å; E6-K10 PolarHBondContact OE1-NZ 3.4Å
7I93.7Very high90.8Very high87 Ų87106.4 Ų106.445%0.44655%0.547SS..Hα-helixtrans-60.9-44.4174.4-69164.8000110.7D3 E4 K10 L11D3-I7 WeakPolarHBondContact O-CD1 3.45Å; D3-I7 VanDerWaalsContact O-CG1 3.23Å; D3-I7 WeakPolarHBondContact O-CG1 3.24Å; D3-I7 PolarHBondContact O-N 3.04Å; E4-I7 PolarHBondContact O-N 3.1Å; I7-K10 PolarHBondContact O-N 3.39Å; I7-L11 HydrophobicContact CG2-CD1 4.19Å; I7-L11 WeakPolarHBondContact O-CG 3.49Å; I7-L11 PolarHBondContact O-N 3.33Å
8M93Very high91.2Very high104 Ų104109.8 Ų109.851%0.51255%0.551SS.*Hα-helixtrans-61.5-44.7177.3-74.3-62.7-66.500112.4E4 Q5 K10 L11 E12E4-M8 WeakPolarHBondContact O-CG 3.38Å; E4-M8 PolarHBondContact O-N 3.02Å; Q5-M8 PolarHBondContact O-N 3.41Å; M8-K10 VanDerWaalsContact C-N 3.34Å; M8-K10 PolarHBondContact O-N 2.91Å; M8-L11 PolarHBondContact O-N 3.02Å; M8-L11 VanDerWaalsContact O-N 3.17Å; M8-L11 HydrophobicContact SD-CD1 4.38Å; M8-E12 PolarHBondContact O-N 3.4Å
9C94.4Very high91.5Very high62 Ų62109.6 Ų109.642%0.41955%0.553SS.*Hα-helixtrans-61.7-40.4176.2-176.50000112.2Q5 E6 L11 E12 N13Q5-C9 PolarHBondContact O-N 3.05Å; E6-C9 PolarHBondContact O-N 3.42Å; C9-L11 VanDerWaalsContact C-N 3.33Å; C9-L11 PolarHBondContact O-N 3.28Å; C9-E12 PolarHBondContact O-N 3.39Å; C9-N13 PolarHBondContact O-N 3.25Å; C9-N13 PolarHBondContact O-ND2 3.45Å; C9-N13 VanDerWaalsContact O-ND2 3.1Å
10K95.2Very high91.9Very high109 Ų109110.4 Ų110.447%0.47455%0.552SS.*Hα-helixtrans-61.7-40.5174.6-73.5171.7-176.2164.80111.8E6 I7 M8 N13 I14E6-K10 WeakPolarHBondContact O-CG 3.46Å; E6-K10 PolarHBondContact O-N 2.96Å; E6-K10 VanDerWaalsContact OE1-CE 3.24Å; E6-K10 WeakPolarHBondContact OE1-CE 3.23Å; E6-K10 IonicContact OE1-NZ 3.71Å; E6-K10 PolarHBondContact OE1-NZ 3.4Å; I7-K10 PolarHBondContact O-N 3.39Å; M8-K10 VanDerWaalsContact C-N 3.34Å; M8-K10 PolarHBondContact O-N 2.91Å; K10-N13 PolarHBondContact O-N 3.45Å; K10-I14 WeakPolarHBondContact O-CD1 3.2Å; K10-I14 VanDerWaalsContact O-CG1 3.25Å; K10-I14 WeakPolarHBondContact O-CG1 3.34Å; K10-I14 PolarHBondContact O-N 3.03Å
11L95.3Very high92.2Very high90 Ų90108 Ų10847%0.47154%0.544SS..Hα-helixtrans-66.1-41.1177.6-70.1170.9000112.5I7 M8 C9 I14 L15I7-L11 HydrophobicContact CG2-CD1 4.19Å; I7-L11 WeakPolarHBondContact O-CG 3.49Å; I7-L11 PolarHBondContact O-N 3.33Å; M8-L11 PolarHBondContact O-N 3.02Å; M8-L11 VanDerWaalsContact O-N 3.17Å; M8-L11 HydrophobicContact SD-CD1 4.38Å; C9-L11 VanDerWaalsContact C-N 3.33Å; C9-L11 PolarHBondContact O-N 3.28Å; L11-I14 PolarHBondContact O-N 3.17Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 2.66Å
12E95.9Very high93.9Very high119 Ų119103 Ų10356%0.55652%0.519SS*.Hα-helixtrans-61-45.2174.7-71.5173.9167.100111.7M8 C9 I14 L15 E16M8-E12 PolarHBondContact O-N 3.4Å; C9-E12 PolarHBondContact O-N 3.39Å; E12-I14 VanDerWaalsContact C-N 3.32Å; E12-I14 PolarHBondContact O-N 3.03Å; E12-L15 WeakPolarHBondContact O-CB 3.48Å; E12-L15 PolarHBondContact O-N 3.42Å; E12-E16 PolarHBondContact O-N 2.97Å
13N97.3Very high95Very high78 Ų78104.8 Ų104.842%0.41751%0.513SS..Hα-helixtrans-60.5-40.6175.1-72.8-37.9000111.9C9 K10 E16 I17C9-N13 PolarHBondContact O-N 3.25Å; C9-N13 PolarHBondContact O-ND2 3.45Å; C9-N13 VanDerWaalsContact O-ND2 3.1Å; K10-N13 PolarHBondContact O-N 3.45Å; N13-E16 PolarHBondContact O-N 3.06Å; N13-I17 WeakPolarHBondContact O-CB 3.25Å; N13-I17 WeakPolarHBondContact O-CD1 3.38Å; N13-I17 WeakPolarHBondContact O-CG1 3.46Å; N13-I17 PolarHBondContact O-N 3.38Å
14I97.3Very high95.8Very high103 Ų103104.2 Ų104.253%0.52851%0.508SS..Hα-helixtrans-63.7-41.2176.4-70.7164.7000111.2K10 L11 E12 I17 R18K10-I14 WeakPolarHBondContact O-CD1 3.2Å; K10-I14 VanDerWaalsContact O-CG1 3.25Å; K10-I14 WeakPolarHBondContact O-CG1 3.34Å; K10-I14 PolarHBondContact O-N 3.03Å; L11-I14 PolarHBondContact O-N 3.17Å; E12-I14 VanDerWaalsContact C-N 3.32Å; E12-I14 PolarHBondContact O-N 3.03Å; I14-I17 PolarHBondContact O-N 3.18Å; I14-R18 WeakPolarHBondContact O-CB 3.2Å; I14-R18 PolarHBondContact O-N 2.71Å
15L96.9Very high96.3Very high99 Ų99102.8 Ų102.852%0.51850%0.502SS..Hα-helixtrans-62.8-42.8175.6-72.9171.9000111.6L11 E12 R18 N19L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 2.66Å; E12-L15 WeakPolarHBondContact O-CB 3.48Å; E12-L15 PolarHBondContact O-N 3.42Å; L15-R18 PolarHBondContact O-N 2.89Å; L15-N19 PolarHBondContact O-N 3.2Å; L15-N19 PolarHBondContact O-ND2 3.37Å
16E97.9Very high96.8Very high96 Ų96102.5 Ų102.545%0.44950%0.498SS..Hα-helixtrans-63.9-45.5176.3-168-176.7163.300111.8E12 N13 R18 N19 K20E12-E16 PolarHBondContact O-N 2.97Å; N13-E16 PolarHBondContact O-N 3.06Å; E16-R18 VanDerWaalsContact C-N 3.28Å; E16-R18 PolarHBondContact O-N 3.46Å; E16-N19 PolarHBondContact O-N 3.02Å; E16-K20 HydrophobicContact CG-CD 4.26Å; E16-K20 WeakPolarHBondContact O-CB 3.45Å; E16-K20 PolarHBondContact O-N 3.34Å; E16-K20 WeakPolarHBondContact OE1-CE 3.34Å; E16-K20 IonicContact OE1-NZ 2.66Å; E16-K20 PolarHBondContact OE1-NZ 3.5Å
17I98.2Very high97.1Very high108 Ų108102.3 Ų102.355%0.55450%0.499SS*.Hα-helixtrans-56.7-45.1175.5-71.4164.5000110.2N13 I14 K20 T21N13-I17 WeakPolarHBondContact O-CB 3.25Å; N13-I17 WeakPolarHBondContact O-CD1 3.38Å; N13-I17 WeakPolarHBondContact O-CG1 3.46Å; N13-I17 PolarHBondContact O-N 3.38Å; I14-I17 PolarHBondContact O-N 3.18Å; I17-K20 PolarHBondContact O-N 3.38Å; I17-T21 VanDerWaalsContact O-CB 3.27Å; I17-T21 WeakPolarHBondContact O-CB 3.48Å; I17-T21 PolarHBondContact O-N 2.99Å; I17-T21 PolarHBondContact O-OG1 3.43Å
18R98.1Very high97.3Very high167 Ų167103.1 Ų103.163%0.6350%0.5SS*.Hα-helixtrans-60.6-47.8178.1-175.2-175.5-178.1-167.91.5111.4I14 L15 E16 T21 I22I14-R18 WeakPolarHBondContact O-CB 3.2Å; I14-R18 PolarHBondContact O-N 2.71Å; L15-R18 PolarHBondContact O-N 2.89Å; E16-R18 VanDerWaalsContact C-N 3.28Å; E16-R18 PolarHBondContact O-N 3.46Å; R18-T21 PolarHBondContact O-N 2.98Å; R18-I22 HydrophobicContact CG-CD1 4.16Å; R18-I22 WeakPolarHBondContact O-CG1 3.27Å; R18-I22 PolarHBondContact O-N 2.99Å
19N98.2Very high97.6Very high107 Ų107101 Ų10157%0.57250%0.495SS*.Hα-helixtrans-63.3-46.7-179.5-73.6-22.3000111.8L15 E16 T21 I22 Q23L15-N19 PolarHBondContact O-N 3.2Å; L15-N19 PolarHBondContact O-ND2 3.37Å; E16-N19 PolarHBondContact O-N 3.02Å; N19-T21 VanDerWaalsContact C-N 3.31Å; N19-T21 PolarHBondContact O-N 2.95Å; N19-I22 PolarHBondContact O-N 2.85Å; N19-Q23 PolarHBondContact O-N 2.85Å
20K98.5Very high97.8Very high125 Ų125106.3 Ų106.354%0.54351%0.506SS..Hα-helixtrans-61.6-39.5175.3-76.8-177.8168.8167.70111.9E16 I17 I22 Q23 M24E16-K20 HydrophobicContact CG-CD 4.26Å; E16-K20 WeakPolarHBondContact O-CB 3.45Å; E16-K20 PolarHBondContact O-N 3.34Å; E16-K20 WeakPolarHBondContact OE1-CE 3.34Å; E16-K20 IonicContact OE1-NZ 2.66Å; E16-K20 PolarHBondContact OE1-NZ 3.5Å; I17-K20 PolarHBondContact O-N 3.38Å; K20-I22 PolarHBondContact O-N 3.35Å; K20-Q23 PolarHBondContact O-N 3.49Å; K20-M24 VanDerWaalsContact O-CB 3.29Å; K20-M24 WeakPolarHBondContact O-CB 3.29Å; K20-M24 PolarHBondContact O-N 3.42Å
21T98.4Very high98Very high61 Ų61106.7 Ų106.737%0.37451%0.513SS..Hα-helixtrans-61.7-45.1176-600000111.2I17 R18 N19 M24 Q25I17-T21 VanDerWaalsContact O-CB 3.27Å; I17-T21 WeakPolarHBondContact O-CB 3.48Å; I17-T21 PolarHBondContact O-N 2.99Å; I17-T21 PolarHBondContact O-OG1 3.43Å; R18-T21 PolarHBondContact O-N 2.98Å; N19-T21 VanDerWaalsContact C-N 3.31Å; N19-T21 PolarHBondContact O-N 2.95Å; T21-M24 PolarHBondContact O-N 3Å; T21-Q25 WeakPolarHBondContact O-CG 3.36Å; T21-Q25 PolarHBondContact O-N 3.25Å
22I98.4Very high98.1Very high78 Ų78108.2 Ų108.240%0.452%0.516SS..Hα-helixtrans-63.1-45.2177.3-67.4165.6000111.1R18 N19 K20 Q25 K26R18-I22 HydrophobicContact CG-CD1 4.16Å; R18-I22 WeakPolarHBondContact O-CG1 3.27Å; R18-I22 PolarHBondContact O-N 2.99Å; N19-I22 PolarHBondContact O-N 2.85Å; K20-I22 PolarHBondContact O-N 3.35Å; I22-Q25 PolarHBondContact O-N 2.86Å; I22-K26 WeakPolarHBondContact O-CG 3.47Å; I22-K26 PolarHBondContact O-N 3.4Å; I22-K26 VanDerWaalsContact O-N 3.09Å
23Q98.5Very high98.2Very high122 Ų122107.7 Ų107.757%0.5752%0.516SS*.Hα-helixtrans-60.9-45.6177.2-173.9-177.811.500111.5N19 K20 Q25 K26 I27N19-Q23 PolarHBondContact O-N 2.85Å; K20-Q23 PolarHBondContact O-N 3.49Å; Q23-Q25 VanDerWaalsContact C-N 3.33Å; Q23-Q25 PolarHBondContact O-N 2.98Å; Q23-K26 PolarHBondContact O-N 3.29Å; Q23-I27 HydrophobicContact CG-CD1 4.16Å; Q23-I27 WeakPolarHBondContact O-CG1 3.37Å; Q23-I27 PolarHBondContact O-N 3.2Å
24M98.4Very high98.3Very high105 Ų105110 Ų11052%0.51752%0.524SS..Hα-helixtrans-58.6-43.6176.3-178.9-17566.500111.5K20 T21 K26 I27 K28K20-M24 VanDerWaalsContact O-CB 3.29Å; K20-M24 WeakPolarHBondContact O-CB 3.29Å; K20-M24 PolarHBondContact O-N 3.42Å; T21-M24 PolarHBondContact O-N 3Å; M24-K26 VanDerWaalsContact C-N 3.35Å; M24-K26 PolarHBondContact O-N 3.21Å; M24-I27 PolarHBondContact O-N 2.97Å; M24-K28 VanDerWaalsContact O-CB 3.26Å; M24-K28 WeakPolarHBondContact O-CB 3.43Å; M24-K28 PolarHBondContact O-N 3.45Å
25Q98.6Very high98.4Very high93 Ų93110.3 Ų110.344%0.43552%0.522SS..Hα-helixtrans-64.4-37.8177.6-67.1-57.8-26.700112.5T21 I22 Q23 K28 S29T21-Q25 WeakPolarHBondContact O-CG 3.36Å; T21-Q25 PolarHBondContact O-N 3.25Å; I22-Q25 PolarHBondContact O-N 2.86Å; Q23-Q25 VanDerWaalsContact C-N 3.33Å; Q23-Q25 PolarHBondContact O-N 2.98Å; Q25-K28 PolarHBondContact O-N 3.46Å; Q25-S29 PolarHBondContact O-N 3.3Å; Q25-S29 PolarHBondContact O-OG 3.29Å
26K98.5Very high98.5Very high139 Ų139111.6 Ų111.660%0.60453%0.525SS*.Hα-helixtrans-64.9-40.9174.6-70.7178.8-179.7-178.50112.4I22 Q23 M24 S29 R30I22-K26 WeakPolarHBondContact O-CG 3.47Å; I22-K26 PolarHBondContact O-N 3.4Å; I22-K26 VanDerWaalsContact O-N 3.09Å; Q23-K26 PolarHBondContact O-N 3.29Å; M24-K26 VanDerWaalsContact C-N 3.35Å; M24-K26 PolarHBondContact O-N 3.21Å; K26-S29 PolarHBondContact O-OG 2.95Å; K26-R30 WeakPolarHBondContact O-CG 3.48Å; K26-R30 PolarHBondContact O-N 3.44Å
27I98.6Very high98.5Very high97 Ų97109.6 Ų109.650%0.49753%0.525SS..Hα-helixtrans-68.1-43.3176.4-66.6170.5000109.8Q23 M24 S29 R30 L31Q23-I27 HydrophobicContact CG-CD1 4.16Å; Q23-I27 WeakPolarHBondContact O-CG1 3.37Å; Q23-I27 PolarHBondContact O-N 3.2Å; M24-I27 PolarHBondContact O-N 2.97Å; I27-S29 VanDerWaalsContact C-N 3.34Å; I27-S29 PolarHBondContact O-N 3.41Å; I27-R30 PolarHBondContact O-N 2.84Å; I27-L31 WeakPolarHBondContact O-CB 3.2Å; I27-L31 PolarHBondContact O-N 3.31Å
28K98.6Very high98.5Very high103 Ų103109.7 Ų109.745%0.44853%0.526SS..Hα-helixtrans-59.1-42178.1-176.3179.5-179.6177.80112.3M24 Q25 K32M24-K28 VanDerWaalsContact O-CB 3.26Å; M24-K28 WeakPolarHBondContact O-CB 3.43Å; M24-K28 PolarHBondContact O-N 3.45Å; Q25-K28 PolarHBondContact O-N 3.46Å; K28-K32 WeakPolarHBondContact O-CG 3.26Å; K28-K32 PolarHBondContact O-N 3.09Å
