| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 59.2 | Low | 86.8 | Confident | 126 Ų | 126 | 82.7 Ų | 82.7 | 62% | 0.621 | 44% | 0.444 | S | S | * | . | 0 | 125.8 | 0 | -81.2 | 149.5 | 164.1 | 0 | 0 | 108.4 | G23 Q97 | M1-G23 WeakPolarHBondContact CE-O 3.37Å; M1-Q97 PolarHBondContact SD-NE2 3.42Å | |||
| 2 | A | 72.3 | Confident | 87.6 | Confident | 76 Ų | 76 | 80.4 Ų | 80.4 | 63% | 0.628 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -87.2 | 121.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 3 | L | 80.2 | Confident | 88.3 | Confident | 33 Ų | 33 | 74.4 Ų | 74.4 | 17% | 0.173 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 152.5 | 169 | -75 | 178 | 0 | 0 | 0 | 109.7 | H5 I100 I101 V104 | L3-H5 PolarHBondContact O-N 2.81Å; L3-I100 HydrophobicContact CD1-CB 4.18Å; L3-I100 HydrophobicContact CD1-CG2 3.4Å; L3-I100 HydrophobicContact CG-CG2 3.99Å; L3-I101 HydrophobicContact CD1-CG1 3.93Å; L3-I101 HydrophobicContact CD2-CD1 4.43Å; L3-I101 HydrophobicContact CD2-CG1 3.84Å; L3-V104 HydrophobicContact CD1-CB 4.49Å; L3-V104 HydrophobicContact CD1-CG2 3.92Å |
| 4 | S | 87.3 | Confident | 88.8 | Confident | 33 Ų | 33 | 72.8 Ų | 72.8 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 137.7 | 171.3 | 178.4 | 0 | 0 | 0 | 0 | 111 | S6 E9 R10 | S4-S6 PolarHBondContact O-N 3.49Å; S4-S6 PolarHBondContact OG-N 2.95Å; S4-S6 VanDerWaalsContact OG-N 3.12Å; S4-E9 WeakPolarHBondContact CB-OE2 3.37Å; S4-E9 PolarHBondContact OG-OE2 2.82Å; S4-R10 WeakPolarHBondContact O-CD 3.37Å; S4-R10 VanDerWaalsContact O-CG 3.29Å; S4-R10 WeakPolarHBondContact O-CG 3.34Å; S4-R10 PolarHBondContact O-NE 3.07Å |
| 5 | H | 89.3 | Confident | 89.4 | Confident | 187 Ų | 187 | 76.3 Ų | 76.3 | 87% | 0.866 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -72.8 | -20.1 | 172.4 | -66.4 | -75.1 | 0 | 0 | 0 | 112.2 | L3 V7 | L3-H5 PolarHBondContact O-N 2.81Å; H5-V7 PolarHBondContact O-N 2.91Å |
| 6 | S | 93.9 | Very high | 89.9 | Confident | 47 Ų | 47 | 74.4 Ų | 74.4 | 33% | 0.329 | 40% | 0.401 | S | S | . | . | trans | -74.9 | 125.2 | 178.2 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | S4 K8 E9 R10 | S4-S6 PolarHBondContact O-N 3.49Å; S4-S6 PolarHBondContact OG-N 2.95Å; S4-S6 VanDerWaalsContact OG-N 3.12Å; S6-K8 VanDerWaalsContact C-N 3.28Å; S6-K8 PolarHBondContact O-N 3.12Å; S6-K8 PolarHBondContact OG-N 2.83Å; S6-E9 PolarHBondContact OG-N 2.86Å; S6-R10 WeakPolarHBondContact O-CG 3.43Å; S6-R10 PolarHBondContact O-N 2.82Å; S6-R10 PolarHBondContact O-NE 2.84Å | ||
| 7 | V | 93.4 | Very high | 90.3 | Very high | 97 Ų | 97 | 78.2 Ų | 78.2 | 59% | 0.588 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.9 | -42.8 | 172.4 | 178 | 0 | 0 | 0 | 0 | 110 | H5 E9 R10 T11 | H5-V7 PolarHBondContact O-N 2.91Å; V7-E9 PolarHBondContact O-N 2.78Å; V7-R10 PolarHBondContact O-N 3.09Å; V7-T11 PolarHBondContact O-N 2.85Å; V7-T11 PolarHBondContact O-OG1 2.74Å; V7-T11 VanDerWaalsContact O-OG1 3.06Å |
| 8 | K | 94.7 | Very high | 90.7 | Very high | 155 Ų | 155 | 74.4 Ų | 74.4 | 67% | 0.674 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.6 | -49 | -180 | -177 | -178.3 | 178.4 | -176.8 | 0 | 111.5 | S6 T11 I12 | S6-K8 VanDerWaalsContact C-N 3.28Å; S6-K8 PolarHBondContact O-N 3.12Å; S6-K8 PolarHBondContact OG-N 2.83Å; K8-T11 PolarHBondContact O-N 2.99Å; K8-I12 HydrophobicContact CG-CD1 4.34Å; K8-I12 WeakPolarHBondContact O-CG1 3.27Å; K8-I12 PolarHBondContact O-N 2.85Å; K8-I12 VanDerWaalsContact O-N 3.14Å |
| 9 | E | 94.5 | Very high | 91 | Very high | 59 Ų | 59 | 70.7 Ų | 70.7 | 28% | 0.276 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 178.7 | -71.6 | -175.6 | 172 | 0 | 0 | 111.7 | S4 S6 V7 T11 I12 S13 A48 | S4-E9 WeakPolarHBondContact CB-OE2 3.37Å; S4-E9 PolarHBondContact OG-OE2 2.82Å; S6-E9 PolarHBondContact OG-N 2.86Å; V7-E9 PolarHBondContact O-N 2.78Å; E9-T11 VanDerWaalsContact C-N 3.29Å; E9-T11 PolarHBondContact O-N 2.79Å; E9-I12 PolarHBondContact O-N 3.12Å; E9-I12 VanDerWaalsContact O-N 3.15Å; E9-S13 PolarHBondContact O-N 3.01Å; E9-S13 PolarHBondContact O-OG 3.46Å; E9-A48 HydrophobicContact CB-CB 3.91Å; E9-A48 HydrophobicContact CG-CB 4.12Å |
| 10 | R | 94.6 | Very high | 91.4 | Very high | 42 Ų | 42 | 68.2 Ų | 68.2 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.4 | -41 | 176.8 | -78.2 | -175.3 | -71.5 | 166.6 | -6.3 | 112.6 | S4 S6 V7 S13 E14 V104 | S4-R10 WeakPolarHBondContact O-CD 3.37Å; S4-R10 VanDerWaalsContact O-CG 3.29Å; S4-R10 WeakPolarHBondContact O-CG 3.34Å; S4-R10 PolarHBondContact O-NE 3.07Å; S6-R10 WeakPolarHBondContact O-CG 3.43Å; S6-R10 PolarHBondContact O-N 2.82Å; S6-R10 PolarHBondContact O-NE 2.84Å; V7-R10 PolarHBondContact O-N 3.09Å; R10-S13 PolarHBondContact O-N 2.86Å; R10-E14 WeakPolarHBondContact O-CB 3.41Å; R10-E14 PolarHBondContact O-N 2.86Å; R10-V104 VanDerWaalsContact NH1-CG1 3.3Å |