29S98.6Very high98.5Very high61 Ų61106.7 Ų106.743%0.42752%0.519SS..Hα-helixtrans-66.8-43.9177.863.60000112Q25 K26 I27 K32 I33Q25-S29 PolarHBondContact O-N 3.3Å; Q25-S29 PolarHBondContact O-OG 3.29Å; K26-S29 PolarHBondContact O-OG 2.95Å; I27-S29 VanDerWaalsContact C-N 3.34Å; I27-S29 PolarHBondContact O-N 3.41Å; S29-K32 PolarHBondContact O-N 3.3Å; S29-I33 PolarHBondContact O-N 2.9Å
30R98.6Very high98.5Very high172 Ų172104.3 Ų104.365%0.64951%0.511SS*.Hα-helixtrans-61-45.3175.1-71.6177.364.4-167.4-0.9111.9K26 I27 K32 I33 E34K26-R30 WeakPolarHBondContact O-CG 3.48Å; K26-R30 PolarHBondContact O-N 3.44Å; I27-R30 PolarHBondContact O-N 2.84Å; R30-K32 VanDerWaalsContact C-N 3.27Å; R30-K32 PolarHBondContact O-N 3.38Å; R30-I33 PolarHBondContact O-N 3.03Å; R30-E34 WeakPolarHBondContact O-CG 3.42Å; R30-E34 PolarHBondContact O-N 3.31Å
31L98.6Very high98.6Very high118 Ų118103.8 Ų103.862%0.61851%0.51SS*.Hα-helixtrans-58-40.1179.6-178.363.7000112I27 F35I27-L31 WeakPolarHBondContact O-CB 3.2Å; I27-L31 PolarHBondContact O-N 3.31Å; L31-F35 VanDerWaalsContact O-CB 3.28Å; L31-F35 WeakPolarHBondContact O-CB 3.44Å; L31-F35 PolarHBondContact O-N 2.97Å
32K98.6Very high98.6Very high122 Ų122105.7 Ų105.753%0.5352%0.515SS..Hα-helixtrans-62.4-45.2177-74.3-179.7172.4-163.60112.4K28 S29 R30 F35 E36K28-K32 WeakPolarHBondContact O-CG 3.26Å; K28-K32 PolarHBondContact O-N 3.09Å; S29-K32 PolarHBondContact O-N 3.3Å; R30-K32 VanDerWaalsContact C-N 3.27Å; R30-K32 PolarHBondContact O-N 3.38Å; K32-F35 PolarHBondContact O-N 2.69Å; K32-E36 WeakPolarHBondContact O-CG 3.28Å; K32-E36 PolarHBondContact O-N 3.01Å
33I98.6Very high98.6Very high107 Ų107108 Ų10855%0.54952%0.522SS..Hα-helixtrans-63.5-46.1179.9-63.9167.4000110.5S29 R30 F35 E36 A37S29-I33 PolarHBondContact O-N 2.9Å; R30-I33 PolarHBondContact O-N 3.03Å; I33-F35 VanDerWaalsContact C-N 3.3Å; I33-F35 PolarHBondContact O-N 2.96Å; I33-E36 PolarHBondContact O-N 3.17Å; I33-A37 PolarHBondContact O-N 3.35Å
34E98.7Very high98.6Very high126 Ų126105.1 Ų105.159%0.58951%0.509SS*.Hα-helixtrans-64-36.9178-64.8-62.1156.400111.9R30 A37 L38R30-E34 WeakPolarHBondContact O-CG 3.42Å; R30-E34 PolarHBondContact O-N 3.31Å; E34-A37 PolarHBondContact O-N 3.36Å; E34-L38 WeakPolarHBondContact O-CB 3.25Å; E34-L38 PolarHBondContact O-N 3.27Å
35F98.5Very high98.6Very high111 Ų111104.1 Ų104.149%0.48751%0.505SS..Hα-helixtrans-65.9-44.8177.2-174.4-98.5000112L31 K32 I33 A37 L38 E39L31-F35 VanDerWaalsContact O-CB 3.28Å; L31-F35 WeakPolarHBondContact O-CB 3.44Å; L31-F35 PolarHBondContact O-N 2.97Å; K32-F35 PolarHBondContact O-N 2.69Å; I33-F35 VanDerWaalsContact C-N 3.3Å; I33-F35 PolarHBondContact O-N 2.96Å; F35-A37 VanDerWaalsContact C-N 3.3Å; F35-A37 PolarHBondContact O-N 3.41Å; F35-L38 WeakPolarHBondContact O-CB 3.4Å; F35-L38 PolarHBondContact O-N 3.34Å; F35-E39 HydrophobicContact CD1-CG 4.29Å; F35-E39 HydrophobicContact CE1-CG 3.89Å; F35-E39 WeakPolarHBondContact CE1-OE1 3.39Å; F35-E39 HydrophobicContact CZ-CG 4.11Å; F35-E39 PolarHBondContact O-N 3.17Å
36E98.7Very high98.6Very high125 Ų125105.6 Ų105.658%0.58451%0.51SS*.Hα-helixtrans-61.4-39.1174.8-71.2169.4-16600111.7K32 I33 S40K32-E36 WeakPolarHBondContact O-CG 3.28Å; K32-E36 PolarHBondContact O-N 3.01Å; I33-E36 PolarHBondContact O-N 3.17Å; E36-S40 WeakPolarHBondContact O-CB 3.35Å; E36-S40 PolarHBondContact O-N 3.13Å; E36-S40 VanDerWaalsContact O-N 3.1Å
37A98.6Very high98.6Very high54 Ų54103.3 Ų103.345%0.44650%0.501SS..Hα-helixtrans-64.9-41174.800000112I33 E34 F35 S40 E41I33-A37 PolarHBondContact O-N 3.35Å; E34-A37 PolarHBondContact O-N 3.36Å; F35-A37 VanDerWaalsContact C-N 3.3Å; F35-A37 PolarHBondContact O-N 3.41Å; A37-S40 WeakPolarHBondContact O-CB 3.43Å; A37-S40 PolarHBondContact O-N 3.31Å; A37-E41 PolarHBondContact O-N 2.9Å
38L98.5Very high98.6Very high111 Ų111105.7 Ų105.758%0.58151%0.505SS*.Hα-helixtrans-62.8-45.7176.5179.866.8000111.9E34 F35 S40 E41 E42E34-L38 WeakPolarHBondContact O-CB 3.25Å; E34-L38 PolarHBondContact O-N 3.27Å; F35-L38 WeakPolarHBondContact O-CB 3.4Å; F35-L38 PolarHBondContact O-N 3.34Å; L38-S40 VanDerWaalsContact C-N 3.31Å; L38-S40 PolarHBondContact O-N 3.16Å; L38-E41 PolarHBondContact O-N 3.5Å; L38-E42 PolarHBondContact O-N 3.3Å
39E98.7Very high98.6Very high104 Ų104106.9 Ų106.949%0.48651%0.51SS..Hα-helixtrans-61.8-40.2177.1-72.4-175136.800111.9F35 E42 K43F35-E39 HydrophobicContact CD1-CG 4.29Å; F35-E39 HydrophobicContact CE1-CG 3.89Å; F35-E39 WeakPolarHBondContact CE1-OE1 3.39Å; F35-E39 HydrophobicContact CZ-CG 4.11Å; F35-E39 PolarHBondContact O-N 3.17Å; E39-E42 PolarHBondContact O-N 3.37Å; E39-K43 PolarHBondContact O-N 2.96Å; E39-K43 VanDerWaalsContact O-N 3.14Å
40S98.6Very high98.6Very high57 Ų57110 Ų11040%0.39952%0.518SS..Hα-helixtrans-61.9-45.8174.8-174.70000111.6E36 A37 L38 E42 K43 H44E36-S40 WeakPolarHBondContact O-CB 3.35Å; E36-S40 PolarHBondContact O-N 3.13Å; E36-S40 VanDerWaalsContact O-N 3.1Å; A37-S40 WeakPolarHBondContact O-CB 3.43Å; A37-S40 PolarHBondContact O-N 3.31Å; L38-S40 VanDerWaalsContact C-N 3.31Å; L38-S40 PolarHBondContact O-N 3.16Å; S40-E42 PolarHBondContact O-N 3.26Å; S40-K43 WeakPolarHBondContact O-CB 3.39Å; S40-K43 PolarHBondContact O-N 3.44Å; S40-H44 PolarHBondContact O-N 3.38Å; S40-H44 PolarHBondContact O-ND1 3.38Å; S40-H44 PolarHBondContact OG-CE1 3.02Å
41E98.6Very high98.6Very high113 Ų113107 Ų10753%0.52851%0.511SS..Hα-helixtrans-66.4-38.1179.1-167.159.3-157.900112.3A37 L38 K43 H44 L45A37-E41 PolarHBondContact O-N 2.9Å; L38-E41 PolarHBondContact O-N 3.5Å; E41-K43 VanDerWaalsContact C-N 3.26Å; E41-K43 PolarHBondContact O-N 3.47Å; E41-H44 PolarHBondContact O-N 2.93Å; E41-H44 IonicContact OE2-ND1 2.85Å; E41-L45 WeakPolarHBondContact O-CB 3.39Å; E41-L45 PolarHBondContact O-N 3.48Å
42E98.7Very high98.6Very high101 Ų101106.6 Ų106.647%0.47251%0.508SS..Hα-helixtrans-61.3-38174.6-163.3-166.3152.900111.6L38 E39 S40 K46L38-E42 PolarHBondContact O-N 3.3Å; E39-E42 PolarHBondContact O-N 3.37Å; S40-E42 PolarHBondContact O-N 3.26Å; E42-K46 WeakPolarHBondContact O-CG 3.42Å; E42-K46 PolarHBondContact O-N 3.22Å; E42-K46 VanDerWaalsContact OE1-CE 3.25Å; E42-K46 WeakPolarHBondContact OE1-CE 3.45Å; E42-K46 IonicContact OE1-NZ 2.66Å; E42-K46 PolarHBondContact OE1-NZ 3.28Å
43K98.6Very high98.6Very high127 Ų127105.8 Ų105.855%0.55251%0.509SS*.Hα-helixtrans-65.5-48.9175.4-173.1-176.4174.7-170.60111.5E39 S40 E41 L45 K46 E47E39-K43 PolarHBondContact O-N 2.96Å; E39-K43 VanDerWaalsContact O-N 3.14Å; S40-K43 WeakPolarHBondContact O-CB 3.39Å; S40-K43 PolarHBondContact O-N 3.44Å; E41-K43 VanDerWaalsContact C-N 3.26Å; E41-K43 PolarHBondContact O-N 3.47Å; K43-L45 VanDerWaalsContact C-N 3.29Å; K43-L45 PolarHBondContact O-N 3.08Å; K43-K46 WeakPolarHBondContact O-CB 3.47Å; K43-K46 PolarHBondContact O-N 3.14Å; K43-K46 VanDerWaalsContact O-N 3.16Å; K43-E47 VanDerWaalsContact CE-OE1 3.25Å; K43-E47 WeakPolarHBondContact CE-OE1 3.46Å; K43-E47 PolarHBondContact O-N 3.19Å; K43-E47 VanDerWaalsContact O-N 3.08Å
44H98.6Very high98.6Very high61 Ų61104.3 Ų104.328%0.28250%0.502SS..Hα-helixtrans-59.6-41.2177.3-62.1140.6000111.9S40 E41 K46 E47 Y48S40-H44 PolarHBondContact O-N 3.38Å; S40-H44 PolarHBondContact O-ND1 3.38Å; S40-H44 PolarHBondContact OG-CE1 3.02Å; E41-H44 PolarHBondContact O-N 2.93Å; E41-H44 IonicContact OE2-ND1 2.85Å; H44-K46 VanDerWaalsContact C-N 3.28Å; H44-K46 PolarHBondContact O-N 3.23Å; H44-E47 IonicContact CD2-OE2 3.9Å; H44-E47 PolarHBondContact O-N 3.03Å; H44-E47 VanDerWaalsContact O-N 3.14Å; H44-Y48 HydrophobicContact CB-CE2 3.92Å; H44-Y48 VanDerWaalsContact O-CD2 3.27Å; H44-Y48 WeakPolarHBondContact O-CD2 3.42Å; H44-Y48 VanDerWaalsContact O-CG 3.23Å; H44-Y48 PolarHBondContact O-N 3.39Å
45L98.7Very high98.6Very high85 Ų85102.2 Ų102.245%0.44550%0.495SS..Hα-helixtrans-60.4-38.4177.6-177.262.5000112.3E41 K43 K49E41-L45 WeakPolarHBondContact O-CB 3.39Å; E41-L45 PolarHBondContact O-N 3.48Å; K43-L45 VanDerWaalsContact C-N 3.29Å; K43-L45 PolarHBondContact O-N 3.08Å; L45-K49 WeakPolarHBondContact O-CG 3.49Å; L45-K49 PolarHBondContact O-N 3.05Å; L45-K49 VanDerWaalsContact O-N 3.13Å
46K98.6Very high98.5Very high124 Ų124101.1 Ų101.154%0.53949%0.493SS..Hα-helixtrans-65.2-44.7174.6-71.9168.8-174.9164.90111.2E42 K43 H44 Y48 K49 Q50E42-K46 WeakPolarHBondContact O-CG 3.42Å; E42-K46 PolarHBondContact O-N 3.22Å; E42-K46 VanDerWaalsContact OE1-CE 3.25Å; E42-K46 WeakPolarHBondContact OE1-CE 3.45Å; E42-K46 IonicContact OE1-NZ 2.66Å; E42-K46 PolarHBondContact OE1-NZ 3.28Å; K43-K46 WeakPolarHBondContact O-CB 3.47Å; K43-K46 PolarHBondContact O-N 3.14Å; K43-K46 VanDerWaalsContact O-N 3.16Å; H44-K46 VanDerWaalsContact C-N 3.28Å; H44-K46 PolarHBondContact O-N 3.23Å; K46-Y48 PolarHBondContact O-N 3.1Å; K46-K49 PolarHBondContact O-N 3.46Å; K46-Q50 PolarHBondContact O-N 3.47Å
47E98.7Very high98.4Very high90 Ų90101.6 Ų101.642%0.42150%0.496SS..Hα-helixtrans-61.2-43.1177.7-68.6173.7-18000111.6K43 H44 K49 Q50 E51K43-E47 VanDerWaalsContact CE-OE1 3.25Å; K43-E47 WeakPolarHBondContact CE-OE1 3.46Å; K43-E47 PolarHBondContact O-N 3.19Å; K43-E47 VanDerWaalsContact O-N 3.08Å; H44-E47 IonicContact CD2-OE2 3.9Å; H44-E47 PolarHBondContact O-N 3.03Å; H44-E47 VanDerWaalsContact O-N 3.14Å; E47-K49 PolarHBondContact O-N 3.2Å; E47-Q50 PolarHBondContact O-N 3.48Å; E47-E51 WeakPolarHBondContact O-CB 3.25Å; E47-E51 PolarHBondContact O-N 3.34Å
48Y98.8Very high98.4Very high148 Ų148104.5 Ų104.558%0.5850%0.5SS*.Hα-helixtrans-66.2-37.6178-60-30.5000113.3H44 K46 E51 M52H44-Y48 HydrophobicContact CB-CE2 3.92Å; H44-Y48 VanDerWaalsContact O-CD2 3.27Å; H44-Y48 WeakPolarHBondContact O-CD2 3.42Å; H44-Y48 VanDerWaalsContact O-CG 3.23Å; H44-Y48 PolarHBondContact O-N 3.39Å; K46-Y48 PolarHBondContact O-N 3.1Å; Y48-E51 PolarHBondContact O-N 3.28Å; Y48-M52 WeakPolarHBondContact O-CB 3.45Å; Y48-M52 PolarHBondContact O-N 3.06Å
49K98.5Very high98.3Very high127 Ų127105.1 Ų105.155%0.55250%0.498SS*.Hα-helixtrans-64.8-44174.5-74.8176.5179.7-179.10111.2L45 K46 E47 E51 M52 D53L45-K49 WeakPolarHBondContact O-CG 3.49Å; L45-K49 PolarHBondContact O-N 3.05Å; L45-K49 VanDerWaalsContact O-N 3.13Å; K46-K49 PolarHBondContact O-N 3.46Å; E47-K49 PolarHBondContact O-N 3.2Å; K49-E51 PolarHBondContact O-N 3.27Å; K49-M52 WeakPolarHBondContact O-CB 3.5Å; K49-M52 PolarHBondContact O-N 3.5Å; K49-D53 PolarHBondContact O-N 3.14Å
50Q98.6Very high98.2Very high127 Ų127103.9 Ų103.959%0.59349%0.493SS*.Hα-helixtrans-61.9-44176.4-176.6178.94.800111.8K46 E47 M52 D53 L54K46-Q50 PolarHBondContact O-N 3.47Å; E47-Q50 PolarHBondContact O-N 3.48Å; Q50-M52 VanDerWaalsContact C-N 3.3Å; Q50-M52 PolarHBondContact O-N 3.01Å; Q50-D53 PolarHBondContact O-N 2.96Å; Q50-L54 WeakPolarHBondContact O-CG 3.27Å; Q50-L54 PolarHBondContact O-N 2.91Å