| 11 | T | 95.6 | Very high | 91.6 | Very high | 55 Ų | 55 | 65.7 Ų | 65.7 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.8 | -36 | 177.8 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | V7 K8 E9 S13 N15 | V7-T11 PolarHBondContact O-N 2.85Å; V7-T11 PolarHBondContact O-OG1 2.74Å; V7-T11 VanDerWaalsContact O-OG1 3.06Å; K8-T11 PolarHBondContact O-N 2.99Å; E9-T11 VanDerWaalsContact C-N 3.29Å; E9-T11 PolarHBondContact O-N 2.79Å; T11-S13 VanDerWaalsContact C-N 3.34Å; T11-N15 VanDerWaalsContact CG2-ND2 3.32Å; T11-N15 WeakPolarHBondContact CG2-ND2 3.3Å; T11-N15 WeakPolarHBondContact O-CB 3.42Å; T11-N15 PolarHBondContact O-N 2.84Å; T11-N15 VanDerWaalsContact O-N 3.12Å; T11-N15 PolarHBondContact O-ND2 3.09Å |
| 12 | I | 96.6 | Very high | 93.4 | Very high | 55 Ų | 55 | 60.4 Ų | 60.4 | 28% | 0.282 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 172.7 | -65.9 | 164.7 | 0 | 0 | 0 | 109.8 | K8 E9 N15 S16 A48 F49 | K8-I12 HydrophobicContact CG-CD1 4.34Å; K8-I12 WeakPolarHBondContact O-CG1 3.27Å; K8-I12 PolarHBondContact O-N 2.85Å; K8-I12 VanDerWaalsContact O-N 3.14Å; E9-I12 PolarHBondContact O-N 3.12Å; E9-I12 VanDerWaalsContact O-N 3.15Å; I12-N15 PolarHBondContact O-N 3.05Å; I12-S16 WeakPolarHBondContact O-CB 3.45Å; I12-S16 PolarHBondContact O-N 2.97Å; I12-S16 PolarHBondContact O-OG 3.36Å; I12-A48 HydrophobicContact CB-CB 3.99Å; I12-A48 HydrophobicContact CG2-CB 3.9Å; I12-A48 WeakPolarHBondContact CG2-O 3.48Å; I12-F49 HydrophobicContact CD1-CE1 4.16Å; I12-F49 HydrophobicContact CD1-CZ 3.94Å |
| 13 | S | 95.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.4 | -51.3 | 176.9 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | E9 R10 T11 N15 S16 I18 I19 Q22 | E9-S13 PolarHBondContact O-N 3.01Å; E9-S13 PolarHBondContact O-OG 3.46Å; R10-S13 PolarHBondContact O-N 2.86Å; T11-S13 VanDerWaalsContact C-N 3.34Å; S13-N15 VanDerWaalsContact C-N 3.29Å; S13-N15 PolarHBondContact O-N 2.89Å; S13-S16 PolarHBondContact O-N 3.2Å; S13-I18 VanDerWaalsContact CA-CG2 3.48Å; S13-I19 WeakPolarHBondContact O-CB 3.15Å; S13-Q22 VanDerWaalsContact CB-OE1 3.23Å; S13-Q22 PolarHBondContact OG-NE2 3Å; S13-Q22 PolarHBondContact OG-OE1 2.78Å; S13-Q22 VanDerWaalsContact OG-OE1 3.11Å |
| 14 | E | 95.8 | Very high | 95.3 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -36.7 | 179.1 | -175.7 | -178.4 | -158.1 | 0 | 0 | 113.4 | R10 L98 I101 R105 | R10-E14 WeakPolarHBondContact O-CB 3.41Å; R10-E14 PolarHBondContact O-N 2.86Å; E14-L98 HydrophobicContact CB-CD2 4.44Å; E14-L98 HydrophobicContact CG-CD2 3.75Å; E14-I101 HydrophobicContact CB-CD1 4.23Å; E14-R105 VanDerWaalsContact CD-NH2 3.28Å; E14-R105 IonicContact OE1-CZ 3.29Å; E14-R105 IonicContact OE1-NH1 2.8Å; E14-R105 PolarHBondContact OE1-NH1 2.96Å; E14-R105 IonicContact OE1-NH2 3.97Å; E14-R105 PolarHBondContact OE1-NH2 3.24Å; E14-R105 IonicContact OE2-CZ 2.84Å; E14-R105 IonicContact OE2-NH1 2.89Å; E14-R105 IonicContact OE2-NH2 3.58Å; E14-R105 PolarHBondContact OE2-NH2 3.06Å |
| 15 | N | 97.3 | Very high | 95.7 | Very high | 125 Ų | 125 | 55.2 Ų | 55.2 | 67% | 0.668 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 9.3 | -176.7 | -66.3 | -43.9 | 0 | 0 | 0 | 113.9 | T11 I12 S13 | T11-N15 VanDerWaalsContact CG2-ND2 3.32Å; T11-N15 WeakPolarHBondContact CG2-ND2 3.3Å; T11-N15 WeakPolarHBondContact O-CB 3.42Å; T11-N15 PolarHBondContact O-N 2.84Å; T11-N15 VanDerWaalsContact O-N 3.12Å; T11-N15 PolarHBondContact O-ND2 3.09Å; I12-N15 PolarHBondContact O-N 3.05Å; S13-N15 VanDerWaalsContact C-N 3.29Å; S13-N15 PolarHBondContact O-N 2.89Å |
| 16 | S | 97.6 | Very high | 96.1 | Very high | 47 Ų | 47 | 48.7 Ų | 48.7 | 33% | 0.329 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -141.5 | 166.8 | 179 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | I12 S13 I18 I19 | I12-S16 WeakPolarHBondContact O-CB 3.45Å; I12-S16 PolarHBondContact O-N 2.97Å; I12-S16 PolarHBondContact O-OG 3.36Å; S13-S16 PolarHBondContact O-N 3.2Å; S16-I18 PolarHBondContact O-N 2.82Å; S16-I18 VanDerWaalsContact O-N 3.13Å; S16-I18 WeakPolarHBondContact OG-CG2 3.33Å; S16-I19 WeakPolarHBondContact O-CG2 3.36Å |
| 17 | L | 97.5 | Very high | 96.2 | Very high | 139 Ų | 139 | 50.1 Ų | 50.1 | 73% | 0.728 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -4.4 | 180 | -68.6 | 178.5 | 0 | 0 | 0 | 113.8 | I19 L20 | L17-I19 PolarHBondContact O-N 2.86Å; L17-I19 VanDerWaalsContact O-N 3.17Å; L17-L20 WeakPolarHBondContact O-CB 3.46Å; L17-L20 PolarHBondContact O-N 3.33Å; L17-L20 VanDerWaalsContact O-N 3.1Å |
| 18 | I | 97.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 5% | 0.046 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -25.9 | 177.6 | -164.4 | 55.8 | 0 | 0 | 0 | 112.3 | S13 S16 L20 L21 Q22 V46 D47 M50 | S13-I18 VanDerWaalsContact CA-CG2 3.48Å; S16-I18 PolarHBondContact O-N 2.82Å; S16-I18 VanDerWaalsContact O-N 3.13Å; S16-I18 WeakPolarHBondContact OG-CG2 3.33Å; I18-L20 PolarHBondContact O-N 2.83Å; I18-L21 HydrophobicContact CD1-CB 4.24Å; I18-L21 HydrophobicContact CD1-CD1 3.96Å; I18-L21 HydrophobicContact CD1-CG 4.49Å; I18-L21 PolarHBondContact O-N 3.25Å; I18-Q22 PolarHBondContact O-N 2.82Å; I18-V46 HydrophobicContact CD1-CG1 3.67Å; I18-V46 HydrophobicContact CG1-CG1 4.21Å; I18-D47 VanDerWaalsContact CG1-O 3.22Å; I18-D47 WeakPolarHBondContact CG1-O 3.47Å; I18-M50 HydrophobicContact CD1-CB 3.72Å; I18-M50 HydrophobicContact CD1-CE 4.22Å; I18-M50 HydrophobicContact CD1-CG 3.78Å |