51E98.5Very high98Very high108 Ų108103.7 Ų103.751%0.50550%0.495SS..Hα-helixtrans-61.6-40.1176.9-171.566.7-168.200111.5E47 Y48 K49 D53 L54 L55E47-E51 WeakPolarHBondContact O-CB 3.25Å; E47-E51 PolarHBondContact O-N 3.34Å; Y48-E51 PolarHBondContact O-N 3.28Å; K49-E51 PolarHBondContact O-N 3.27Å; E51-D53 VanDerWaalsContact C-N 3.34Å; E51-D53 PolarHBondContact O-N 3.04Å; E51-L54 PolarHBondContact O-N 3.32Å; E51-L55 HydrophobicContact CG-CD1 4.4Å; E51-L55 WeakPolarHBondContact O-CG 3.37Å; E51-L55 PolarHBondContact O-N 3.33Å
52M98.4Very high97.8Very high110 Ų110103.5 Ų103.554%0.54249%0.494SS..Hα-helixtrans-60-43.4174.4-176.763.268.400112Y48 K49 Q50 L54 L55 L56Y48-M52 WeakPolarHBondContact O-CB 3.45Å; Y48-M52 PolarHBondContact O-N 3.06Å; K49-M52 WeakPolarHBondContact O-CB 3.5Å; K49-M52 PolarHBondContact O-N 3.5Å; Q50-M52 VanDerWaalsContact C-N 3.3Å; Q50-M52 PolarHBondContact O-N 3.01Å; M52-L54 VanDerWaalsContact C-N 3.35Å; M52-L54 PolarHBondContact O-N 3.48Å; M52-L55 PolarHBondContact O-N 2.89Å; M52-L56 HydrophobicContact CG-CD1 4.38Å; M52-L56 WeakPolarHBondContact O-CG 3.49Å; M52-L56 PolarHBondContact O-N 3.38Å
53D98.4Very high97.7Very high106 Ų106101.7 Ų101.757%0.56749%0.49SS*.Hα-helixtrans-63.9-40.5178.3-69.2-26.1000111.6K49 Q50 E51 L56 Q57K49-D53 PolarHBondContact O-N 3.14Å; Q50-D53 PolarHBondContact O-N 2.96Å; E51-D53 VanDerWaalsContact C-N 3.34Å; E51-D53 PolarHBondContact O-N 3.04Å; D53-L56 PolarHBondContact O-N 3.48Å; D53-Q57 PolarHBondContact O-N 3.31Å
54L98.2Very high97.5Very high75 Ų7599.6 Ų99.639%0.39348%0.482SS..Hα-helixtrans-62.8-45175-68.9174.5000111.7Q50 E51 M52 L56 Q57 E58Q50-L54 WeakPolarHBondContact O-CG 3.27Å; Q50-L54 PolarHBondContact O-N 2.91Å; E51-L54 PolarHBondContact O-N 3.32Å; M52-L54 VanDerWaalsContact C-N 3.35Å; M52-L54 PolarHBondContact O-N 3.48Å; L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 PolarHBondContact O-N 3.25Å; L54-Q57 WeakPolarHBondContact O-CB 3.41Å; L54-Q57 PolarHBondContact O-N 3.46Å; L54-Q57 VanDerWaalsContact O-N 3.13Å; L54-E58 WeakPolarHBondContact O-CG 3.44Å; L54-E58 PolarHBondContact O-N 3.39Å
55L98.6Very high97.3Very high83 Ų83101.7 Ų101.744%0.43549%0.492SS..Hα-helixtrans-62.5-38.3177-70.9170.7000112.2E51 M52 Q57 E58 K59E51-L55 HydrophobicContact CG-CD1 4.4Å; E51-L55 WeakPolarHBondContact O-CG 3.37Å; E51-L55 PolarHBondContact O-N 3.33Å; M52-L55 PolarHBondContact O-N 2.89Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; L55-E58 PolarHBondContact O-N 2.91Å; L55-K59 WeakPolarHBondContact O-CB 3.5Å; L55-K59 PolarHBondContact O-N 3.21Å
56L96.5Very high97.2Very high88 Ų88102.2 Ų102.246%0.46149%0.494SS..Hα-helixtrans-65.7-38.6174.1-72.9173.2000111.7M52 D53 L54 K59 M60M52-L56 HydrophobicContact CG-CD1 4.38Å; M52-L56 WeakPolarHBondContact O-CG 3.49Å; M52-L56 PolarHBondContact O-N 3.38Å; D53-L56 PolarHBondContact O-N 3.48Å; L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 PolarHBondContact O-N 3.25Å; L56-K59 WeakPolarHBondContact O-CB 3.38Å; L56-K59 PolarHBondContact O-N 3.08Å; L56-M60 WeakPolarHBondContact O-CG 3.33Å; L56-M60 PolarHBondContact O-N 3.33Å; L56-M60 VanDerWaalsContact O-N 3.09Å
57Q98.1Very high97Very high135 Ų135102.5 Ų102.563%0.63149%0.492SS*.Hα-helixtrans-64.7-46.1174.7-175.1-179.9-8.400111.6D53 L54 L55 K59 M60 A61D53-Q57 PolarHBondContact O-N 3.31Å; L54-Q57 WeakPolarHBondContact O-CB 3.41Å; L54-Q57 PolarHBondContact O-N 3.46Å; L54-Q57 VanDerWaalsContact O-N 3.13Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; Q57-K59 VanDerWaalsContact C-N 3.33Å; Q57-K59 PolarHBondContact O-N 3.4Å; Q57-M60 PolarHBondContact O-N 3.11Å; Q57-M60 VanDerWaalsContact O-N 3.11Å; Q57-A61 PolarHBondContact O-N 3.47Å
58E97.4Very high96.8Very high115 Ų115102.3 Ų102.354%0.53749%0.493SS..Hα-helixtrans-59.2-43.7175.5-73.1-175.815900111.5L54 L55 M60 A61 H62L54-E58 WeakPolarHBondContact O-CG 3.44Å; L54-E58 PolarHBondContact O-N 3.39Å; L55-E58 PolarHBondContact O-N 2.91Å; E58-M60 VanDerWaalsContact C-N 3.28Å; E58-M60 PolarHBondContact O-N 3.09Å; E58-A61 WeakPolarHBondContact O-CB 3.41Å; E58-A61 PolarHBondContact O-N 3.41Å; E58-A61 VanDerWaalsContact O-N 3.15Å; E58-H62 PolarHBondContact O-N 3.35Å
59K96.6Very high96.7Very high124 Ų12499.5 Ų99.554%0.53949%0.488SS..Hα-helixtrans-55.8-43.6173.7178.8-167.9171.7-174.90111.7L55 L56 Q57 H62 V63L55-K59 WeakPolarHBondContact O-CB 3.5Å; L55-K59 PolarHBondContact O-N 3.21Å; L56-K59 WeakPolarHBondContact O-CB 3.38Å; L56-K59 PolarHBondContact O-N 3.08Å; Q57-K59 VanDerWaalsContact C-N 3.33Å; Q57-K59 PolarHBondContact O-N 3.4Å; K59-H62 PolarHBondContact O-N 3.3Å; K59-V63 WeakPolarHBondContact O-CG2 3.49Å; K59-V63 PolarHBondContact O-N 3.47Å; K59-V63 VanDerWaalsContact O-N 3.13Å
60M95.6Very high96.4Very high77 Ų7798.1 Ų98.138%0.37948%0.483SS..Hα-helixtrans-68.2-36.7178.1-67.2-63.487.800112.5L56 Q57 E58 V63 E64 Q166L56-M60 WeakPolarHBondContact O-CG 3.33Å; L56-M60 PolarHBondContact O-N 3.33Å; L56-M60 VanDerWaalsContact O-N 3.09Å; Q57-M60 PolarHBondContact O-N 3.11Å; Q57-M60 VanDerWaalsContact O-N 3.11Å; E58-M60 VanDerWaalsContact C-N 3.28Å; E58-M60 PolarHBondContact O-N 3.09Å; M60-V63 HydrophobicContact CE-CG2 4.02Å; M60-V63 PolarHBondContact O-N 3.34Å; M60-E64 PolarHBondContact O-N 3.15Å; M60-E64 VanDerWaalsContact O-N 3.16Å; M60-Q166 PolarHBondContact SD-NE2 3.27Å
61A95.1Very high96.1Very high53 Ų5393.8 Ų93.844%0.43847%0.469SS..Hα-helixtrans-59.9-45.6173.300000111.5Q57 E58 V63 E64 E65Q57-A61 PolarHBondContact O-N 3.47Å; E58-A61 WeakPolarHBondContact O-CB 3.41Å; E58-A61 PolarHBondContact O-N 3.41Å; E58-A61 VanDerWaalsContact O-N 3.15Å; A61-V63 VanDerWaalsContact C-N 3.34Å; A61-V63 PolarHBondContact O-N 3.5Å; A61-E64 PolarHBondContact O-N 2.87Å; A61-E64 VanDerWaalsContact O-N 3.17Å; A61-E65 WeakPolarHBondContact O-CG 3.48Å; A61-E65 PolarHBondContact O-N 2.85Å
62H95.5Very high96.1Very high110 Ų11093.6 Ų93.651%0.50947%0.471SS..Hα-helixtrans-64.1-35176.7-70.7-36.1000113.7E58 K59 E64 E65 L66E58-H62 PolarHBondContact O-N 3.35Å; K59-H62 PolarHBondContact O-N 3.3Å; H62-E64 VanDerWaalsContact C-N 3.31Å; H62-E64 PolarHBondContact O-N 3.13Å; H62-E65 IonicContact CE1-OE2 2.67Å; H62-E65 IonicContact CG-OE2 3.62Å; H62-E65 IonicContact ND1-OE2 3.49Å; H62-E65 PolarHBondContact ND1-OE2 3.34Å; H62-E65 PolarHBondContact O-N 2.99Å; H62-L66 WeakPolarHBondContact O-CG 3.33Å; H62-L66 PolarHBondContact O-N 2.95Å
63V96.7Very high95.9Very high63 Ų6392.2 Ų92.238%0.38247%0.465SS..Hα-helixtrans-63-39.8174.3169.30000111.1K59 M60 A61 L66 R67K59-V63 WeakPolarHBondContact O-CG2 3.49Å; K59-V63 PolarHBondContact O-N 3.47Å; K59-V63 VanDerWaalsContact O-N 3.13Å; M60-V63 HydrophobicContact CE-CG2 4.02Å; M60-V63 PolarHBondContact O-N 3.34Å; A61-V63 VanDerWaalsContact C-N 3.34Å; A61-V63 PolarHBondContact O-N 3.5Å; V63-L66 PolarHBondContact O-N 3.43Å; V63-R67 PolarHBondContact O-N 2.95Å
64E94Very high95.7Very high83 Ų8391.3 Ų91.339%0.38846%0.46SS..Hα-helixtrans-70.6-38.7176.7-175.658.5-163.600112M60 A61 H62 L66 R67 L68M60-E64 PolarHBondContact O-N 3.15Å; M60-E64 VanDerWaalsContact O-N 3.16Å; A61-E64 PolarHBondContact O-N 2.87Å; A61-E64 VanDerWaalsContact O-N 3.17Å; H62-E64 VanDerWaalsContact C-N 3.31Å; H62-E64 PolarHBondContact O-N 3.13Å; E64-L66 VanDerWaalsContact C-N 3.31Å; E64-L66 PolarHBondContact O-N 2.97Å; E64-R67 VanDerWaalsContact CD-NE 3.32Å; E64-R67 WeakPolarHBondContact O-CB 3.37Å; E64-R67 PolarHBondContact O-N 3.33Å; E64-R67 VanDerWaalsContact O-N 3.09Å; E64-R67 IonicContact OE1-CZ 3.98Å; E64-R67 VanDerWaalsContact OE1-CZ 3.27Å; E64-R67 IonicContact OE1-NE 2.69Å; E64-R67 PolarHBondContact OE1-NE 3.12Å; E64-R67 IonicContact OE1-NH2 3.94Å; E64-R67 PolarHBondContact OE1-NH2 2.92Å; E64-R67 WeakPolarHBondContact OE2-CD 3.38Å; E64-R67 IonicContact OE2-CZ 2.85Å; E64-R67 IonicContact OE2-NE 3.82Å; E64-R67 PolarHBondContact OE2-NE 2.98Å; E64-L68 WeakPolarHBondContact O-CG 3.42Å; E64-L68 PolarHBondContact O-N 2.75Å
65E94.5Very high95.6Very high105 Ų10592 Ų9249%0.49147%0.467SS..Hα-helixtrans-57.1-45.9172.3-72175.5160.600111.4A61 H62 R67 L68 I69A61-E65 WeakPolarHBondContact O-CG 3.48Å; A61-E65 PolarHBondContact O-N 2.85Å; H62-E65 IonicContact CE1-OE2 2.67Å; H62-E65 IonicContact CG-OE2 3.62Å; H62-E65 IonicContact ND1-OE2 3.49Å; H62-E65 PolarHBondContact ND1-OE2 3.34Å; H62-E65 PolarHBondContact O-N 2.99Å; E65-R67 VanDerWaalsContact C-N 3.32Å; E65-R67 PolarHBondContact O-N 3.41Å; E65-L68 PolarHBondContact O-N 3.48Å; E65-I69 WeakPolarHBondContact O-CG1 3.48Å; E65-I69 PolarHBondContact O-N 3.17Å
66L95.1Very high95.6Very high95 Ų9593.3 Ų93.350%0.49747%0.473SS..Hα-helixtrans-59.9-43.4174.2-72.7171000111.1H62 V63 E64 L68 I69 H70H62-L66 WeakPolarHBondContact O-CG 3.33Å; H62-L66 PolarHBondContact O-N 2.95Å; V63-L66 PolarHBondContact O-N 3.43Å; E64-L66 VanDerWaalsContact C-N 3.31Å; E64-L66 PolarHBondContact O-N 2.97Å; L66-L68 VanDerWaalsContact C-N 3.29Å; L66-L68 PolarHBondContact O-N 3.04Å; L66-I69 PolarHBondContact O-N 3.11Å; L66-H70 PolarHBondContact O-N 3.16Å; L66-H70 PolarHBondContact O-ND1 3.38Å
67R95.6Very high95.5Very high131 Ų13194.6 Ų94.649%0.49448%0.476SS..Hα-helixtrans-60-39.9178.5-163.4-168.371.572.63.5112.1V63 E64 E65 H70 A71V63-R67 PolarHBondContact O-N 2.95Å; E64-R67 VanDerWaalsContact CD-NE 3.32Å; E64-R67 WeakPolarHBondContact O-CB 3.37Å; E64-R67 PolarHBondContact O-N 3.33Å; E64-R67 VanDerWaalsContact O-N 3.09Å; E64-R67 IonicContact OE1-CZ 3.98Å; E64-R67 VanDerWaalsContact OE1-CZ 3.27Å; E64-R67 IonicContact OE1-NE 2.69Å; E64-R67 PolarHBondContact OE1-NE 3.12Å; E64-R67 IonicContact OE1-NH2 3.94Å; E64-R67 PolarHBondContact OE1-NH2 2.92Å; E64-R67 WeakPolarHBondContact OE2-CD 3.38Å; E64-R67 IonicContact OE2-CZ 2.85Å; E64-R67 IonicContact OE2-NE 3.82Å; E64-R67 PolarHBondContact OE2-NE 2.98Å; E65-R67 VanDerWaalsContact C-N 3.32Å; E65-R67 PolarHBondContact O-N 3.41Å; R67-H70 PolarHBondContact O-N 3.46Å; R67-A71 PolarHBondContact O-N 3.13Å; R67-A71 VanDerWaalsContact O-N 3.11Å
68L94.3Very high95.4Very high85 Ų8591.8 Ų91.845%0.44547%0.472SS..Hα-helixtrans-66.9-44.6176.7-67.5174.1000111.6E64 E65 L66 H70 A71 D72E64-L68 WeakPolarHBondContact O-CG 3.42Å; E64-L68 PolarHBondContact O-N 2.75Å; E65-L68 PolarHBondContact O-N 3.48Å; L66-L68 VanDerWaalsContact C-N 3.29Å; L66-L68 PolarHBondContact O-N 3.04Å; L68-H70 VanDerWaalsContact C-N 3.3Å; L68-H70 PolarHBondContact O-N 3.01Å; L68-A71 WeakPolarHBondContact O-CA 3.42Å; L68-A71 WeakPolarHBondContact O-CB 3.49Å; L68-A71 PolarHBondContact O-N 3.41Å; L68-D72 PolarHBondContact O-N 3.44Å
69I95.6Very high95.3Very high90 Ų9089.6 Ų89.646%0.46247%0.466SS..Hα-helixtrans-57.4-44.5175.5-67.6165.8000110.8E65 L66 A71 D72 I73E65-I69 WeakPolarHBondContact O-CG1 3.48Å; E65-I69 PolarHBondContact O-N 3.17Å; L66-I69 PolarHBondContact O-N 3.11Å; I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 PolarHBondContact O-N 3.29Å; I69-D72 PolarHBondContact O-N 2.71Å; I69-I73 HydrophobicContact CG2-CD1 3.88Å; I69-I73 HydrophobicContact CG2-CG1 4.44Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.38Å; I69-I73 PolarHBondContact O-N 2.98Å
70H92.6Very high95.2Very high97 Ų9787.4 Ų87.445%0.44946%0.46SS..Hα-helixtrans-62-37.7176-72.887.5000112.2L66 R67 L68 N74L66-H70 PolarHBondContact O-N 3.16Å; L66-H70 PolarHBondContact O-ND1 3.38Å; R67-H70 PolarHBondContact O-N 3.46Å; L68-H70 VanDerWaalsContact C-N 3.3Å; L68-H70 PolarHBondContact O-N 3.01Å; H70-N74 PolarHBondContact O-N 2.98Å; H70-N74 VanDerWaalsContact O-N 3.09Å; H70-N74 PolarHBondContact O-ND2 2.98Å; H70-N74 VanDerWaalsContact O-ND2 3.13Å
71A93.3Very high95.2Very high36 Ų3690.3 Ų90.330%0.29847%0.47SS..Hα-helixtrans-65.1-43176.100000111.7R67 L68 I69 N74 V75R67-A71 PolarHBondContact O-N 3.13Å; R67-A71 VanDerWaalsContact O-N 3.11Å; L68-A71 WeakPolarHBondContact O-CA 3.42Å; L68-A71 WeakPolarHBondContact O-CB 3.49Å; L68-A71 PolarHBondContact O-N 3.41Å; I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 PolarHBondContact O-N 3.29Å; A71-N74 PolarHBondContact O-N 2.92Å; A71-V75 WeakPolarHBondContact O-CG2 3.48Å; A71-V75 PolarHBondContact O-N 3.43Å; A71-V75 VanDerWaalsContact O-N 3.09Å
72D97.3Very high95.2Very high105 Ų10592.4 Ų92.456%0.56147%0.471SS*.Hα-helixtrans-64.2-41.5177.4-68.1-18.9000111.5L68 I69 N74 V75 M76L68-D72 PolarHBondContact O-N 3.44Å; I69-D72 PolarHBondContact O-N 2.71Å; D72-N74 PolarHBondContact O-N 3.04Å; D72-V75 PolarHBondContact O-N 2.87Å; D72-M76 WeakPolarHBondContact O-CG 3.44Å; D72-M76 PolarHBondContact O-N 3.45Å
73I95.1Very high95.2Very high80 Ų8090.4 Ų90.441%0.4147%0.469SS..Hα-helixtrans-56.8-50.8173.7-70.8167000110.2I69 V75 M76 E77I69-I73 HydrophobicContact CG2-CD1 3.88Å; I69-I73 HydrophobicContact CG2-CG1 4.44Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.38Å; I69-I73 PolarHBondContact O-N 2.98Å; I73-V75 VanDerWaalsContact C-N 3.26Å; I73-V75 PolarHBondContact O-N 3.43Å; I73-M76 WeakPolarHBondContact O-CB 3.22Å; I73-M76 PolarHBondContact O-N 2.95Å; I73-E77 HydrophobicContact CG2-CG 4.24Å; I73-E77 WeakPolarHBondContact O-CG 3.36Å; I73-E77 PolarHBondContact O-N 3Å
74N94.6Very high94.9Very high88 Ų8890.6 Ų90.647%0.47147%0.466SS..Hα-helixtrans-60.3-36.2-179.8-68.4-28000112.7H70 A71 D72 S78H70-N74 PolarHBondContact O-N 2.98Å; H70-N74 VanDerWaalsContact O-N 3.09Å; H70-N74 PolarHBondContact O-ND2 2.98Å; H70-N74 VanDerWaalsContact O-ND2 3.13Å; A71-N74 PolarHBondContact O-N 2.92Å; D72-N74 PolarHBondContact O-N 3.04Å; N74-S78 WeakPolarHBondContact O-CB 3.37Å; N74-S78 PolarHBondContact O-N 3.13Å; N74-S78 PolarHBondContact O-OG 3.09Å
75V96.6Very high94.9Very high89 Ų8990.2 Ų90.254%0.53947%0.466SS..Hα-helixtrans-66.8-43.4175.3170.80000110.6A71 D72 I73 S78 T79A71-V75 WeakPolarHBondContact O-CG2 3.48Å; A71-V75 PolarHBondContact O-N 3.43Å; A71-V75 VanDerWaalsContact O-N 3.09Å; D72-V75 PolarHBondContact O-N 2.87Å; I73-V75 VanDerWaalsContact C-N 3.26Å; I73-V75 PolarHBondContact O-N 3.43Å; V75-S78 PolarHBondContact O-N 3.4Å; V75-T79 WeakPolarHBondContact O-CB 3.38Å; V75-T79 PolarHBondContact O-N 2.72Å; V75-T79 PolarHBondContact O-OG1 3Å
76M97.5Very high94.9Very high111 Ų11188.1 Ų88.155%0.54746%0.459SS..Hα-helixtrans-64.5-45.5177.1-72.9-59.5-57.600111.9D72 I73 S78 T79 I80D72-M76 WeakPolarHBondContact O-CG 3.44Å; D72-M76 PolarHBondContact O-N 3.45Å; I73-M76 WeakPolarHBondContact O-CB 3.22Å; I73-M76 PolarHBondContact O-N 2.95Å; M76-S78 VanDerWaalsContact C-N 3.32Å; M76-S78 PolarHBondContact O-N 3.03Å; M76-T79 WeakPolarHBondContact O-CB 3.39Å; M76-T79 PolarHBondContact O-N 3.49Å; M76-T79 VanDerWaalsContact O-N 3.09Å; M76-I80 WeakPolarHBondContact O-CG1 3.4Å; M76-I80 PolarHBondContact O-N 3.36Å
77E95.3Very high94.6Very high114 Ų11486.4 Ų86.453%0.53345%0.45SS..Hα-helixtrans-57.6-45175.5-72.5177.8161.500111.7I73 T79 I80 K81I73-E77 HydrophobicContact CG2-CG 4.24Å; I73-E77 WeakPolarHBondContact O-CG 3.36Å; I73-E77 PolarHBondContact O-N 3Å; E77-T79 VanDerWaalsContact C-N 3.3Å; E77-T79 PolarHBondContact O-N 3.5Å; E77-I80 PolarHBondContact O-N 2.84Å; E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 PolarHBondContact O-N 3.09Å
78S94.4Very high94.2Very high77 Ų7784.8 Ų84.854%0.53845%0.451SS..Hα-helixtrans-62.7-38.7176.5-60.40000111.8N74 V75 M76 Q82N74-S78 WeakPolarHBondContact O-CB 3.37Å; N74-S78 PolarHBondContact O-N 3.13Å; N74-S78 PolarHBondContact O-OG 3.09Å; V75-S78 PolarHBondContact O-N 3.4Å; M76-S78 VanDerWaalsContact C-N 3.32Å; M76-S78 PolarHBondContact O-N 3.03Å; S78-Q82 WeakPolarHBondContact O-CB 3.46Å; S78-Q82 PolarHBondContact O-N 3.11Å
79T97.1Very high94.2Very high69 Ų6986.2 Ų86.242%0.42345%0.453SS..Hα-helixtrans-67.8-42.8178.3-580000111.7V75 M76 E77 Q82 S83V75-T79 WeakPolarHBondContact O-CB 3.38Å; V75-T79 PolarHBondContact O-N 2.72Å; V75-T79 PolarHBondContact O-OG1 3Å; M76-T79 WeakPolarHBondContact O-CB 3.39Å; M76-T79 PolarHBondContact O-N 3.49Å; M76-T79 VanDerWaalsContact O-N 3.09Å; E77-T79 VanDerWaalsContact C-N 3.3Å; E77-T79 PolarHBondContact O-N 3.5Å; T79-Q82 PolarHBondContact O-N 3.37Å; T79-S83 WeakPolarHBondContact O-CB 3.48Å; T79-S83 PolarHBondContact O-N 3.01Å; T79-S83 PolarHBondContact O-OG 2.85Å
80I93.1Very high93.9Very high77 Ų7787.3 Ų87.340%0.39546%0.46SS..Hα-helixtrans-61.4-52.3176.3-69.8167.3000109.2M76 E77 Q82 S83 E84M76-I80 WeakPolarHBondContact O-CG1 3.4Å; M76-I80 PolarHBondContact O-N 3.36Å; E77-I80 PolarHBondContact O-N 2.84Å; I80-Q82 VanDerWaalsContact C-N 3.27Å; I80-Q82 PolarHBondContact O-N 3.26Å; I80-S83 WeakPolarHBondContact O-CA 3.42Å; I80-S83 WeakPolarHBondContact O-CB 3.31Å; I80-S83 PolarHBondContact O-N 3.26Å; I80-E84 HydrophobicContact CG2-CG 4.27Å; I80-E84 WeakPolarHBondContact O-CG 3.19Å; I80-E84 PolarHBondContact O-N 3.43Å
81K95.1Very high93.6Very high138 Ų13884 Ų8460%0.645%0.445SS*.Hα-helixtrans-55.9-41.7178.2-173.3179.8-177.11760112.4E77 N85E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 PolarHBondContact O-N 3.09Å; K81-N85 VanDerWaalsContact O-CG 3.27Å; K81-N85 PolarHBondContact O-N 3.27Å; K81-N85 VanDerWaalsContact O-N 3.13Å; K81-N85 PolarHBondContact O-ND2 3.26Å
82Q96.7Very high93.4Very high97 Ų9786.7 Ų86.745%0.45345%0.452SS..Hα-helixtrans-64-45.1175.5-177.657.246.700111.6S78 T79 I80 E84 N85 D86S78-Q82 WeakPolarHBondContact O-CB 3.46Å; S78-Q82 PolarHBondContact O-N 3.11Å; T79-Q82 PolarHBondContact O-N 3.37Å; I80-Q82 VanDerWaalsContact C-N 3.27Å; I80-Q82 PolarHBondContact O-N 3.26Å; Q82-E84 PolarHBondContact O-N 2.93Å; Q82-N85 WeakPolarHBondContact O-CB 3.17Å; Q82-N85 PolarHBondContact O-N 3.48Å; Q82-D86 VanDerWaalsContact NE2-CG 3.27Å; Q82-D86 PolarHBondContact NE2-OD1 2.82Å; Q82-D86 PolarHBondContact NE2-OD2 3.06Å; Q82-D86 PolarHBondContact O-N 3.09Å
83S93.9Very high93.2Very high68 Ų6885.3 Ų85.348%0.47645%0.447SS..Hα-helixtrans-64.1-40.2179.7-560000112.4T79 I80 D86 L87T79-S83 WeakPolarHBondContact O-CB 3.48Å; T79-S83 PolarHBondContact O-N 3.01Å; T79-S83 PolarHBondContact O-OG 2.85Å; I80-S83 WeakPolarHBondContact O-CA 3.42Å; I80-S83 WeakPolarHBondContact O-CB 3.31Å; I80-S83 PolarHBondContact O-N 3.26Å; S83-D86 PolarHBondContact O-N 3.28Å; S83-L87 WeakPolarHBondContact O-CB 3.41Å; S83-L87 PolarHBondContact O-N 3.39Å
84E91.5Very high92.8Very high68 Ų6884 Ų8432%0.31844%0.443SS..Hα-helixtrans-63.1-41.9174.4-69.4176.4148.100111.7I80 Q82 D86 L87 N88I80-E84 HydrophobicContact CG2-CG 4.27Å; I80-E84 WeakPolarHBondContact O-CG 3.19Å; I80-E84 PolarHBondContact O-N 3.43Å; Q82-E84 PolarHBondContact O-N 2.93Å; E84-D86 VanDerWaalsContact C-N 3.34Å; E84-L87 PolarHBondContact O-N 3.31Å; E84-N88 WeakPolarHBondContact O-CB 3.27Å; E84-N88 PolarHBondContact O-N 3.38Å; E84-N88 PolarHBondContact O-ND2 3.06Å
85N93.8Very high92.4Very high74 Ų7485.1 Ų85.140%0.39644%0.44SS..Hα-helixtrans-62.7-42.3175-74.4-37.7000111.6K81 Q82 N88 K89K81-N85 VanDerWaalsContact O-CG 3.27Å; K81-N85 PolarHBondContact O-N 3.27Å; K81-N85 VanDerWaalsContact O-N 3.13Å; K81-N85 PolarHBondContact O-ND2 3.26Å; Q82-N85 WeakPolarHBondContact O-CB 3.17Å; Q82-N85 PolarHBondContact O-N 3.48Å; N85-N88 PolarHBondContact O-N 3.43Å; N85-K89 WeakPolarHBondContact O-CG 3.35Å; N85-K89 PolarHBondContact O-N 3.26Å; N85-K89 VanDerWaalsContact O-N 3.09Å
86D94.3Very high92.1Very high62 Ų6287.7 Ų87.733%0.33244%0.44SS..Hα-helixtrans-69.7-38.8179.3-67.1-26.7000111.8Q82 S83 E84 N88 K89 L90Q82-D86 VanDerWaalsContact NE2-CG 3.27Å; Q82-D86 PolarHBondContact NE2-OD1 2.82Å; Q82-D86 PolarHBondContact NE2-OD2 3.06Å; Q82-D86 PolarHBondContact O-N 3.09Å; S83-D86 PolarHBondContact O-N 3.28Å; E84-D86 VanDerWaalsContact C-N 3.34Å; D86-N88 VanDerWaalsContact C-N 3.35Å; D86-N88 PolarHBondContact O-N 3.49Å; D86-K89 PolarHBondContact O-N 3.09Å; D86-K89 IonicContact OD1-NZ 2.98Å; D86-K89 PolarHBondContact OD1-NZ 2.99Å; D86-L90 WeakPolarHBondContact O-CG 3.12Å; D86-L90 PolarHBondContact O-N 2.91Å
87L89.3Confident91.8Very high59 Ų5987.2 Ų87.231%0.30944%0.44SS..Hα-helixtrans-58.8-45.9171.5-179.562.1000111.3S83 E84 K89 L90 L91 W142S83-L87 WeakPolarHBondContact O-CB 3.41Å; S83-L87 PolarHBondContact O-N 3.39Å; E84-L87 PolarHBondContact O-N 3.31Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 2.97Å; L87-L90 PolarHBondContact O-N 2.78Å; L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 PolarHBondContact O-N 3.25Å; L87-W142 HydrophobicContact CD2-CH2 4.46Å; L87-W142 HydrophobicContact CD2-CZ2 4.11Å
88N87.2Confident91.4Very high97 Ų9783.3 Ų83.352%0.51942%0.421SS..Hα-helixtrans-60-42.2177.2-79.9-51.3000112.3E84 N85 D86 L91 E92E84-N88 WeakPolarHBondContact O-CB 3.27Å; E84-N88 PolarHBondContact O-N 3.38Å; E84-N88 PolarHBondContact O-ND2 3.06Å; N85-N88 PolarHBondContact O-N 3.43Å; D86-N88 VanDerWaalsContact C-N 3.35Å; D86-N88 PolarHBondContact O-N 3.49Å; N88-L91 PolarHBondContact O-N 3.32Å; N88-E92 WeakPolarHBondContact O-CB 3.39Å; N88-E92 PolarHBondContact O-N 2.85Å
89K93.6Very high91Very high114 Ų11484.2 Ų84.250%0.49642%0.42SS..Hα-helixtrans-62.6-43.2175.4-68.3170-164.4156.80112N85 D86 L87 E92 T93N85-K89 WeakPolarHBondContact O-CG 3.35Å; N85-K89 PolarHBondContact O-N 3.26Å; N85-K89 VanDerWaalsContact O-N 3.09Å; D86-K89 PolarHBondContact O-N 3.09Å; D86-K89 IonicContact OD1-NZ 2.98Å; D86-K89 PolarHBondContact OD1-NZ 2.99Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 2.97Å; K89-E92 PolarHBondContact O-N 2.93Å; K89-T93 WeakPolarHBondContact O-CB 3.45Å; K89-T93 PolarHBondContact O-N 3.4Å; K89-T93 PolarHBondContact O-OG1 3.12Å
90L89.9Confident90.9Very high113 Ų11387.1 Ų87.159%0.59243%0.429SS*.Hα-helixtrans-62.8-45.9176.8-73172.4000110.7D86 L87 E92 T93 T94D86-L90 WeakPolarHBondContact O-CG 3.12Å; D86-L90 PolarHBondContact O-N 2.91Å; L87-L90 PolarHBondContact O-N 2.78Å; L90-E92 VanDerWaalsContact C-N 3.33Å; L90-E92 PolarHBondContact O-N 3.39Å; L90-T93 PolarHBondContact O-N 3.05Å; L90-T94 PolarHBondContact O-N 3.37Å; L90-T94 PolarHBondContact O-OG1 2.95Å
91L86.5Confident90.7Very high27 Ų2786.9 Ų86.914%0.14142%0.424CS..Hα-helixtrans-60.7-43179.3-153.1165.7000111.3L87 N88 R95 F135L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 PolarHBondContact O-N 3.25Å; N88-L91 PolarHBondContact O-N 3.32Å; L91-R95 WeakPolarHBondContact O-CB 3.41Å; L91-R95 PolarHBondContact O-N 3.25Å; L91-F135 HydrophobicContact CD2-CB 4.26Å; L91-F135 HydrophobicContact CD2-CD1 3.64Å; L91-F135 HydrophobicContact CD2-CG 4.41Å; L91-F135 HydrophobicContact CG-CD1 3.96Å