| 19 | I | 97.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.6 | -30.8 | 176.5 | -164.9 | 164.4 | 0 | 0 | 0 | 112.8 | S13 S16 L17 Q22 G23 I94 Q97 L98 I101 | S13-I19 WeakPolarHBondContact O-CB 3.15Å; S16-I19 WeakPolarHBondContact O-CG2 3.36Å; L17-I19 PolarHBondContact O-N 2.86Å; L17-I19 VanDerWaalsContact O-N 3.17Å; I19-Q22 PolarHBondContact O-N 2.88Å; I19-G23 PolarHBondContact O-N 2.95Å; I19-I94 HydrophobicContact CG2-CG1 4.38Å; I19-I94 HydrophobicContact CG2-CG2 4.1Å; I19-Q97 HydrophobicContact CD1-CB 3.69Å; I19-Q97 HydrophobicContact CG1-CB 3.37Å; I19-Q97 HydrophobicContact CG1-CG 4.06Å; I19-L98 HydrophobicContact CD1-CD2 3.48Å; I19-L98 VanDerWaalsContact CD1-CD2 3.48Å; I19-L98 HydrophobicContact CD1-CG 3.78Å; I19-I101 HydrophobicContact CD1-CD1 3.73Å |
| 20 | L | 97.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 41 Ų | 41 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -49 | 173.9 | 176.5 | 64.1 | 0 | 0 | 0 | 110.5 | L17 I18 Q22 G23 L24 I84 I90 T93 I94 | L17-L20 WeakPolarHBondContact O-CB 3.46Å; L17-L20 PolarHBondContact O-N 3.33Å; L17-L20 VanDerWaalsContact O-N 3.1Å; I18-L20 PolarHBondContact O-N 2.83Å; L20-Q22 VanDerWaalsContact C-N 3.32Å; L20-Q22 PolarHBondContact O-N 2.93Å; L20-G23 WeakPolarHBondContact O-CA 3.32Å; L20-G23 PolarHBondContact O-N 2.7Å; L20-L24 PolarHBondContact O-N 3.46Å; L20-I84 HydrophobicContact CD2-CD1 3.79Å; L20-I90 HydrophobicContact CD1-CB 4.3Å; L20-I90 HydrophobicContact CD1-CG2 3.74Å; L20-I90 HydrophobicContact CD2-CG2 3.78Å; L20-I90 HydrophobicContact CG-CG2 4.41Å; L20-T93 HydrophobicContact CD1-CG2 4.33Å; L20-I94 HydrophobicContact CB-CD1 4.21Å; L20-I94 HydrophobicContact CB-CG1 3.93Å; L20-I94 HydrophobicContact CD1-CD1 4.26Å; L20-I94 HydrophobicContact CD1-CG1 3.91Å; L20-I94 HydrophobicContact CG-CG1 4.46Å |
| 21 | L | 96.5 | Very high | 97 | Very high | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.1 | -34.6 | 179.7 | -63.6 | -173.5 | 0 | 0 | 0 | 112.2 | I18 G23 L24 V46 M50 V82 | I18-L21 HydrophobicContact CD1-CB 4.24Å; I18-L21 HydrophobicContact CD1-CD1 3.96Å; I18-L21 HydrophobicContact CD1-CG 4.49Å; I18-L21 PolarHBondContact O-N 3.25Å; L21-G23 PolarHBondContact O-N 2.83Å; L21-L24 HydrophobicContact CD2-CD1 3.82Å; L21-L24 WeakPolarHBondContact O-CB 3.33Å; L21-L24 PolarHBondContact O-N 2.91Å; L21-V46 HydrophobicContact CB-CG1 4.2Å; L21-V46 HydrophobicContact CB-CG2 4.5Å; L21-M50 HydrophobicContact CD1-CG 4.14Å; L21-M50 HydrophobicContact CD1-SD 4.5Å; L21-V82 HydrophobicContact CD1-CB 4.49Å; L21-V82 HydrophobicContact CD1-CG2 3.95Å; L21-V82 HydrophobicContact CD2-CB 3.89Å; L21-V82 HydrophobicContact CD2-CG1 3.69Å; L21-V82 HydrophobicContact CD2-CG2 4.24Å |
| 22 | Q | 96.8 | Very high | 97.1 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -33.9 | 171.2 | -70.2 | 177.8 | -27.5 | 0 | 0 | 112 | S13 I18 I19 L20 L24 Q25 V46 | S13-Q22 VanDerWaalsContact CB-OE1 3.23Å; S13-Q22 PolarHBondContact OG-NE2 3Å; S13-Q22 PolarHBondContact OG-OE1 2.78Å; S13-Q22 VanDerWaalsContact OG-OE1 3.11Å; I18-Q22 PolarHBondContact O-N 2.82Å; I19-Q22 PolarHBondContact O-N 2.88Å; L20-Q22 VanDerWaalsContact C-N 3.32Å; L20-Q22 PolarHBondContact O-N 2.93Å; Q22-L24 PolarHBondContact O-N 3.4Å; Q22-Q25 WeakPolarHBondContact O-CB 3.29Å; Q22-Q25 WeakPolarHBondContact O-CG 3.23Å; Q22-Q25 PolarHBondContact O-N 3.1Å; Q22-V46 HydrophobicContact CG-CB 4.16Å; Q22-V46 HydrophobicContact CG-CG1 4.48Å; Q22-V46 WeakPolarHBondContact CG-O 3.41Å; Q22-V46 PolarHBondContact NE2-O 2.56Å |
| 23 | G | 96.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -12.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1 I19 L20 L21 | M1-G23 WeakPolarHBondContact CE-O 3.37Å; I19-G23 PolarHBondContact O-N 2.95Å; L20-G23 WeakPolarHBondContact O-CA 3.32Å; L20-G23 PolarHBondContact O-N 2.7Å; L21-G23 PolarHBondContact O-N 2.83Å |
| 24 | L | 96.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 0.4 | 175.3 | -54.1 | -177.6 | 0 | 0 | 0 | 113.3 | L20 L21 Q22 G26 R27 I43 I84 V88 | L20-L24 PolarHBondContact O-N 3.46Å; L21-L24 HydrophobicContact CD2-CD1 3.82Å; L21-L24 WeakPolarHBondContact O-CB 3.33Å; L21-L24 PolarHBondContact O-N 2.91Å; Q22-L24 PolarHBondContact O-N 3.4Å; L24-G26 PolarHBondContact O-N 3.33Å; L24-R27 WeakPolarHBondContact O-CB 3.5Å; L24-R27 PolarHBondContact O-N 2.81Å; L24-I43 HydrophobicContact CB-CD1 3.86Å; L24-I84 HydrophobicContact CD1-CG1 4.28Å; L24-I84 HydrophobicContact CD1-CG2 4.48Å; L24-I84 HydrophobicContact CD2-CG2 4.46Å; L24-V88 HydrophobicContact CD2-CB 4.42Å; L24-V88 HydrophobicContact CD2-CG1 3.81Å; L24-V88 HydrophobicContact CD2-CG2 3.94Å |