92E89.4Confident90.4Very high93 Ų9386.1 Ų86.144%0.43542%0.42SS..Hα-helixtrans-64.4-42.3174.9-173.5174-168.600112.4N88 K89 L90 R95 R96N88-E92 WeakPolarHBondContact O-CB 3.39Å; N88-E92 PolarHBondContact O-N 2.85Å; K89-E92 PolarHBondContact O-N 2.93Å; L90-E92 VanDerWaalsContact C-N 3.33Å; L90-E92 PolarHBondContact O-N 3.39Å; E92-R95 PolarHBondContact O-N 3.35Å; E92-R96 WeakPolarHBondContact O-CG 3.39Å; E92-R96 PolarHBondContact O-N 3.06Å; E92-R96 IonicContact OE1-CZ 3.27Å; E92-R96 IonicContact OE1-NE 2.71Å; E92-R96 IonicContact OE1-NH2 2.92Å; E92-R96 PolarHBondContact OE1-NH2 3Å
93T91.9Very high90.2Very high77 Ų7784.9 Ų84.947%0.47242%0.421SS..Hα-helixtrans-62.9-47.8177.6-56.50000111.1K89 L90 R95 R96 L97K89-T93 WeakPolarHBondContact O-CB 3.45Å; K89-T93 PolarHBondContact O-N 3.4Å; K89-T93 PolarHBondContact O-OG1 3.12Å; L90-T93 PolarHBondContact O-N 3.05Å; T93-R95 VanDerWaalsContact C-N 3.32Å; T93-R95 PolarHBondContact O-N 3.36Å; T93-R96 PolarHBondContact O-N 3.44Å; T93-L97 HydrophobicContact CG2-CD1 4.27Å; T93-L97 WeakPolarHBondContact O-CG 3.48Å; T93-L97 PolarHBondContact O-N 2.83Å
94T87.9Confident90.2Very high51 Ų5186.7 Ų86.731%0.31343%0.425SS..Hα-helixtrans-61.9-40.8178.1-55.90000111.4L90 L97 H98 L130 F135L90-T94 PolarHBondContact O-N 3.37Å; L90-T94 PolarHBondContact O-OG1 2.95Å; T94-L97 PolarHBondContact O-N 3.13Å; T94-H98 WeakPolarHBondContact O-CB 3.44Å; T94-H98 PolarHBondContact O-N 3.42Å; T94-L130 HydrophobicContact CG2-CD2 4.3Å; T94-F135 HydrophobicContact CG2-CE1 3.63Å; T94-F135 HydrophobicContact CG2-CZ 3.51Å
95R85.6Confident90.3Very high112 Ų11284.4 Ų84.442%0.42341%0.414SS..Hα-helixtrans-60.1-48.3175.5-174.6-176.7-64.1149.93.3111.6L91 E92 T93 L97 H98 D99L91-R95 WeakPolarHBondContact O-CB 3.41Å; L91-R95 PolarHBondContact O-N 3.25Å; E92-R95 PolarHBondContact O-N 3.35Å; T93-R95 VanDerWaalsContact C-N 3.32Å; T93-R95 PolarHBondContact O-N 3.36Å; R95-L97 PolarHBondContact O-N 2.97Å; R95-H98 PolarHBondContact O-N 2.85Å; R95-D99 VanDerWaalsContact O-CG 3.32Å; R95-D99 PolarHBondContact O-N 3.24Å
96R91.3Very high90.3Very high143 Ų14386.4 Ų86.454%0.5442%0.42SS..Hα-helixtrans-59.1-45.4178.3-70.5176.3-171.3-177.42.9111.9E92 T93 H98 D99 E100E92-R96 WeakPolarHBondContact O-CG 3.39Å; E92-R96 PolarHBondContact O-N 3.06Å; E92-R96 IonicContact OE1-CZ 3.27Å; E92-R96 IonicContact OE1-NE 2.71Å; E92-R96 IonicContact OE1-NH2 2.92Å; E92-R96 PolarHBondContact OE1-NH2 3Å; T93-R96 PolarHBondContact O-N 3.44Å; R96-H98 VanDerWaalsContact C-N 3.33Å; R96-H98 PolarHBondContact O-N 3.06Å; R96-D99 PolarHBondContact O-N 3.04Å; R96-E100 WeakPolarHBondContact O-CG 3.25Å; R96-E100 PolarHBondContact O-N 2.96Å
97L90.6Very high90.3Very high102 Ų10289 Ų8953%0.53443%0.43SS..Hα-helixtrans-62.6-39.7176.9-71.6172.2000112.4T93 T94 R95 E100 Y101T93-L97 HydrophobicContact CG2-CD1 4.27Å; T93-L97 WeakPolarHBondContact O-CG 3.48Å; T93-L97 PolarHBondContact O-N 2.83Å; T94-L97 PolarHBondContact O-N 3.13Å; R95-L97 PolarHBondContact O-N 2.97Å; L97-E100 PolarHBondContact O-N 3.49Å; L97-Y101 VanDerWaalsContact O-CB 3.32Å; L97-Y101 WeakPolarHBondContact O-CB 3.38Å; L97-Y101 PolarHBondContact O-N 3.38Å
98H86.3Confident90.6Very high31 Ų3188.8 Ų88.814%0.14443%0.432CS..Hα-helixtrans-64.2-41.7175.5179.5-83.6000111.6T94 R95 R96 E100 Y101 K102T94-H98 WeakPolarHBondContact O-CB 3.44Å; T94-H98 PolarHBondContact O-N 3.42Å; R95-H98 PolarHBondContact O-N 2.85Å; R96-H98 VanDerWaalsContact C-N 3.33Å; R96-H98 PolarHBondContact O-N 3.06Å; H98-E100 VanDerWaalsContact C-N 3.31Å; H98-E100 PolarHBondContact O-N 2.8Å; H98-Y101 PolarHBondContact O-N 2.87Å; H98-K102 PolarHBondContact O-N 2.93Å; H98-K102 VanDerWaalsContact O-N 3.16Å
99D87Confident91Very high97 Ų9784.9 Ų84.952%0.51941%0.411SS..Hα-helixtrans-65.6-32.9176.7-68-20.7000112.4R95 R96 P103R95-D99 VanDerWaalsContact O-CG 3.32Å; R95-D99 PolarHBondContact O-N 3.24Å; R96-D99 PolarHBondContact O-N 3.04Å; D99-P103 WeakPolarHBondContact O-CD 3.38Å
100E93.6Very high91.1Very high130 Ų13082 Ų8261%0.60741%0.408SS*.Hα-helixtrans-74.9-38.8172.8-72.7175.1-156.500112.8R96 L97 H98 P103R96-E100 WeakPolarHBondContact O-CG 3.25Å; R96-E100 PolarHBondContact O-N 2.96Å; L97-E100 PolarHBondContact O-N 3.49Å; H98-E100 VanDerWaalsContact C-N 3.31Å; H98-E100 PolarHBondContact O-N 2.8Å; E100-P103 WeakPolarHBondContact O-CD 3.06Å; E100-P103 WeakPolarHBondContact O-CG 3.3Å
101Y89.8Confident91.4Very high72 Ų7281 Ų8128%0.28240%0.403SS..Hα-helixtrans-62.9-44.7-179.3169.2-92.2000112L97 H98 L104 K105 L123L97-Y101 VanDerWaalsContact O-CB 3.32Å; L97-Y101 WeakPolarHBondContact O-CB 3.38Å; L97-Y101 PolarHBondContact O-N 3.38Å; H98-Y101 PolarHBondContact O-N 2.87Å; Y101-L104 PolarHBondContact O-N 2.84Å; Y101-K105 HydrophobicContact CD1-CB 4.36Å; Y101-K105 HydrophobicContact CE1-CB 3.79Å; Y101-K105 HydrophobicContact CE1-CD 3.74Å; Y101-K105 HydrophobicContact CE1-CG 4.13Å; Y101-K105 HydrophobicContact CE2-CB 4.28Å; Y101-K105 PolarHBondContact O-N 2.99Å; Y101-K105 VanDerWaalsContact OH-CD 3.3Å; Y101-K105 WeakPolarHBondContact OH-CD 3.38Å; Y101-L123 HydrophobicContact CD1-CD1 3.12Å; Y101-L123 HydrophobicContact CD1-CG 3.99Å; Y101-L123 HydrophobicContact CD2-CD1 4.01Å; Y101-L123 HydrophobicContact CE1-CB 4.22Å; Y101-L123 HydrophobicContact CE1-CD1 3.02Å; Y101-L123 HydrophobicContact CE1-CD2 4.45Å; Y101-L123 HydrophobicContact CE1-CG 3.33Å; Y101-L123 HydrophobicContact CE2-CD1 3.95Å; Y101-L123 HydrophobicContact CE2-CD2 4.46Å; Y101-L123 HydrophobicContact CE2-CG 4.12Å; Y101-L123 HydrophobicContact CG-CD1 3.62Å; Y101-L123 VanDerWaalsContact CZ-CD1 3.46Å
102K87.8Confident91.9Very high121 Ų12183.3 Ų83.353%0.52641%0.41SS..Hα-helixtrans-54.6-55.5-173.2-174.9178.3179.7-176.10113.7H98 L104 K105 E106H98-K102 PolarHBondContact O-N 2.93Å; H98-K102 VanDerWaalsContact O-N 3.16Å; K102-L104 VanDerWaalsContact C-N 3.3Å; K102-L104 PolarHBondContact O-N 3.24Å; K102-K105 PolarHBondContact O-N 3.38Å; K102-E106 WeakPolarHBondContact O-CG 3.36Å; K102-E106 PolarHBondContact O-N 2.86Å
103P93.2Very high92.2Very high71 Ų7183.4 Ų83.446%0.46141%0.411SS..Hα-helixtrans-65.9-32.9178.426.7-35.3000112.4D99 E100 E106 H107D99-P103 WeakPolarHBondContact O-CD 3.38Å; E100-P103 WeakPolarHBondContact O-CD 3.06Å; E100-P103 WeakPolarHBondContact O-CG 3.3Å; P103-E106 PolarHBondContact O-N 2.87Å; P103-H107 WeakPolarHBondContact O-CB 3.26Å; P103-H107 PolarHBondContact O-N 2.91Å
104L94.4Very high92.4Very high107 Ų10785 Ų8556%0.5642%0.421SS*.Hα-helixtrans-65.8-44.4177.1-176.363.8000111.4Y101 K102 H107 V108Y101-L104 PolarHBondContact O-N 2.84Å; K102-L104 VanDerWaalsContact C-N 3.3Å; K102-L104 PolarHBondContact O-N 3.24Å; L104-H107 PolarHBondContact O-N 3.44Å; L104-V108 WeakPolarHBondContact O-CG2 3.46Å; L104-V108 PolarHBondContact O-N 2.92Å
105K92.9Very high92.7Very high20 Ų2089 Ų899%0.08744%0.44CS..Hα-helixtrans-59.4-47.9174.2-171.1-161.4-169.1-85.40111Y101 K102 H107 V108 D109 L120 P121 N122Y101-K105 HydrophobicContact CD1-CB 4.36Å; Y101-K105 HydrophobicContact CE1-CB 3.79Å; Y101-K105 HydrophobicContact CE1-CD 3.74Å; Y101-K105 HydrophobicContact CE1-CG 4.13Å; Y101-K105 HydrophobicContact CE2-CB 4.28Å; Y101-K105 PolarHBondContact O-N 2.99Å; Y101-K105 VanDerWaalsContact OH-CD 3.3Å; Y101-K105 WeakPolarHBondContact OH-CD 3.38Å; K102-K105 PolarHBondContact O-N 3.38Å; K105-H107 VanDerWaalsContact C-N 3.25Å; K105-H107 PolarHBondContact O-N 2.78Å; K105-V108 PolarHBondContact O-N 3.24Å; K105-D109 IonicContact NZ-OD2 2.73Å; K105-D109 PolarHBondContact NZ-OD2 2.94Å; K105-D109 WeakPolarHBondContact O-CB 3.4Å; K105-D109 PolarHBondContact O-N 3.16Å; K105-L120 PolarHBondContact NZ-O 2.85Å; K105-P121 WeakPolarHBondContact CE-O 3.41Å; K105-P121 PolarHBondContact NZ-O 2.83Å; K105-N122 PolarHBondContact NZ-OD1 3.02Å
106E92.9Very high93Very high115 Ų11587 Ų8754%0.53745%0.453SS..Hα-helixtrans-57.6-41177.9-73172.3-174.100111.3K102 P103 A110K102-E106 WeakPolarHBondContact O-CG 3.36Å; K102-E106 PolarHBondContact O-N 2.86Å; P103-E106 PolarHBondContact O-N 2.87Å; E106-A110 WeakPolarHBondContact O-CB 3.44Å; E106-A110 PolarHBondContact O-N 3.27Å
107H96Very high93.2Very high117 Ų11784.2 Ų84.254%0.54245%0.449SS..Hα-helixtrans-66.3-44.7175.7-172.263.7000112.8P103 L104 K105 A110 L111P103-H107 WeakPolarHBondContact O-CB 3.26Å; P103-H107 PolarHBondContact O-N 2.91Å; L104-H107 PolarHBondContact O-N 3.44Å; K105-H107 VanDerWaalsContact C-N 3.25Å; K105-H107 PolarHBondContact O-N 2.78Å; H107-A110 WeakPolarHBondContact O-CB 3.07Å; H107-A110 PolarHBondContact O-N 2.98Å; H107-L111 WeakPolarHBondContact O-CG 3.37Å; H107-L111 PolarHBondContact O-N 2.67Å
108V95.3Very high93.2Very high55 Ų5587.3 Ų87.333%0.33346%0.46SS..Hα-helixtrans-61-45.8175.91690000110.8L104 K105 A110 L111 R112 L120L104-V108 WeakPolarHBondContact O-CG2 3.46Å; L104-V108 PolarHBondContact O-N 2.92Å; K105-V108 PolarHBondContact O-N 3.24Å; V108-A110 VanDerWaalsContact C-N 3.32Å; V108-A110 PolarHBondContact O-N 3.09Å; V108-L111 PolarHBondContact O-N 3.39Å; V108-R112 HydrophobicContact CG1-CG 4.39Å; V108-R112 VanDerWaalsContact O-CG 3.3Å; V108-R112 WeakPolarHBondContact O-CG 3.18Å; V108-R112 PolarHBondContact O-N 2.93Å; V108-L120 HydrophobicContact CG1-CD1 3.95Å
109D95Very high93.3Very high15 Ų1594.2 Ų94.28%0.0849%0.485CS..Hα-helixtrans-62.1-40.5176.9-80.7-26.7000111.3K105 L111 R112 M113 R119 L120K105-D109 IonicContact NZ-OD2 2.73Å; K105-D109 PolarHBondContact NZ-OD2 2.94Å; K105-D109 WeakPolarHBondContact O-CB 3.4Å; K105-D109 PolarHBondContact O-N 3.16Å; D109-L111 PolarHBondContact O-N 2.98Å; D109-R112 PolarHBondContact O-N 3.44Å; D109-M113 VanDerWaalsContact O-CG 3.25Å; D109-M113 WeakPolarHBondContact O-CG 3.49Å; D109-M113 PolarHBondContact O-N 3.45Å; D109-R119 HydrophobicContact CB-CG 4.29Å; D109-R119 WeakPolarHBondContact OD1-CA 3.46Å; D109-L120 PolarHBondContact OD1-N 2.86Å
110A95.7Very high93.3Very high54 Ų5492.9 Ų92.945%0.44648%0.477SS..Hα-helixtrans-59.1-47174.400000111.7E106 H107 V108 M113 T114E106-A110 WeakPolarHBondContact O-CB 3.44Å; E106-A110 PolarHBondContact O-N 3.27Å; H107-A110 WeakPolarHBondContact O-CB 3.07Å; H107-A110 PolarHBondContact O-N 2.98Å; V108-A110 VanDerWaalsContact C-N 3.32Å; V108-A110 PolarHBondContact O-N 3.09Å; A110-M113 PolarHBondContact O-N 3.42Å; A110-T114 WeakPolarHBondContact O-CG2 3.32Å; A110-T114 PolarHBondContact O-N 3.47Å
111L96.1Very high92.8Very high91 Ų9189.6 Ų89.648%0.47647%0.468SS..Hα-helixtrans-62.2-43.6176.7-68.4168.5000111.9H107 V108 D109 M113 T114 L115H107-L111 WeakPolarHBondContact O-CG 3.37Å; H107-L111 PolarHBondContact O-N 2.67Å; V108-L111 PolarHBondContact O-N 3.39Å; D109-L111 PolarHBondContact O-N 2.98Å; L111-M113 VanDerWaalsContact C-N 3.3Å; L111-M113 PolarHBondContact O-N 2.84Å; L111-T114 PolarHBondContact O-N 3.3Å; L111-T114 VanDerWaalsContact O-N 3.15Å; L111-T114 PolarHBondContact O-OG1 3.26Å; L111-L115 PolarHBondContact O-N 2.91Å
112R96.6Very high92.1Very high75 Ų7589.9 Ų89.928%0.28347%0.474SS..Hα-helixtrans-58.2-42.9176.3-72.8175.569.387.81.3111.9V108 D109 T114 L115 G116 L117 H118V108-R112 HydrophobicContact CG1-CG 4.39Å; V108-R112 VanDerWaalsContact O-CG 3.3Å; V108-R112 WeakPolarHBondContact O-CG 3.18Å; V108-R112 PolarHBondContact O-N 2.93Å; D109-R112 PolarHBondContact O-N 3.44Å; R112-T114 VanDerWaalsContact C-N 3.33Å; R112-T114 PolarHBondContact O-N 3.4Å; R112-L115 PolarHBondContact O-N 3.4Å; R112-L115 VanDerWaalsContact O-N 3.12Å; R112-G116 PolarHBondContact O-N 3.47Å; R112-L117 HydrophobicContact CB-CB 4.13Å; R112-L117 WeakPolarHBondContact O-CB 3.36Å; R112-L117 PolarHBondContact O-N 2.88Å; R112-H118 PolarHBondContact NE-O 2.88Å; R112-H118 PolarHBondContact NH2-O 3.23Å
113M95.6Very high91.3Very high96 Ų9686 Ų8647%0.47346%0.459SS..Hα-helixtrans-64-35.7177.9-69.2-61.8-55.400112.4D109 A110 L111 L115 G116 R119D109-M113 VanDerWaalsContact O-CG 3.25Å; D109-M113 WeakPolarHBondContact O-CG 3.49Å; D109-M113 PolarHBondContact O-N 3.45Å; A110-M113 PolarHBondContact O-N 3.42Å; L111-M113 VanDerWaalsContact C-N 3.3Å; L111-M113 PolarHBondContact O-N 2.84Å; M113-L115 PolarHBondContact O-N 3.37Å; M113-G116 PolarHBondContact O-N 2.88Å; M113-R119 HydrophobicContact CG-CG 4.32Å; M113-R119 HydrophobicContact SD-CG 3.97Å
114T96Very high89.9Confident111 Ų11186.3 Ų86.368%0.68146%0.456SS*.Hα-helixtrans-62.9-23.9175.466.80000113.3A110 L111 R112A110-T114 WeakPolarHBondContact O-CG2 3.32Å; A110-T114 PolarHBondContact O-N 3.47Å; L111-T114 PolarHBondContact O-N 3.3Å; L111-T114 VanDerWaalsContact O-N 3.15Å; L111-T114 PolarHBondContact O-OG1 3.26Å; R112-T114 VanDerWaalsContact C-N 3.33Å; R112-T114 PolarHBondContact O-N 3.4Å
115L95.3Very high88.4Confident135 Ų13587.4 Ų87.471%0.70746%0.459SS*.THydrogen-bonded Turntrans-96.65.3177.4-61174.7000113.1L111 R112 M113 L117L111-L115 PolarHBondContact O-N 2.91Å; R112-L115 PolarHBondContact O-N 3.4Å; R112-L115 VanDerWaalsContact O-N 3.12Å; M113-L115 PolarHBondContact O-N 3.37Å; L115-L117 VanDerWaalsContact C-N 3.29Å; L115-L117 HydrophobicContact CB-CG 4.34Å; L115-L117 PolarHBondContact O-N 2.96Å
116G92.8Very high86.8Confident68 Ų6892.4 Ų92.470%0.70148%0.482SS*.THydrogen-bonded Turntrans73.415.3-177.600000114.8R112 M113R112-G116 PolarHBondContact O-N 3.47Å; M113-G116 PolarHBondContact O-N 2.88Å
117L94.5Very high85.4Confident85 Ų8592.3 Ų92.345%0.44548%0.482SS..PPolyproline II helixtrans-87.9148.6176.2-59176.7000111.1R112 L115R112-L117 HydrophobicContact CB-CB 4.13Å; R112-L117 WeakPolarHBondContact O-CB 3.36Å; R112-L117 PolarHBondContact O-N 2.88Å; L115-L117 VanDerWaalsContact C-N 3.29Å; L115-L117 HydrophobicContact CB-CG 4.34Å; L115-L117 PolarHBondContact O-N 2.96Å
118H89.8Confident83.5Confident167 Ų16795.1 Ų95.177%0.77350%0.496SS*.PPolyproline II helixtrans-67.7150.6173.5-68.7-64.7000112.3R112R112-H118 PolarHBondContact NE-O 2.88Å; R112-H118 PolarHBondContact NH2-O 3.23Å
119R90Very high81.8Confident177 Ų177101 Ų10167%0.66852%0.516SS*.PPolyproline II helixtrans-59.4151.7173.3-63.1-175-178.4179.4-1.9111.5D109 M113D109-R119 HydrophobicContact CB-CG 4.29Å; D109-R119 WeakPolarHBondContact OD1-CA 3.46Å; M113-R119 HydrophobicContact CG-CG 4.32Å; M113-R119 HydrophobicContact SD-CG 3.97Å
120L85.9Confident80.1Confident68 Ų68102.1 Ų102.136%0.35652%0.522SS..PPolyproline II helixtrans-75.7149.7172.4-64.7174.4000110.7K105 V108 D109K105-L120 PolarHBondContact NZ-O 2.85Å; V108-L120 HydrophobicContact CG1-CD1 3.95Å; D109-L120 PolarHBondContact OD1-N 2.86Å
121P83.5Confident78.4Confident62 Ų62101.6 Ų101.640%0.40352%0.516SS..PPolyproline II helixtrans-52.1153.1171.7-24.234.2000112.4K105 E126K105-P121 WeakPolarHBondContact CE-O 3.41Å; K105-P121 PolarHBondContact NZ-O 2.83Å; P121-E126 HydrophobicContact CB-CG 4.18Å
122N76.1Confident76.5Confident78 Ų78102.5 Ų102.542%0.41752%0.52SS..PPolyproline II helixtrans-79.1148.1176.2-62.6-50.4000110.8K105 N124 E125 E126K105-N122 PolarHBondContact NZ-OD1 3.02Å; N122-N124 PolarHBondContact O-N 3.18Å; N122-N124 VanDerWaalsContact O-N 3.15Å; N122-E125 HydrophobicContact CB-CG 4.12Å; N122-E125 PolarHBondContact N-OE2 2.79Å; N122-E125 PolarHBondContact ND2-OE1 3.43Å; N122-E125 WeakPolarHBondContact O-CA 3.2Å; N122-E125 VanDerWaalsContact O-CB 3.31Å; N122-E125 WeakPolarHBondContact O-CB 3.42Å; N122-E125 PolarHBondContact O-N 3.39Å; N122-E126 PolarHBondContact O-N 3.03Å
123L70.6Confident74.7Confident38 Ų38102.7 Ų102.720%0.19953%0.527CS..Hα-helixtrans-54.6-37.1177.9-87.9175.4000112.6Y101 E125 E126 E127Y101-L123 HydrophobicContact CD1-CD1 3.12Å; Y101-L123 HydrophobicContact CD1-CG 3.99Å; Y101-L123 HydrophobicContact CD2-CD1 4.01Å; Y101-L123 HydrophobicContact CE1-CB 4.22Å; Y101-L123 HydrophobicContact CE1-CD1 3.02Å; Y101-L123 HydrophobicContact CE1-CD2 4.45Å; Y101-L123 HydrophobicContact CE1-CG 3.33Å; Y101-L123 HydrophobicContact CE2-CD1 3.95Å; Y101-L123 HydrophobicContact CE2-CD2 4.46Å; Y101-L123 HydrophobicContact CE2-CG 4.12Å; Y101-L123 HydrophobicContact CG-CD1 3.62Å; Y101-L123 VanDerWaalsContact CZ-CD1 3.46Å; L123-E125 PolarHBondContact O-N 3.27Å; L123-E126 PolarHBondContact O-N 3.47Å; L123-E126 VanDerWaalsContact O-N 3.14Å; L123-E127 PolarHBondContact O-N 2.96Å
124N63.7Low73.2Confident78 Ų78104 Ų10442%0.41753%0.527SS..Hα-helixtrans-68.2-19.7178.6-65.914.9000113.2N122N122-N124 PolarHBondContact O-N 3.18Å; N122-N124 VanDerWaalsContact O-N 3.15Å
125E61.3Low71.5Confident131 Ų13199.4 Ų99.461%0.61250%0.498SS*.Hα-helixtrans-83.7-25.5175.1-63.2161.2-168.500111.1N122 L123N122-E125 HydrophobicContact CB-CG 4.12Å; N122-E125 PolarHBondContact N-OE2 2.79Å; N122-E125 PolarHBondContact ND2-OE1 3.43Å; N122-E125 WeakPolarHBondContact O-CA 3.2Å; N122-E125 VanDerWaalsContact O-CB 3.31Å; N122-E125 WeakPolarHBondContact O-CB 3.42Å; N122-E125 PolarHBondContact O-N 3.39Å; L123-E125 PolarHBondContact O-N 3.27Å
126E61.3Low69.8Low124 Ų124100 Ų10058%0.57950%0.497SS*.Hα-helixtrans-91.6-35.4178.5-65.4-176.4150.900112.3P121 N122 L123P121-E126 HydrophobicContact CB-CG 4.18Å; N122-E126 PolarHBondContact O-N 3.03Å; L123-E126 PolarHBondContact O-N 3.47Å; L123-E126 VanDerWaalsContact O-N 3.14Å
127E62.3Low68.2Low113 Ų113102.7 Ų102.753%0.52849%0.489SS..  trans-136.592.5177.5-76.3-175.6172.800111L123 K129 L130L123-E127 PolarHBondContact O-N 2.96Å; E127-K129 PolarHBondContact O-N 3.41Å; E127-L130 HydrophobicContact CB-CB 4.43Å; E127-L130 HydrophobicContact CB-CD1 3.98Å; E127-L130 HydrophobicContact CB-CG 4.32Å; E127-L130 PolarHBondContact O-N 3Å; E127-L130 WeakPolarHBondContact OE2-CD1 3.44Å
128E57Low66.6Low177 Ų177100.7 Ų100.783%0.82748%0.478SS*.G310 helixtrans-54-23.7179.2-166175.3-164.800113.2
129K58.2Low65Low178 Ų17899.3 Ų99.377%0.77447%0.47SS*.G310 helixtrans-77.6-16.8178.9-66.1-178.1-178.5176.70114.7E127 S131E127-K129 PolarHBondContact O-N 3.41Å; K129-S131 PolarHBondContact O-N 2.87Å
130L59.5Low63.5Low38 Ų3893.7 Ų93.720%0.19946%0.461CS..G310 helixtrans-84.19.2177.4-84.1171.5000113.3T94 E127 L132 F135T94-L130 HydrophobicContact CG2-CD2 4.3Å; E127-L130 HydrophobicContact CB-CB 4.43Å; E127-L130 HydrophobicContact CB-CD1 3.98Å; E127-L130 HydrophobicContact CB-CG 4.32Å; E127-L130 PolarHBondContact O-N 3Å; E127-L130 WeakPolarHBondContact OE2-CD1 3.44Å; L130-L132 PolarHBondContact O-N 3.23Å; L130-F135 HydrophobicContact CD2-CZ 4.27Å
131S60.5Low62.1Low44 Ų4497 Ų9731%0.30848%0.475SS..  trans-58.6136.4174.4-1760000111.4K129 D133 Y134K129-S131 PolarHBondContact O-N 2.87Å; S131-D133 PolarHBondContact O-N 2.91Å; S131-Y134 VanDerWaalsContact O-CB 3.23Å; S131-Y134 WeakPolarHBondContact O-CB 3.42Å; S131-Y134 PolarHBondContact O-N 3.27Å
132L56.8Low60.8Low110 Ų110100.5 Ų100.558%0.57648%0.48SS*.Hα-helixtrans-48.6-31.2175.5-78.3159.9000113L130 Y134 F135 E136L130-L132 PolarHBondContact O-N 3.23Å; L132-Y134 VanDerWaalsContact C-N 3.26Å; L132-Y134 PolarHBondContact O-N 2.9Å; L132-F135 PolarHBondContact O-N 2.99Å; L132-F135 VanDerWaalsContact O-N 3.16Å; L132-E136 PolarHBondContact O-N 3.15Å
133D58.3Low59.7Low78 Ų78104.6 Ų104.642%0.41750%0.497SS..Hα-helixtrans-63.3-27.2178.3-145.849000113.2S131 K137S131-D133 PolarHBondContact O-N 2.91Å; D133-K137 WeakPolarHBondContact O-CB 3.37Å; D133-K137 PolarHBondContact O-N 3.23Å; D133-K137 VanDerWaalsContact O-N 3.12Å; D133-K137 IonicContact OD2-NZ 2.8Å; D133-K137 PolarHBondContact OD2-NZ 3.31Å
134Y64.6Low58.8Low123 Ų123111.1 Ų111.148%0.48252%0.523SS..Hα-helixtrans-66-39.9174.5179-103.7000111.7S131 L132 Q138S131-Y134 VanDerWaalsContact O-CB 3.23Å; S131-Y134 WeakPolarHBondContact O-CB 3.42Å; S131-Y134 PolarHBondContact O-N 3.27Å; L132-Y134 VanDerWaalsContact C-N 3.26Å; L132-Y134 PolarHBondContact O-N 2.9Å; Y134-Q138 HydrophobicContact CE2-CG 4.2Å; Y134-Q138 WeakPolarHBondContact O-CB 3.33Å; Y134-Q138 WeakPolarHBondContact O-CG 3.32Å; Y134-Q138 PolarHBondContact O-N 3.21Å
135F59Low57.9Low16 Ų16114.9 Ų114.97%0.0754%0.539CS..Hα-helixtrans-75.4-30.3-177.5-61.3-78.8000113L91 T94 L130 L132L91-F135 HydrophobicContact CD2-CB 4.26Å; L91-F135 HydrophobicContact CD2-CD1 3.64Å; L91-F135 HydrophobicContact CD2-CG 4.41Å; L91-F135 HydrophobicContact CG-CD1 3.96Å; T94-F135 HydrophobicContact CG2-CE1 3.63Å; T94-F135 HydrophobicContact CG2-CZ 3.51Å; L130-F135 HydrophobicContact CD2-CZ 4.27Å; L132-F135 PolarHBondContact O-N 2.99Å; L132-F135 VanDerWaalsContact O-N 3.16Å
136E60Low57.2Low148 Ų148114.1 Ų114.169%0.69255%0.545SS*.Hα-helixtrans-80.7-40.9176.9-73.7-174.3161.700112.4L132 K139L132-E136 PolarHBondContact O-N 3.15Å; E136-K139 PolarHBondContact O-N 3.23Å
137K60.1Low56.4Low123 Ų123116 Ų11654%0.53555%0.554SS.*Hα-helixtrans-63.6-43.4175.6-87.2173.2176.4144.10113.1D133 K139 A140 E141D133-K137 WeakPolarHBondContact O-CB 3.37Å; D133-K137 PolarHBondContact O-N 3.23Å; D133-K137 VanDerWaalsContact O-N 3.12Å; D133-K137 IonicContact OD2-NZ 2.8Å; D133-K137 PolarHBondContact OD2-NZ 3.31Å; K137-K139 PolarHBondContact O-N 3.46Å; K137-A140 PolarHBondContact O-N 3.36Å; K137-A140 VanDerWaalsContact O-N 3.15Å; K137-E141 PolarHBondContact O-N 2.96Å
138Q59.3Low55.7Low44 Ų44118.8 Ų118.821%0.20657%0.566CS.*Hα-helixtrans-64-21177.8-83.4-83.6-34.300113.4Y134Y134-Q138 HydrophobicContact CE2-CG 4.2Å; Y134-Q138 WeakPolarHBondContact O-CB 3.33Å; Y134-Q138 WeakPolarHBondContact O-CG 3.32Å; Y134-Q138 PolarHBondContact O-N 3.21Å
139K57.3Low55.3Low137 Ų137115.9 Ų115.960%0.59656%0.563SS**Hα-helixtrans-81.4-30.2175.3-166.4178.9176.5-173.70112.4E136 K137E136-K139 PolarHBondContact O-N 3.23Å; K137-K139 PolarHBondContact O-N 3.46Å
140A57.6Low55.2Low60 Ų60111.1 Ų111.150%0.49656%0.557SS.*Hα-helixtrans-87-30.3-172.600000114K137K137-A140 PolarHBondContact O-N 3.36Å; K137-A140 VanDerWaalsContact O-N 3.15Å