| 25 | Q | 96.4 | Very high | 97.4 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 130.5 | 175.7 | -76.1 | 175.7 | 4.5 | 0 | 0 | 111.5 | Q22 I43 N45 | Q22-Q25 WeakPolarHBondContact O-CB 3.29Å; Q22-Q25 WeakPolarHBondContact O-CG 3.23Å; Q22-Q25 PolarHBondContact O-N 3.1Å; Q25-I43 HydrophobicContact CG-CG2 4.23Å; Q25-N45 PolarHBondContact NE2-OD1 3.41Å; Q25-N45 VanDerWaalsContact NE2-OD1 3.11Å |
| 26 | G | 96.4 | Very high | 97.4 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 52% | 0.515 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -12.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L24 R42 I43 | L24-G26 PolarHBondContact O-N 3.33Å; G26-R42 WeakPolarHBondContact O-CD 3.13Å; G26-R42 WeakPolarHBondContact O-CG 3.27Å; G26-I43 PolarHBondContact N-O 2.88Å |
| 27 | R | 96.9 | Very high | 97.4 | Very high | 78 Ų | 78 | 41.4 Ų | 41.4 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -87.3 | 151.3 | 176.1 | -67.1 | -169.4 | 160.9 | 126.1 | -13.5 | 111.9 | L24 T29 R42 I43 P85 D87 V88 | L24-R27 WeakPolarHBondContact O-CB 3.5Å; L24-R27 PolarHBondContact O-N 2.81Å; R27-T29 HydrophobicContact CB-CG2 4.46Å; R27-R42 CarbonylContact O-C 3.59Å; R27-R42 WeakPolarHBondContact O-CA 3.49Å; R27-I43 PolarHBondContact O-N 2.91Å; R27-P85 HydrophobicContact CB-CG 4.42Å; R27-D87 IonicContact CZ-OD2 3.47Å; R27-D87 IonicContact NE-OD2 2.8Å; R27-D87 PolarHBondContact NE-OD2 2.99Å; R27-D87 IonicContact NH2-OD2 3.57Å; R27-D87 PolarHBondContact NH2-OD2 3.46Å; R27-V88 VanDerWaalsContact NH1-CG2 3.27Å |
| 28 | V | 98.1 | Very high | 97.5 | Very high | 83 Ų | 83 | 36.9 Ų | 36.9 | 50% | 0.503 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 126.6 | 170.7 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | H40 G41 R42 | V28-H40 WeakPolarHBondContact CG1-NE2 3.44Å; V28-G41 WeakPolarHBondContact CA-O 3.48Å; V28-R42 HydrophobicContact CG2-CB 4.17Å; V28-R42 HydrophobicContact CG2-CG 4.5Å |
| 29 | T | 98 | Very high | 97.5 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 163.6 | -177.4 | 61.6 | 0 | 0 | 0 | 0 | 110.2 | R27 G41 I43 H83 P85 | R27-T29 HydrophobicContact CB-CG2 4.46Å; T29-G41 PolarHBondContact N-O 3.11Å; T29-G41 PolarHBondContact O-N 3.48Å; T29-I43 HydrophobicContact CG2-CD1 3.86Å; T29-I43 HydrophobicContact CG2-CG1 4.45Å; T29-I43 WeakPolarHBondContact OG1-CD1 3.35Å; T29-I43 WeakPolarHBondContact OG1-CG1 3.43Å; T29-H83 WeakPolarHBondContact CB-O 3.4Å; T29-P85 HydrophobicContact CG2-CG 3.8Å |
| 30 | T | 98.6 | Very high | 97.6 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136.7 | 169.4 | -55 | 0 | 0 | 0 | 0 | 109.2 | V38 A39 H40 H83 | T30-V38 HydrophobicContact CG2-CG1 3.35Å; T30-A39 CarbonylContact C-O 3.57Å; T30-H40 PolarHBondContact OG1-ND1 3.49Å; T30-H83 WeakPolarHBondContact O-CB 3.36Å; T30-H83 PolarHBondContact O-CD2 3.16Å; T30-H83 VanDerWaalsContact O-CD2 3.26Å; T30-H83 PolarHBondContact O-N 2.83Å |
| 31 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.5 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | L33 A39 I52 L54 V79 Y81 V82 | V31-L33 HydrophobicContact CG1-CD1 4.46Å; V31-L33 WeakPolarHBondContact O-CD1 2.99Å; V31-A39 HydrophobicContact CB-CB 4.46Å; V31-A39 PolarHBondContact N-O 3.12Å; V31-A39 PolarHBondContact O-N 3.49Å; V31-I52 HydrophobicContact CG1-CD1 4.29Å; V31-I52 HydrophobicContact CG2-CD1 4.14Å; V31-L54 HydrophobicContact CG2-CD1 4.2Å; V31-L54 HydrophobicContact CG2-CD2 4.46Å; V31-V79 HydrophobicContact CG1-CG1 4.1Å; V31-V79 HydrophobicContact CG1-CG2 4.24Å; V31-Y81 CarbonylContact C-O 3.44Å; V31-Y81 WeakPolarHBondContact CA-O 3.14Å; V31-V82 HydrophobicContact CG1-CG2 4.41Å; V31-V82 HydrophobicContact CG2-CG1 4.38Å; V31-V82 HydrophobicContact CG2-CG2 4.37Å |
| 32 | D | 98.5 | Very high | 97.7 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.9 | 173.6 | -61.3 | -23.1 | 0 | 0 | 0 | 109.1 | R80 Y81 H83 | D32-R80 WeakPolarHBondContact O-CA 3.36Å; D32-R80 WeakPolarHBondContact O-CB 3.48Å; D32-R80 PolarHBondContact O-N 2.88Å; D32-Y81 HydrophobicContact CB-CD2 4.09Å; D32-Y81 PolarHBondContact N-O 3.11Å; D32-Y81 PolarHBondContact O-N 3.13Å; D32-Y81 VanDerWaalsContact O-N 3.09Å; D32-H83 IonicContact OD1-NE2 2.99Å; D32-H83 PolarHBondContact OD1-NE2 3.37Å; D32-H83 IonicContact OD2-CD2 3.83Å; D32-H83 IonicContact OD2-CE1 2.97Å; D32-H83 IonicContact OD2-NE2 3.12Å; D32-H83 PolarHBondContact OD2-NE2 3.46Å |
| 33 | L | 98.4 | Very high | 97.8 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 161.8 | 179.6 | -70.8 | 73.5 | 0 | 0 | 0 | 110.2 | V31 D35 E36 S37 A39 Y59 V74 N78 | V31-L33 HydrophobicContact CG1-CD1 4.46Å; V31-L33 WeakPolarHBondContact O-CD1 2.99Å; L33-D35 WeakPolarHBondContact CB-OD1 3.48Å; L33-D35 PolarHBondContact O-N 3.15Å; L33-E36 PolarHBondContact O-N 2.76Å; L33-S37 WeakPolarHBondContact CB-O 3.2Å; L33-S37 PolarHBondContact N-O 2.86Å; L33-A39 HydrophobicContact CD1-CB 4.13Å; L33-Y59 HydrophobicContact CD2-CE2 4.43Å; L33-V74 HydrophobicContact CD2-CG1 4.33Å; L33-V74 HydrophobicContact CG-CG1 4.28Å; L33-N78 CarbonylContact C-O 3.58Å; L33-N78 WeakPolarHBondContact CA-O 3.41Å |