141E56.7Low55.1Low136 Ų136114.7 Ų114.764%0.63658%0.575SS**Hα-helixtrans-75.4-34.7-179.9-75.2-177153.300112.9K137 K144K137-E141 PolarHBondContact O-N 2.96Å; E141-K144 PolarHBondContact O-N 3.21Å
142W56.3Low55.2Low136 Ų136116.1 Ų116.152%0.51558%0.583SS.*Hα-helixtrans-80.7-20.7-174.4-64.471.9000113.9L87 K144L87-W142 HydrophobicContact CD2-CH2 4.46Å; L87-W142 HydrophobicContact CD2-CZ2 4.11Å; W142-K144 PolarHBondContact O-N 3.45Å
143Q54.1Low55.3Low165 Ų165119.4 Ų119.477%0.77160%0.595SS**THydrogen-bonded Turntrans-78.4-4.6173.5-70.4-159.7-33.200113.6
144K50.3Low55.3Low174 Ų174119.8 Ų119.876%0.75760%0.604SS**  trans-106.353178.5-69.4-174.4-179.2175.70111.5E141 W142E141-K144 PolarHBondContact O-N 3.21Å; W142-K144 PolarHBondContact O-N 3.45Å
145E45.7Very low55.1Low158 Ų158119.1 Ų119.174%0.73861%0.609SS**  trans-75.8132.8160.3-109.3-161.6154.900109.8H147E145-H147 PolarHBondContact O-N 2.95Å
146P46.9Very low55.3Low114 Ų114121.1 Ų121.174%0.7463%0.628SS**  trans-68.4118.717210.5-1000108.8E148P146-E148 PolarHBondContact O-N 3.44Å
147H43.7Very low55.4Low165 Ų165117 Ų11776%0.76462%0.619SS**  trans-50.3108.1166.8-177.663.7000109.5E145E145-H147 PolarHBondContact O-N 2.95Å
148E48.9Very low55.5Low170 Ų170113.9 Ų113.979%0.79462%0.617SS**PPolyproline II helixtrans-57.5135.5163.9-88.2-170.1152.600108P146 A150P146-E148 PolarHBondContact O-N 3.44Å; E148-A150 PolarHBondContact O-N 3.41Å
149P47.5Very low55.7Low117 Ų117114.5 Ų114.576%0.7663%0.629SS**PPolyproline II helixtrans-59.7120179.425-31.3000108.2I151P149-I151 PolarHBondContact O-N 3.23Å
150A56.4Low56Low77 Ų77110.3 Ų110.364%0.63662%0.62SS**PPolyproline II helixtrans-46.3129.3175.200000109.8E148 P152E148-A150 PolarHBondContact O-N 3.41Å; A150-P152 VanDerWaalsContact O-N 3.16Å
151I57.5Low56.2Low113 Ų113109.9 Ų109.958%0.57962%0.617SS**PPolyproline II helixtrans-51.6124.9177-51.3174.2000107P149 E153 L155P149-I151 PolarHBondContact O-N 3.23Å; I151-E153 PolarHBondContact O-N 2.94Å; I151-L155 HydrophobicContact CG2-CB 3.86Å; I151-L155 HydrophobicContact CG2-CD1 4.14Å
152P61.6Low56.3Low75 Ų75105.6 Ų105.649%0.48760%0.604SS.*PPolyproline II helixtrans-50132.8-177.6-28.632.9000111.1A150 S154 L155A150-P152 VanDerWaalsContact O-N 3.16Å; P152-S154 PolarHBondContact O-N 3.32Å; P152-L155 HydrophobicContact CG-CD1 4.35Å; P152-L155 PolarHBondContact O-N 3.43Å
153E58.7Low56.5Low178 Ų178105.2 Ų105.283%0.83261%0.608SS**Hα-helixtrans-49.4-27.6-179.3-119.9172171.300113I151 L155 A156 A157I151-E153 PolarHBondContact O-N 2.94Å; E153-L155 PolarHBondContact O-N 2.99Å; E153-A156 PolarHBondContact O-N 2.85Å; E153-A157 VanDerWaalsContact O-CB 3.22Å; E153-A157 WeakPolarHBondContact O-CB 3.4Å; E153-A157 PolarHBondContact O-N 3.16Å
154S59Low56.6Low87 Ų87105 Ų10561%0.60861%0.607SS**Hα-helixtrans-63.6-35.2175.258.80000114.3P152 A158P152-S154 PolarHBondContact O-N 3.32Å; S154-A158 WeakPolarHBondContact O-CB 3.35Å; S154-A158 PolarHBondContact O-N 3.12Å; S154-A158 VanDerWaalsContact O-N 3.12Å
155L59.9Low56.8Low109 Ų109104.3 Ų104.357%0.57161%0.611SS**Hα-helixtrans-77.4-39176.8-82.9153.9000111.3I151 P152 E153 A158 A159I151-L155 HydrophobicContact CG2-CB 3.86Å; I151-L155 HydrophobicContact CG2-CD1 4.14Å; P152-L155 HydrophobicContact CG-CD1 4.35Å; P152-L155 PolarHBondContact O-N 3.43Å; E153-L155 PolarHBondContact O-N 2.99Å; L155-A158 PolarHBondContact O-N 3.16Å; L155-A159 PolarHBondContact O-N 3.33Å; L155-A159 VanDerWaalsContact O-N 3.11Å
156A64.8Low57.2Low58 Ų58101.7 Ų101.748%0.47960%0.598SS.*Hα-helixtrans-65.4-42.3174.200000111.8E153 A159 A160E153-A156 PolarHBondContact O-N 2.85Å; A156-A159 PolarHBondContact O-N 2.99Å; A156-A160 PolarHBondContact O-N 2.89Å
157A61.6Low57.1Low60 Ų60101.6 Ų101.650%0.49660%0.596SS.*Hα-helixtrans-65.8-37.1175.500000112.5E153 A160 A161E153-A157 VanDerWaalsContact O-CB 3.22Å; E153-A157 WeakPolarHBondContact O-CB 3.4Å; E153-A157 PolarHBondContact O-N 3.16Å; A157-A160 PolarHBondContact O-N 3.47Å; A157-A161 WeakPolarHBondContact O-CB 3.23Å; A157-A161 PolarHBondContact O-N 3.4Å
158A61.1Low57.1Low59 Ų5999.5 Ų99.549%0.48860%0.6SS.*Hα-helixtrans-64.9-38.6175.100000112.3S154 L155 A162S154-A158 WeakPolarHBondContact O-CB 3.35Å; S154-A158 PolarHBondContact O-N 3.12Å; S154-A158 VanDerWaalsContact O-N 3.12Å; L155-A158 PolarHBondContact O-N 3.16Å; A158-A162 WeakPolarHBondContact O-CB 3.02Å; A158-A162 PolarHBondContact O-N 2.95Å; A158-A162 VanDerWaalsContact O-N 3.08Å
159A63.3Low57Low56 Ų56102.9 Ų102.946%0.46361%0.605SS.*Hα-helixtrans-65.6-41.3173.700000112L155 A156 A162 Q163L155-A159 PolarHBondContact O-N 3.33Å; L155-A159 VanDerWaalsContact O-N 3.11Å; A156-A159 PolarHBondContact O-N 2.99Å; A159-A162 PolarHBondContact O-N 3.43Å; A159-Q163 WeakPolarHBondContact O-CG 3.01Å; A159-Q163 PolarHBondContact O-N 3.06Å
160A65.3Low56.9Low49 Ų49106.2 Ų106.241%0.40561%0.608SS.*Hα-helixtrans-68.3-38.5176.100000113A156 A157 A162 Q163 Q164A156-A160 PolarHBondContact O-N 2.89Å; A157-A160 PolarHBondContact O-N 3.47Å; A160-A162 VanDerWaalsContact C-N 3.33Å; A160-A162 PolarHBondContact O-N 3.17Å; A160-Q163 WeakPolarHBondContact O-CB 3.41Å; A160-Q163 PolarHBondContact O-N 2.82Å; A160-Q164 PolarHBondContact O-N 2.97Å
161A61.1Low56.2Low52 Ų52111.3 Ų111.343%0.4362%0.618SS.*Hα-helixtrans-66.7-34.7176.300000112.3A157 Q163 Q164A157-A161 WeakPolarHBondContact O-CB 3.23Å; A157-A161 PolarHBondContact O-N 3.4Å; A161-Q163 VanDerWaalsContact C-N 3.26Å; A161-Q163 PolarHBondContact O-N 2.8Å; A161-Q164 PolarHBondContact O-N 3.36Å
162A59.4Low55.3Low45 Ų45113.5 Ų113.537%0.37263%0.631SS.*Hα-helixtrans-64.4-30.117400000112.7A158 A159 A160A158-A162 WeakPolarHBondContact O-CB 3.02Å; A158-A162 PolarHBondContact O-N 2.95Å; A158-A162 VanDerWaalsContact O-N 3.08Å; A159-A162 PolarHBondContact O-N 3.43Å; A160-A162 VanDerWaalsContact C-N 3.33Å; A160-A162 PolarHBondContact O-N 3.17Å
163Q59.8Low54.3Low128 Ų128114 Ų11460%0.59864%0.642SS**Hα-helixtrans-72.3-31.8175.4-67.6173.7-5.500112.7A159 A160 A161 L165 Q166A159-Q163 WeakPolarHBondContact O-CG 3.01Å; A159-Q163 PolarHBondContact O-N 3.06Å; A160-Q163 WeakPolarHBondContact O-CB 3.41Å; A160-Q163 PolarHBondContact O-N 2.82Å; A161-Q163 VanDerWaalsContact C-N 3.26Å; A161-Q163 PolarHBondContact O-N 2.8Å; Q163-L165 VanDerWaalsContact C-N 3.34Å; Q163-L165 PolarHBondContact O-N 2.9Å; Q163-Q166 PolarHBondContact O-N 3.19Å
164Q56.4Low53.9Low162 Ų162117 Ų11776%0.75765%0.646SS**Hα-helixtrans-70.8-28.1179.6-73.1-172.1-10.700113.3A160 A161 Q166A160-Q164 PolarHBondContact O-N 2.97Å; A161-Q164 PolarHBondContact O-N 3.36Å; Q164-Q166 PolarHBondContact O-N 3.41Å
165L54Low53.1Low158 Ų158121.8 Ų121.883%0.82766%0.658SS**THydrogen-bonded Turntrans-72.5-8.2175.4-78.8156.6000113.7Q163Q163-L165 VanDerWaalsContact C-N 3.34Å; Q163-L165 PolarHBondContact O-N 2.9Å
166Q54.2Low52.3Low103 Ų103124 Ų12448%0.48168%0.677SS.*THydrogen-bonded Turntrans-102-2.3-176.1-69.1-175.3-25.900114.7M60 Q163 Q164 S168M60-Q166 PolarHBondContact SD-NE2 3.27Å; Q163-Q166 PolarHBondContact O-N 3.19Å; Q164-Q166 PolarHBondContact O-N 3.41Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 3.02Å
167V45.1Very low51.3Low112 Ų112124.6 Ų124.668%0.67968%0.681SS**THydrogen-bonded Turntrans-76.2-12.9-173.4-170.40000113.6
168S43.3Very low50.6Low122 Ų122128.5 Ų128.585%0.85370%0.699SS**THydrogen-bonded Turntrans-90.56.8-179.2-64.10000116Q166Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 3.02Å
169R47.6Very low49.9Very low240 Ų240134.5 Ų134.591%0.90671%0.714SS**  trans-141.682.4171.1-79.2-173.7172.5176.2-2.9111.2
170K44.8Very low49.3Very low187 Ų187142.7 Ų142.781%0.81373%0.733SS**  trans-111.1118.9158.3-80.3-170.2175.1-178.20109.1
171Q41.3Very low48.6Very low184 Ų184149.1 Ų149.186%0.8676%0.755SS**  -180116.2119.9-96.1169.23.600110.1
172D38.2Very low48.3Very low159 Ų159155.1 Ų155.185%0.8577%0.774SS**  trans153.192.2143.9-84.3-39.4000108.1
173A42.3Very low48.4Very low86 Ų86158.2 Ų158.271%0.71179%0.791SS**  72.8106.184.100000113.6
174R49.3Very low48.8Very low241 Ų241156 Ų15691%0.90979%0.788SS**  trans50.7109.8146.3-78.2175.3164.5170.2-5.1117.6
175Q42.4Very low49.7Very low188 Ų188152.5 Ų152.588%0.87978%0.778SS**  -156.3108.3123.9-105.7159.158.500109.6A177Q175-A177 PolarHBondContact O-N 3.26Å
176T43.9Very low51.3Low156 Ų156149.4 Ų149.496%0.95776%0.761SS**  trans-61.385.8157.737.70000108.1
177A42.5Very low52.9Low69 Ų69146.7 Ų146.757%0.5775%0.747SS**  trans-94.5113163.100000107Q175 F179Q175-A177 PolarHBondContact O-N 3.26Å; A177-F179 PolarHBondContact O-N 3.34Å
178T48.3Very low55Low142 Ų142144.2 Ų144.287%0.87174%0.739SS**  trans-57.479.9159.141.80000108.8R180T178-R180 VanDerWaalsContact C-N 3.27Å; T178-R180 PolarHBondContact O-N 3.15Å
179F45.3Very low57.2Low185 Ų185138.6 Ų138.681%0.81170%0.7SS**  trans-79.486.1170.9-136.8-95.5000106.2A177 Q181A177-F179 PolarHBondContact O-N 3.34Å; F179-Q181 PolarHBondContact O-N 2.84Å
180R51.1Low59Low228 Ų228133.1 Ų133.186%0.8669%0.688SS**  trans-52.4113.9168-81.9-175171179.5-2.3106.8T178 Q182T178-R180 VanDerWaalsContact C-N 3.27Å; T178-R180 PolarHBondContact O-N 3.15Å; R180-Q182 PolarHBondContact O-N 2.96Å
181Q49.3Very low61.2Low184 Ų184128 Ų12886%0.8668%0.675SS**  trans-48.5108173.9-63.8-178.611.900108F179 P183F179-Q181 PolarHBondContact O-N 2.84Å; Q181-P183 WeakPolarHBondContact O-CD 3.43Å
182Q55.3Low63.6Low179 Ų179121.3 Ų121.384%0.83665%0.649SS**PPolyproline II helixtrans-69.1124.1164.8-80.9-161.5-10.200106.1R180R180-Q182 PolarHBondContact O-N 2.96Å
183P61.1Low66Low110 Ų110120.3 Ų120.371%0.71464%0.638SS**PPolyproline II helixtrans-56.9141.9179.120.8-30.1000109.6Q181Q181-P183 WeakPolarHBondContact O-CD 3.43Å
184P69.6Low68.3Low82 Ų82121.5 Ų121.553%0.53263%0.629SS.*PPolyproline II helixtrans-55.3143.8-175.320.3-31.6000110.7M186P184-M186 WeakPolarHBondContact O-CG 3.38Å; P184-M186 PolarHBondContact O-N 3.14Å
185P75.3Confident70.2Confident87 Ų87116.5 Ų116.557%0.56562%0.616SS**PPolyproline II helixtrans-59.1117.9-175.523-32.6000110.1R198P185-R198 WeakPolarHBondContact O-CB 3.46Å; P185-R198 PolarHBondContact O-N 2.73Å
186M86.7Confident72.4Confident94 Ų94107.8 Ų107.846%0.46358%0.576SS.*EExtended strand (participates in β ladder)trans-98.5156.8-179-56.1-160.175.400111.3P184 Q195P184-M186 WeakPolarHBondContact O-CG 3.38Å; P184-M186 PolarHBondContact O-N 3.14Å; M186-Q195 HydrophobicContact CB-CB 4.35Å; M186-Q195 HydrophobicContact CE-CB 3.62Å; M186-Q195 HydrophobicContact SD-CB 3.94Å; M186-Q195 PolarHBondContact SD-OE1 3.31Å