| 34 | R | 98.1 | Very high | 97.8 | Very high | 150 Ų | 150 | 45.4 Ų | 45.4 | 57% | 0.566 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.5 | 178 | -74.2 | -172.7 | -177 | -173.3 | 2.3 | 113.4 | E36 R77 N78 V79 R80 | R34-E36 PolarHBondContact O-N 3.39Å; R34-R77 WeakPolarHBondContact CD-O 3.31Å; R34-R77 PolarHBondContact NE-O 3.34Å; R34-R77 PolarHBondContact NH1-O 3.17Å; R34-N78 PolarHBondContact N-O 3.29Å; R34-V79 PolarHBondContact NE-O 3.05Å; R34-R80 HydrophobicContact CG-CB 4.12Å |
| 35 | D | 96.9 | Very high | 97.8 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 18.5 | 177.2 | 79.2 | -34.9 | 0 | 0 | 0 | 112.7 | L33 S37 R62 | L33-D35 WeakPolarHBondContact CB-OD1 3.48Å; L33-D35 PolarHBondContact O-N 3.15Å; D35-S37 PolarHBondContact O-N 3.09Å; D35-S37 WeakPolarHBondContact OD1-CB 3.43Å; D35-S37 PolarHBondContact OD1-N 2.82Å; D35-S37 PolarHBondContact OD1-OG 3.2Å; D35-S37 VanDerWaalsContact OD1-OG 3.05Å; D35-S37 PolarHBondContact OD2-OG 2.86Å; D35-S37 VanDerWaalsContact OD2-OG 3.12Å; D35-R62 WeakPolarHBondContact O-CB 3.41Å; D35-R62 IonicContact OD2-CZ 3.69Å; D35-R62 IonicContact OD2-NE 2.84Å; D35-R62 IonicContact OD2-NH2 3.52Å; D35-R62 PolarHBondContact OD2-NH2 3.23Å |
| 36 | E | 97.3 | Very high | 97.9 | Very high | 140 Ų | 140 | 47.7 Ų | 47.7 | 65% | 0.654 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 68.6 | 5.5 | 178.4 | -53.2 | 178.6 | 165.4 | 0 | 0 | 114.9 | L33 R34 R62 | L33-E36 PolarHBondContact O-N 2.76Å; R34-E36 PolarHBondContact O-N 3.39Å; E36-R62 HydrophobicContact CB-CB 4.45Å |
| 37 | S | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | trans | -72.4 | 155.9 | 168.1 | -51 | 0 | 0 | 0 | 0 | 111 | L33 D35 Y59 T60 | L33-S37 WeakPolarHBondContact CB-O 3.2Å; L33-S37 PolarHBondContact N-O 2.86Å; D35-S37 PolarHBondContact O-N 3.09Å; D35-S37 WeakPolarHBondContact OD1-CB 3.43Å; D35-S37 PolarHBondContact OD1-N 2.82Å; D35-S37 PolarHBondContact OD1-OG 3.2Å; D35-S37 VanDerWaalsContact OD1-OG 3.05Å; D35-S37 PolarHBondContact OD2-OG 2.86Å; D35-S37 VanDerWaalsContact OD2-OG 3.12Å; S37-Y59 WeakPolarHBondContact CB-OH 3.29Å; S37-Y59 PolarHBondContact OG-OH 3.29Å; S37-Y59 VanDerWaalsContact OG-OH 3.07Å; S37-T60 CarbonylContact C-O 3.53Å; S37-T60 WeakPolarHBondContact CA-O 3.2Å; S37-T60 WeakPolarHBondContact CB-O 3.46Å | ||
| 38 | V | 98.6 | Very high | 97.8 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 26% | 0.261 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131 | -176.7 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | T30 Y59 T60 | T30-V38 HydrophobicContact CG2-CG1 3.35Å; V38-Y59 CarbonylContact O-C 3.58Å; V38-Y59 WeakPolarHBondContact O-CA 3.38Å; V38-T60 PolarHBondContact N-O 2.85Å; V38-T60 PolarHBondContact O-N 3.06Å |
| 39 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 111.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110 | T30 V31 L33 L54 V57 Y59 L72 | T30-A39 CarbonylContact C-O 3.57Å; V31-A39 HydrophobicContact CB-CB 4.46Å; V31-A39 PolarHBondContact N-O 3.12Å; V31-A39 PolarHBondContact O-N 3.49Å; L33-A39 HydrophobicContact CD1-CB 4.13Å; A39-L54 HydrophobicContact CB-CD1 3.72Å; A39-V57 HydrophobicContact CB-CG1 4.07Å; A39-Y59 HydrophobicContact CB-CD2 4.24Å; A39-L72 HydrophobicContact CB-CD2 3.69Å |
| 40 | H | 98.6 | Very high | 97.7 | Very high | 82 Ų | 82 | 48.6 Ų | 48.6 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 116.9 | 175.2 | -179.8 | 79.3 | 0 | 0 | 0 | 110.2 | V28 T30 V57 T58 | V28-H40 WeakPolarHBondContact CG1-NE2 3.44Å; T30-H40 PolarHBondContact OG1-ND1 3.49Å; H40-V57 CarbonylContact O-C 3.49Å; H40-V57 VanDerWaalsContact O-CA 3.27Å; H40-V57 WeakPolarHBondContact O-CA 3.49Å; H40-T58 PolarHBondContact N-O 2.94Å; H40-T58 PolarHBondContact O-N 3.06Å |
| 41 | G | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | -179.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V28 T29 | V28-G41 WeakPolarHBondContact CA-O 3.48Å; T29-G41 PolarHBondContact N-O 3.11Å; T29-G41 PolarHBondContact O-N 3.48Å |
| 42 | R | 98.4 | Very high | 97.6 | Very high | 96 Ų | 96 | 49 Ų | 49 | 36% | 0.362 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 130.3 | 177.8 | -170.2 | -176 | 67.8 | -165.7 | -2.7 | 110.7 | G26 R27 V28 D44 L54 A55 | G26-R42 WeakPolarHBondContact O-CD 3.13Å; G26-R42 WeakPolarHBondContact O-CG 3.27Å; R27-R42 CarbonylContact O-C 3.59Å; R27-R42 WeakPolarHBondContact O-CA 3.49Å; V28-R42 HydrophobicContact CG2-CB 4.17Å; V28-R42 HydrophobicContact CG2-CG 4.5Å; R42-D44 IonicContact CZ-OD1 2.61Å; R42-D44 VanDerWaalsContact CZ-OD1 3.29Å; R42-D44 IonicContact NE-OD1 3.52Å; R42-D44 PolarHBondContact NE-OD1 3.3Å; R42-D44 IonicContact NH2-OD1 3.21Å; R42-D44 PolarHBondContact NH2-OD1 3.45Å; R42-D44 IonicContact NH2-OD2 3.46Å; R42-D44 PolarHBondContact O-N 2.75Å; R42-L54 CarbonylContact O-C 3.55Å; R42-L54 VanDerWaalsContact O-CA 3.23Å; R42-L54 WeakPolarHBondContact O-CA 3.22Å; R42-A55 PolarHBondContact N-O 3.5Å; R42-A55 PolarHBondContact O-N 3.3Å |
| 43 | I | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 113.7 | 172.4 | -61.6 | 174.2 | 0 | 0 | 0 | 109.1 | L24 Q25 G26 R27 T29 V46 I52 L54 | L24-I43 HydrophobicContact CB-CD1 3.86Å; Q25-I43 HydrophobicContact CG-CG2 4.23Å; G26-I43 PolarHBondContact N-O 2.88Å; R27-I43 PolarHBondContact O-N 2.91Å; T29-I43 HydrophobicContact CG2-CD1 3.86Å; T29-I43 HydrophobicContact CG2-CG1 4.45Å; T29-I43 WeakPolarHBondContact OG1-CD1 3.35Å; T29-I43 WeakPolarHBondContact OG1-CG1 3.43Å; I43-V46 HydrophobicContact CG2-CG2 3.46Å; I43-V46 VanDerWaalsContact CG2-CG2 3.46Å; I43-I52 HydrophobicContact CG1-CG2 4.44Å; I43-I52 HydrophobicContact CG2-CG2 4.48Å; I43-L54 HydrophobicContact CG1-CD2 3.84Å |
| 44 | D | 97.3 | Very high | 97.6 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -40.4 | 174.1 | -87.6 | 11.8 | 0 | 0 | 0 | 111.1 | R42 R53 A55 | R42-D44 IonicContact CZ-OD1 2.61Å; R42-D44 VanDerWaalsContact CZ-OD1 3.29Å; R42-D44 IonicContact NE-OD1 3.52Å; R42-D44 PolarHBondContact NE-OD1 3.3Å; R42-D44 IonicContact NH2-OD1 3.21Å; R42-D44 PolarHBondContact NH2-OD1 3.45Å; R42-D44 IonicContact NH2-OD2 3.46Å; R42-D44 PolarHBondContact O-N 2.75Å; D44-R53 PolarHBondContact N-O 3.37Å; D44-A55 VanDerWaalsContact OD2-CB 3.29Å; D44-A55 WeakPolarHBondContact OD2-CB 3.38Å |
| 45 | N | 96.3 | Very high | 97.6 | Very high | 78 Ų | 78 | 46.3 Ų | 46.3 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 152.4 | 174.9 | -168.3 | 28.8 | 0 | 0 | 0 | 112.2 | Q25 R53 | Q25-N45 PolarHBondContact NE2-OD1 3.41Å; Q25-N45 VanDerWaalsContact NE2-OD1 3.11Å; N45-R53 HydrophobicContact CB-CB 4.43Å; N45-R53 PolarHBondContact N-O 3.41Å; N45-R53 PolarHBondContact O-N 3.48Å |
| 46 | V | 97 | Very high | 97.7 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 124 | 173.2 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | I18 L21 Q22 I43 N51 I52 | I18-V46 HydrophobicContact CD1-CG1 3.67Å; I18-V46 HydrophobicContact CG1-CG1 4.21Å; L21-V46 HydrophobicContact CB-CG1 4.2Å; L21-V46 HydrophobicContact CB-CG2 4.5Å; Q22-V46 HydrophobicContact CG-CB 4.16Å; Q22-V46 HydrophobicContact CG-CG1 4.48Å; Q22-V46 WeakPolarHBondContact CG-O 3.41Å; Q22-V46 PolarHBondContact NE2-O 2.56Å; I43-V46 HydrophobicContact CG2-CG2 3.46Å; I43-V46 VanDerWaalsContact CG2-CG2 3.46Å; V46-N51 WeakPolarHBondContact CA-O 3.48Å; V46-I52 HydrophobicContact CG1-CG1 4.33Å; V46-I52 HydrophobicContact CG2-CG1 4.29Å; V46-I52 HydrophobicContact CG2-CG2 4.23Å |
| 47 | D | 95.6 | Very high | 97.8 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 19% | 0.187 | 21% | 0.209 | C | C | . | . | trans | -86.5 | -179.7 | 177.9 | 78.8 | 3.3 | 0 | 0 | 0 | 113 | I18 F49 M50 N51 | I18-D47 VanDerWaalsContact CG1-O 3.22Å; I18-D47 WeakPolarHBondContact CG1-O 3.47Å; D47-F49 PolarHBondContact O-N 3.23Å; D47-F49 VanDerWaalsContact OD1-C 3.25Å; D47-F49 WeakPolarHBondContact OD1-CA 3.33Å; D47-F49 PolarHBondContact OD1-N 2.91Å; D47-M50 PolarHBondContact O-N 3.02Å; D47-M50 PolarHBondContact OD1-N 3.4Å; D47-N51 PolarHBondContact N-O 2.85Å; D47-N51 VanDerWaalsContact N-O 3.1Å; D47-N51 WeakPolarHBondContact OD1-CB 3.33Å; D47-N51 PolarHBondContact OD1-N 2.81Å; D47-N51 WeakPolarHBondContact OD2-CB 3.33Å; D47-N51 PolarHBondContact OD2-ND2 2.81Å | ||
| 48 | A | 96.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -10.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E9 I12 | E9-A48 HydrophobicContact CB-CB 3.91Å; E9-A48 HydrophobicContact CG-CB 4.12Å; I12-A48 HydrophobicContact CB-CB 3.99Å; I12-A48 HydrophobicContact CG2-CB 3.9Å; I12-A48 WeakPolarHBondContact CG2-O 3.48Å |
| 49 | F | 96.5 | Very high | 97.8 | Very high | 120 Ų | 120 | 47 Ų | 47 | 53% | 0.526 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 16.1 | -178.6 | -57.1 | -76.2 | 0 | 0 | 0 | 112.5 | I12 D47 N51 | I12-F49 HydrophobicContact CD1-CE1 4.16Å; I12-F49 HydrophobicContact CD1-CZ 3.94Å; D47-F49 PolarHBondContact O-N 3.23Å; D47-F49 VanDerWaalsContact OD1-C 3.25Å; D47-F49 WeakPolarHBondContact OD1-CA 3.33Å; D47-F49 PolarHBondContact OD1-N 2.91Å; F49-N51 PolarHBondContact O-N 3.24Å |
| 50 | M | 97.3 | Very high | 97.8 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 35% | 0.345 | 23% | 0.227 | S | C | . | . | trans | 64.8 | 21.2 | -179.6 | -157.1 | -178.6 | -65.8 | 0 | 0 | 114.1 | I18 L21 D47 I52 G76 V79 | I18-M50 HydrophobicContact CD1-CB 3.72Å; I18-M50 HydrophobicContact CD1-CE 4.22Å; I18-M50 HydrophobicContact CD1-CG 3.78Å; L21-M50 HydrophobicContact CD1-CG 4.14Å; L21-M50 HydrophobicContact CD1-SD 4.5Å; D47-M50 PolarHBondContact O-N 3.02Å; D47-M50 PolarHBondContact OD1-N 3.4Å; M50-I52 WeakPolarHBondContact O-CG1 3.38Å; M50-I52 PolarHBondContact O-N 3.26Å; M50-G76 VanDerWaalsContact C-CA 3.42Å; M50-G76 WeakPolarHBondContact O-CA 3.43Å; M50-G76 PolarHBondContact O-N 3.43Å; M50-V79 HydrophobicContact CG-CG2 4.48Å; M50-V79 HydrophobicContact SD-CB 4.03Å; M50-V79 HydrophobicContact SD-CG1 3.97Å | ||