187K88.4Confident74.4Confident45 Ų45105.1 Ų105.120%0.19655%0.552CS.*EExtended strand (participates in β ladder)trans-123.8150167.770-179.2170.5-170.10109.8I196 H197 R198 A200 S210K187-I196 HydrophobicContact CD-CG1 4.42Å; K187-I196 HydrophobicContact CG-CD1 4.27Å; K187-I196 HydrophobicContact CG-CG1 3.69Å; K187-I196 PolarHBondContact N-O 3.46Å; K187-I196 WeakPolarHBondContact O-CG1 3.47Å; K187-I196 PolarHBondContact O-N 3.3Å; K187-I196 VanDerWaalsContact O-O 3.07Å; K187-H197 VanDerWaalsContact CE-O 3.26Å; K187-H197 WeakPolarHBondContact CE-O 3.37Å; K187-R198 VanDerWaalsContact CD-O 3.27Å; K187-R198 WeakPolarHBondContact CD-O 3.3Å; K187-R198 WeakPolarHBondContact CE-O 3.47Å; K187-R198 PolarHBondContact NZ-O 2.84Å; K187-A200 PolarHBondContact NZ-O 3.46Å; K187-S210 WeakPolarHBondContact CE-OG 3.46Å; K187-S210 PolarHBondContact NZ-OG 2.87Å
188A89.1Confident76.3Confident60 Ų60109.4 Ų109.450%0.49655%0.554SS.*EExtended strand (participates in β ladder)trans-79.4136.8170.700000110.8
189C89.1Confident77.8Confident5 Ų5108.8 Ų108.83%0.03455%0.545CS..  trans-64.2133.1169.8178.40000110.5S191 H193 Q194 I196 C203C189-S191 PolarHBondContact O-N 3.29Å; C189-S191 PolarHBondContact SG-N 3.49Å; C189-H193 WeakPolarHBondContact O-CA 3.44Å; C189-H193 PolarHBondContact O-N 2.83Å; C189-Q194 PolarHBondContact N-O 3.18Å; C189-I196 HydrophobicContact CB-CD1 4.23Å; C189-C203 HydrophobicContact CB-CB 4.33Å; C189-C203 VanDerWaalsContact SG-CB 3.59Å
190L85.8Confident79.7Confident124 Ų124100.8 Ų100.865%0.64951%0.513SS*.THydrogen-bonded Turntrans-70.7-12.6-179.9-66.1172.5000114.4
191S90.1Very high81.3Confident79 Ų7994.7 Ų94.755%0.55250%0.503SS*.THydrogen-bonded Turntrans-101.4-51.3-179.5-570000112.1C189 A208C189-S191 PolarHBondContact O-N 3.29Å; C189-S191 PolarHBondContact SG-N 3.49Å; S191-A208 WeakPolarHBondContact OG-CB 3.31Å
192C91.8Very high83.1Confident45 Ų4589.8 Ų89.830%0.30448%0.482SS..THydrogen-bonded Turntrans-107.81.1-176.571.10000113.9Q194 C203 C206C192-Q194 PolarHBondContact O-N 3.26Å; C192-C203 VanDerWaalsContact SG-SG 3.63Å; C192-C206 HydrophobicContact CB-CB 4.16Å; C192-C206 VanDerWaalsContact SG-SG 3.61Å
193H89.9Confident84.8Confident137 Ų13781.2 Ų81.263%0.63444%0.442SS*.  trans60.70.9177.3-59.886.1000116.7C189C189-H193 WeakPolarHBondContact O-CA 3.44Å; C189-H193 PolarHBondContact O-N 2.83Å
194Q89.6Confident86Confident111 Ų11179.8 Ų79.852%0.51943%0.432SS..  trans-70.8149.3176.8-63.5-65.732.800112.9C189 C192 I196 L205C189-Q194 PolarHBondContact N-O 3.18Å; C192-Q194 PolarHBondContact O-N 3.26Å; Q194-I196 PolarHBondContact O-N 2.95Å; Q194-L205 HydrophobicContact CB-CD1 3.66Å; Q194-L205 HydrophobicContact CG-CD1 3.71Å
195Q90.6Very high87.1Confident136 Ų13681.6 Ų81.664%0.63644%0.437SS*.EExtended strand (participates in β ladder)trans-71.2125.3179.1-63.8-148.5-7.400110.9M186M186-Q195 HydrophobicContact CB-CB 4.35Å; M186-Q195 HydrophobicContact CE-CB 3.62Å; M186-Q195 HydrophobicContact SD-CB 3.94Å; M186-Q195 PolarHBondContact SD-OE1 3.31Å
196I87.4Confident87.9Confident6 Ų680 Ų803%0.03143%0.427CS..EExtended strand (participates in β ladder)trans-130.1156.6177.664.3173.8000109.2K187 C189 Q194 R198 A200 C203 P204K187-I196 HydrophobicContact CD-CG1 4.42Å; K187-I196 HydrophobicContact CG-CD1 4.27Å; K187-I196 HydrophobicContact CG-CG1 3.69Å; K187-I196 PolarHBondContact N-O 3.46Å; K187-I196 WeakPolarHBondContact O-CG1 3.47Å; K187-I196 PolarHBondContact O-N 3.3Å; K187-I196 VanDerWaalsContact O-O 3.07Å; C189-I196 HydrophobicContact CB-CD1 4.23Å; Q194-I196 PolarHBondContact O-N 2.95Å; I196-R198 PolarHBondContact O-N 3.23Å; I196-A200 HydrophobicContact CD1-CB 4.29Å; I196-C203 HydrophobicContact CD1-CB 4.45Å; I196-P204 HydrophobicContact CG2-CG 4.45Å
197H85.2Confident88Confident99 Ų9982.7 Ų82.746%0.45844%0.436SS..EExtended strand (participates in β ladder)trans-54.4138.1176.6-174.4-101.8000111.4K187 N199 A200K187-H197 VanDerWaalsContact CE-O 3.26Å; K187-H197 WeakPolarHBondContact CE-O 3.37Å; H197-N199 PolarHBondContact ND1-N 2.88Å; H197-N199 PolarHBondContact O-N 3.39Å; H197-A200 HydrophobicContact CB-CB 4.32Å; H197-A200 VanDerWaalsContact O-CB 3.25Å; H197-A200 WeakPolarHBondContact O-CB 3.41Å; H197-A200 PolarHBondContact O-N 2.65Å
198R84Confident88.1Confident160 Ų16081.7 Ų81.760%0.60444%0.436SS*.THydrogen-bonded Turntrans-55.1-31.8-174-174.8169.6-170.6-127.16113.8P185 K187 I196P185-R198 WeakPolarHBondContact O-CB 3.46Å; P185-R198 PolarHBondContact O-N 2.73Å; K187-R198 VanDerWaalsContact CD-O 3.27Å; K187-R198 WeakPolarHBondContact CD-O 3.3Å; K187-R198 WeakPolarHBondContact CE-O 3.47Å; K187-R198 PolarHBondContact NZ-O 2.84Å; I196-R198 PolarHBondContact O-N 3.23Å
199N79.8Confident87.9Confident129 Ų12987.3 Ų87.369%0.6945%0.45SS*.THydrogen-bonded Turntrans-97.76.3179.1-62.2-21.9000114.3H197 P201H197-N199 PolarHBondContact ND1-N 2.88Å; H197-N199 PolarHBondContact O-N 3.39Å; N199-P201 WeakPolarHBondContact O-CD 3.3Å
200A84.6Confident87.4Confident16 Ų1688.4 Ų88.413%0.13246%0.457CS..  trans-62.5122.817800000110.8K187 I196 H197 I202 S210K187-A200 PolarHBondContact NZ-O 3.46Å; I196-A200 HydrophobicContact CD1-CB 4.29Å; H197-A200 HydrophobicContact CB-CB 4.32Å; H197-A200 VanDerWaalsContact O-CB 3.25Å; H197-A200 WeakPolarHBondContact O-CB 3.41Å; H197-A200 PolarHBondContact O-N 2.65Å; A200-I202 VanDerWaalsContact C-N 3.34Å; A200-S210 VanDerWaalsContact O-CB 3.3Å; A200-S210 WeakPolarHBondContact O-CB 2.99Å
201P84.6Confident86.8Confident101 Ų10192.6 Ų92.666%0.65646%0.464SS*.SBendtrans-75.6-25.3-179.428.8-33.8000112.4N199 S210N199-P201 WeakPolarHBondContact O-CD 3.3Å; P201-S210 PolarHBondContact O-N 3.15Å
202I87.5Confident85.7Confident80 Ų8092.7 Ų92.741%0.4147%0.465SS..BIsolated β-bridgetrans-138.7142.3-179.4-63.1177.5000108.4A200 K207 K209A200-I202 VanDerWaalsContact C-N 3.34Å; I202-K207 HydrophobicContact CG2-CB 4.35Å; I202-K207 VanDerWaalsContact CG2-O 3.32Å; I202-K207 WeakPolarHBondContact CG2-O 3.43Å; I202-K209 HydrophobicContact CG1-CG 4.39Å
203C89.8Confident84.5Confident0 Ų0102.1 Ų102.10%049%0.494CS..  trans-67.4124.1172.6-177.80000110.2C189 C192 I196 L205 C206 K207 A208C189-C203 HydrophobicContact CB-CB 4.33Å; C189-C203 VanDerWaalsContact SG-CB 3.59Å; C192-C203 VanDerWaalsContact SG-SG 3.63Å; I196-C203 HydrophobicContact CD1-CB 4.45Å; C203-L205 PolarHBondContact O-N 2.91Å; C203-C206 VanDerWaalsContact CB-SG 3.58Å; C203-K207 WeakPolarHBondContact O-CA 3.25Å; C203-K207 PolarHBondContact O-N 3.33Å; C203-A208 PolarHBondContact N-O 3.38Å
204P88.2Confident83.1Confident80 Ų80102.3 Ų102.352%0.51950%0.5SS..THydrogen-bonded Turntrans-65.9-27-178.426.3-33000112.5I196 K207I196-P204 HydrophobicContact CG2-CG 4.45Å; P204-K207 PolarHBondContact O-NZ 2.98Å
205L90.8Very high81.8Confident120 Ų120101.7 Ų101.763%0.62851%0.506SS*.THydrogen-bonded Turntrans-81.6-52.5-176.3-57.7176000112.6Q194 C203Q194-L205 HydrophobicContact CB-CD1 3.66Å; Q194-L205 HydrophobicContact CG-CD1 3.71Å; C203-L205 PolarHBondContact O-N 2.91Å
206C92.4Very high80.5Confident54 Ų54105 Ų10537%0.36552%0.518SS..THydrogen-bonded Turntrans-109.80.4-174.169.60000114.5C192 C203 A208C192-C206 HydrophobicContact CB-CB 4.16Å; C192-C206 VanDerWaalsContact SG-SG 3.61Å; C203-C206 VanDerWaalsContact CB-SG 3.58Å; C206-A208 PolarHBondContact O-N 2.86Å
207K90.5Very high79.4Confident149 Ų149114 Ų11465%0.64856%0.557SS**  trans59.210.2-179-49.7-55.3-174.5-163.60115.7I202 C203 P204I202-K207 HydrophobicContact CG2-CB 4.35Å; I202-K207 VanDerWaalsContact CG2-O 3.32Å; I202-K207 WeakPolarHBondContact CG2-O 3.43Å; C203-K207 WeakPolarHBondContact O-CA 3.25Å; C203-K207 PolarHBondContact O-N 3.33Å; P204-K207 PolarHBondContact O-NZ 2.98Å
208A88.4Confident78.5Confident24 Ų24115.1 Ų115.120%0.19857%0.573CS.*PPolyproline II helixtrans-66.2137173.100000111.3S191 C203 C206 S210S191-A208 WeakPolarHBondContact OG-CB 3.31Å; C203-A208 PolarHBondContact N-O 3.38Å; C206-A208 PolarHBondContact O-N 2.86Å; A208-S210 PolarHBondContact O-N 2.97Å
209K85.6Confident77.4Confident179 Ų179117.3 Ų117.378%0.77859%0.587SS**BIsolated β-bridgetrans-65.3129.3175.5-80-177.5179178.60110.5I202I202-K209 HydrophobicContact CG1-CG 4.39Å
210S78.6Confident76.6Confident27 Ų27122.9 Ų122.919%0.18960%0.598CS.*PPolyproline II helixtrans-90.7125.7174.9-170.10000110.2K187 A200 P201 A208K187-S210 WeakPolarHBondContact CE-OG 3.46Å; K187-S210 PolarHBondContact NZ-OG 2.87Å; A200-S210 VanDerWaalsContact O-CB 3.3Å; A200-S210 WeakPolarHBondContact O-CB 2.99Å; P201-S210 PolarHBondContact O-N 3.15Å; A208-S210 PolarHBondContact O-N 2.97Å
211R73.7Confident75.3Confident212 Ų212131.2 Ų131.280%0.863%0.631SS**PPolyproline II helixtrans-94.2129.9174.5-65.1-177.1179.8-1203109.5
212S67.6Low74Confident81 Ų81132.5 Ų132.557%0.56664%0.64SS**PPolyproline II helixtrans-63.2138.1170.8174.30000109.8N214S212-N214 PolarHBondContact O-N 2.85Å; S212-N214 PolarHBondContact OG-N 3.22Å; S212-N214 VanDerWaalsContact OG-N 3.12Å; S212-N214 PolarHBondContact OG-O 2.93Å
213R65.8Low72.5Confident244 Ų244136.6 Ų136.692%0.92166%0.662SS**SBendtrans-68.6-18172.5-75.3-175.7177.4-124.51.3112.8P215R213-P215 WeakPolarHBondContact O-CD 3.48Å
214N61.1Low70.7Confident141 Ų141149.3 Ų149.375%0.75472%0.722SS**SBendtrans-119.280.7178.4-143.622.4000109.7S212 K216S212-N214 PolarHBondContact O-N 2.85Å; S212-N214 PolarHBondContact OG-N 3.22Å; S212-N214 VanDerWaalsContact OG-N 3.12Å; S212-N214 PolarHBondContact OG-O 2.93Å; N214-K216 PolarHBondContact O-N 3.12Å
215P61.1Low69.8Low98 Ų98152.8 Ų152.864%0.63673%0.732SS**PPolyproline II helixtrans-67127.7177.825.6-30.8000109.9R213 K217R213-P215 WeakPolarHBondContact O-CD 3.48Å; P215-K217 PolarHBondContact O-N 3.43Å
216K64.9Low68.7Low205 Ų205154.5 Ų154.589%0.89174%0.737SS**PPolyproline II helixtrans-58.4125.4169.5-73.8-177.3176.9-178.70107.9N214N214-K216 PolarHBondContact O-N 3.12Å
217K63.3Low67.4Low196 Ų196160.1 Ų160.185%0.85276%0.758SS**PPolyproline II helixtrans-54.5131.4-179.1-72.8179.6179.8176.60109.6P215 K219P215-K217 PolarHBondContact O-N 3.43Å; K217-K219 PolarHBondContact O-N 3.06Å
218P66.5Low66Low122 Ų122160.7 Ų160.779%0.79276%0.764SS**PPolyproline II helixtrans-63.2131.8175.124.9-31.1000109.5R220P218-R220 PolarHBondContact O-N 3.34Å
219K61.3Low64.6Low206 Ų206169.3 Ų169.390%0.89680%0.8SS**PPolyproline II helixtrans-61.2123.4170.3-85.1-177171.8-177.20108.1K217 K221K217-K219 PolarHBondContact O-N 3.06Å; K219-K221 PolarHBondContact O-N 2.99Å
220R62.2Low63.2Low246 Ų246168.6 Ų168.693%0.92880%0.801SS**PPolyproline II helixtrans-59129.1172.1-73.3-175.3172.5-176-3.5108.5P218P218-R220 PolarHBondContact O-N 3.34Å
221K57Low62.1Low191 Ų191178.7 Ų178.783%0.8385%0.845SS**PPolyproline II helixtrans-69.8140167.1-70.1-171.7176.8-174.40108K219 D223K219-K221 PolarHBondContact O-N 2.99Å; K221-D223 PolarHBondContact O-N 3.44Å
222P58.3Low61.2Low128 Ų128176.2 Ų176.283%0.83185%0.848SS**PPolyproline II helixtrans-67.5128.2167.724.7-23.8000108.6
223D55.6Low60.7Low166 Ų166184.1 Ų184.189%0.88887%0.872SS**PPolyproline II helixtrans-65.6139.1168.8-77.7-55.2000109.2K221K221-D223 PolarHBondContact O-N 3.44Å
224E51Low60.2Low266 Ų266178.6 Ų178.6100%1.24387%0.867SS**  trans-100.40168.5-162.9176.5168.700109

Retrieved 224 of 224 residues in 102.3 ms (Link to these results)

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