| 51 | N | 97.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 21% | 0.209 | 22% | 0.218 | C | C | . | . | trans | -72.1 | 124.4 | 164.9 | -57.2 | -52.1 | 0 | 0 | 0 | 108.7 | V46 D47 F49 F73 V74 T75 G76 | V46-N51 WeakPolarHBondContact CA-O 3.48Å; D47-N51 PolarHBondContact N-O 2.85Å; D47-N51 VanDerWaalsContact N-O 3.1Å; D47-N51 WeakPolarHBondContact OD1-CB 3.33Å; D47-N51 PolarHBondContact OD1-N 2.81Å; D47-N51 WeakPolarHBondContact OD2-CB 3.33Å; D47-N51 PolarHBondContact OD2-ND2 2.81Å; F49-N51 PolarHBondContact O-N 3.24Å; N51-F73 HydrophobicContact CB-CE2 3.82Å; N51-F73 HydrophobicContact CB-CZ 3.59Å; N51-V74 WeakPolarHBondContact CA-O 3.4Å; N51-T75 WeakPolarHBondContact OD1-CA 3.46Å; N51-G76 PolarHBondContact OD1-N 3.21Å | ||
| 52 | I | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.9 | -173.6 | -53.2 | 176.4 | 0 | 0 | 0 | 108.4 | V31 I43 V46 M50 L54 V74 V79 V82 | V31-I52 HydrophobicContact CG1-CD1 4.29Å; V31-I52 HydrophobicContact CG2-CD1 4.14Å; I43-I52 HydrophobicContact CG1-CG2 4.44Å; I43-I52 HydrophobicContact CG2-CG2 4.48Å; V46-I52 HydrophobicContact CG1-CG1 4.33Å; V46-I52 HydrophobicContact CG2-CG1 4.29Å; V46-I52 HydrophobicContact CG2-CG2 4.23Å; M50-I52 WeakPolarHBondContact O-CG1 3.38Å; M50-I52 PolarHBondContact O-N 3.26Å; I52-L54 HydrophobicContact CG2-CD2 3.73Å; I52-L54 HydrophobicContact CG2-CG 3.84Å; I52-V74 PolarHBondContact N-O 2.8Å; I52-V74 PolarHBondContact O-N 3.42Å; I52-V79 HydrophobicContact CD1-CG2 4.13Å; I52-V82 HydrophobicContact CD1-CG2 4.06Å |
| 53 | R | 98.2 | Very high | 97.6 | Very high | 127 Ų | 127 | 57 Ų | 57 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.6 | 166.9 | -168 | 174 | -169.6 | 171.2 | 5.6 | 108.9 | D44 N45 D71 | D44-R53 PolarHBondContact N-O 3.37Å; N45-R53 HydrophobicContact CB-CB 4.43Å; N45-R53 PolarHBondContact N-O 3.41Å; N45-R53 PolarHBondContact O-N 3.48Å; R53-D71 WeakPolarHBondContact CG-OD1 3.41Å; R53-D71 IonicContact CZ-OD1 3.91Å; R53-D71 IonicContact CZ-OD2 3.62Å; R53-D71 IonicContact NE-OD1 3.85Å; R53-D71 PolarHBondContact NE-OD1 3.25Å; R53-D71 IonicContact NE-OD2 2.74Å; R53-D71 PolarHBondContact NE-OD2 3.32Å; R53-D71 VanDerWaalsContact NE-OD2 3.12Å; R53-D71 IonicContact NH2-OD1 3.86Å; R53-D71 IonicContact NH2-OD2 3.36Å; R53-D71 PolarHBondContact NH2-OD2 3.31Å |
| 54 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 140 | -179.5 | -64.7 | 171.3 | 0 | 0 | 0 | 109.9 | V31 A39 R42 I43 I52 V57 D71 L72 V74 | V31-L54 HydrophobicContact CG2-CD1 4.2Å; V31-L54 HydrophobicContact CG2-CD2 4.46Å; A39-L54 HydrophobicContact CB-CD1 3.72Å; R42-L54 CarbonylContact O-C 3.55Å; R42-L54 VanDerWaalsContact O-CA 3.23Å; R42-L54 WeakPolarHBondContact O-CA 3.22Å; I43-L54 HydrophobicContact CG1-CD2 3.84Å; I52-L54 HydrophobicContact CG2-CD2 3.73Å; I52-L54 HydrophobicContact CG2-CG 3.84Å; L54-V57 HydrophobicContact CB-CG2 3.43Å; L54-V57 VanDerWaalsContact CB-CG2 3.43Å; L54-D71 CarbonylContact O-C 3.56Å; L54-D71 WeakPolarHBondContact O-CA 3.33Å; L54-L72 HydrophobicContact CB-CB 4.46Å; L54-L72 HydrophobicContact CD1-CD2 4.5Å; L54-L72 PolarHBondContact N-O 2.97Å; L54-L72 PolarHBondContact O-N 3.14Å; L54-V74 HydrophobicContact CD1-CG2 4.32Å |
| 55 | A | 98.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 61.9 Ų | 61.9 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 152.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R42 D44 D70 | R42-A55 PolarHBondContact N-O 3.5Å; R42-A55 PolarHBondContact O-N 3.3Å; D44-A55 VanDerWaalsContact OD2-CB 3.29Å; D44-A55 WeakPolarHBondContact OD2-CB 3.38Å; A55-D70 CarbonylContact C-O 3.59Å; A55-D70 WeakPolarHBondContact CA-O 3.14Å |
| 56 | K | 98.3 | Very high | 97.6 | Very high | 160 Ų | 160 | 64.9 Ų | 64.9 | 70% | 0.696 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.3 | 62.9 | -179.7 | -59.6 | -178 | 179.9 | -178.7 | 0 | 111.6 | D70 | K56-D70 PolarHBondContact N-O 3.36Å |
| 57 | V | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.5 | -167.2 | -169.4 | 0 | 0 | 0 | 0 | 110.8 | A39 H40 L54 K68 L69 L72 | A39-V57 HydrophobicContact CB-CG1 4.07Å; H40-V57 CarbonylContact O-C 3.49Å; H40-V57 VanDerWaalsContact O-CA 3.27Å; H40-V57 WeakPolarHBondContact O-CA 3.49Å; L54-V57 HydrophobicContact CB-CG2 3.43Å; L54-V57 VanDerWaalsContact CB-CG2 3.43Å; V57-K68 CarbonylContact O-C 3.52Å; V57-K68 WeakPolarHBondContact O-CA 3.37Å; V57-L69 HydrophobicContact CB-CB 4.46Å; V57-L69 PolarHBondContact N-O 3.04Å; V57-L69 PolarHBondContact O-N 3.02Å; V57-L72 HydrophobicContact CB-CB 4.31Å; V57-L72 HydrophobicContact CG1-CB 4.37Å; V57-L72 HydrophobicContact CG1-CD2 3.91Å; V57-L72 HydrophobicContact CG2-CB 3.9Å |
| 58 | T | 98.6 | Very high | 97.8 | Very high | 39 Ų | 39 | 75.4 Ų | 75.4 | 24% | 0.239 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 107 | 158.5 | -57.7 | 0 | 0 | 0 | 0 | 106.9 | H40 Q66 | H40-T58 PolarHBondContact N-O 2.94Å; H40-T58 PolarHBondContact O-N 3.06Å; T58-Q66 HydrophobicContact CG2-CB 4.48Å |
| 59 | Y | 98.6 | Very high | 97.9 | Very high | 54 Ų | 54 | 77.9 Ų | 77.9 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.3 | 176.2 | -179.9 | -97.7 | 0 | 0 | 0 | 109.4 | L33 S37 V38 A39 D61 Q66 V67 L72 | L33-Y59 HydrophobicContact CD2-CE2 4.43Å; S37-Y59 WeakPolarHBondContact CB-OH 3.29Å; S37-Y59 PolarHBondContact OG-OH 3.29Å; S37-Y59 VanDerWaalsContact OG-OH 3.07Å; V38-Y59 CarbonylContact O-C 3.58Å; V38-Y59 WeakPolarHBondContact O-CA 3.38Å; A39-Y59 HydrophobicContact CB-CD2 4.24Å; Y59-D61 HydrophobicContact CE1-CB 4.18Å; Y59-Q66 CarbonylContact O-C 3.58Å; Y59-Q66 VanDerWaalsContact O-CA 3.3Å; Y59-Q66 WeakPolarHBondContact O-CA 3.12Å; Y59-V67 PolarHBondContact N-O 3.03Å; Y59-V67 PolarHBondContact O-N 3.44Å; Y59-L72 HydrophobicContact CD2-CD2 3.88Å |
| 60 | T | 98.6 | Very high | 97.9 | Very high | 31 Ų | 31 | 79.1 Ų | 79.1 | 19% | 0.19 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.4 | 175.2 | -50.1 | 0 | 0 | 0 | 0 | 107.8 | S37 V38 H65 Q66 | S37-T60 CarbonylContact C-O 3.53Å; S37-T60 WeakPolarHBondContact CA-O 3.2Å; S37-T60 WeakPolarHBondContact CB-O 3.46Å; V38-T60 PolarHBondContact N-O 2.85Å; V38-T60 PolarHBondContact O-N 3.06Å; T60-H65 WeakPolarHBondContact CA-O 3.38Å; T60-Q66 HydrophobicContact CG2-CG 4.04Å |
| 61 | D | 97.5 | Very high | 98 | Very high | 34 Ų | 34 | 79.2 Ų | 79.2 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | trans | -71.8 | 171.1 | 174.1 | 73.8 | 16.1 | 0 | 0 | 0 | 111.7 | Y59 W63 G64 H65 | Y59-D61 HydrophobicContact CE1-CB 4.18Å; D61-W63 HydrophobicContact CB-CE3 4.36Å; D61-W63 PolarHBondContact O-N 3.26Å; D61-W63 VanDerWaalsContact O-N 3.09Å; D61-W63 VanDerWaalsContact OD1-C 3.25Å; D61-W63 VanDerWaalsContact OD1-CA 3.27Å; D61-W63 WeakPolarHBondContact OD1-CA 3.36Å; D61-W63 WeakPolarHBondContact OD1-CB 3.4Å; D61-W63 PolarHBondContact OD1-N 3.41Å; D61-G64 PolarHBondContact O-N 3.3Å; D61-G64 PolarHBondContact OD1-N 3.11Å; D61-H65 PolarHBondContact N-O 3.06Å; D61-H65 IonicContact OD1-CG 3.52Å; D61-H65 PolarHBondContact OD1-N 3.04Å; D61-H65 IonicContact OD1-ND1 2.91Å; D61-H65 WeakPolarHBondContact OD2-CB 3.35Å; D61-H65 IonicContact OD2-CG 3.8Å; D61-H65 IonicContact OD2-ND1 3.48Å; D61-H65 PolarHBondContact OD2-ND1 2.96Å | ||
| 62 | R | 96.4 | Very high | 98 | Very high | 130 Ų | 130 | 79 Ų | 79 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -17.5 | 176.7 | 74.3 | -176 | 74.8 | -179.9 | 2.1 | 114.8 | D35 E36 | D35-R62 WeakPolarHBondContact O-CB 3.41Å; D35-R62 IonicContact OD2-CZ 3.69Å; D35-R62 IonicContact OD2-NE 2.84Å; D35-R62 IonicContact OD2-NH2 3.52Å; D35-R62 PolarHBondContact OD2-NH2 3.23Å; E36-R62 HydrophobicContact CB-CB 4.45Å |
| 63 | W | 97 | Very high | 98 | Very high | 195 Ų | 195 | 84.8 Ų | 84.8 | 74% | 0.739 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -2 | 179 | -58.7 | -70.1 | 0 | 0 | 0 | 112.2 | D61 | D61-W63 HydrophobicContact CB-CE3 4.36Å; D61-W63 PolarHBondContact O-N 3.26Å; D61-W63 VanDerWaalsContact O-N 3.09Å; D61-W63 VanDerWaalsContact OD1-C 3.25Å; D61-W63 VanDerWaalsContact OD1-CA 3.27Å; D61-W63 WeakPolarHBondContact OD1-CA 3.36Å; D61-W63 WeakPolarHBondContact OD1-CB 3.4Å; D61-W63 PolarHBondContact OD1-N 3.41Å |
| 64 | G | 95.9 | Very high | 98 | Very high | 47 Ų | 47 | 79.1 Ų | 79.1 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | trans | 90.7 | 3.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | D61 Q66 | D61-G64 PolarHBondContact O-N 3.3Å; D61-G64 PolarHBondContact OD1-N 3.11Å; G64-Q66 PolarHBondContact O-N 3.45Å | ||
| 65 | H | 97.9 | Very high | 98 | Very high | 121 Ų | 121 | 81.8 Ų | 81.8 | 56% | 0.56 | 40% | 0.398 | S | S | * | . | trans | -73.6 | 130.6 | 175.7 | -52 | 117 | 0 | 0 | 0 | 110.6 | T60 D61 | T60-H65 WeakPolarHBondContact CA-O 3.38Å; D61-H65 PolarHBondContact N-O 3.06Å; D61-H65 IonicContact OD1-CG 3.52Å; D61-H65 PolarHBondContact OD1-N 3.04Å; D61-H65 IonicContact OD1-ND1 2.91Å; D61-H65 WeakPolarHBondContact OD2-CB 3.35Å; D61-H65 IonicContact OD2-CG 3.8Å; D61-H65 IonicContact OD2-ND1 3.48Å; D61-H65 PolarHBondContact OD2-ND1 2.96Å | ||
| 66 | Q | 98.1 | Very high | 98 | Very high | 141 Ų | 141 | 81.9 Ų | 81.9 | 66% | 0.659 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.9 | -178.9 | -64.2 | -174.4 | 11.3 | 0 | 0 | 111.6 | T58 Y59 T60 G64 | T58-Q66 HydrophobicContact CG2-CB 4.48Å; Y59-Q66 CarbonylContact O-C 3.58Å; Y59-Q66 VanDerWaalsContact O-CA 3.3Å; Y59-Q66 WeakPolarHBondContact O-CA 3.12Å; T60-Q66 HydrophobicContact CG2-CG 4.04Å; G64-Q66 PolarHBondContact O-N 3.45Å |
| 67 | V | 98.3 | Very high | 97.9 | Very high | 76 Ų | 76 | 83.6 Ų | 83.6 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.7 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | Y59 L69 | Y59-V67 PolarHBondContact N-O 3.03Å; Y59-V67 PolarHBondContact O-N 3.44Å; V67-L69 HydrophobicContact CG1-CD2 3.83Å; V67-L69 HydrophobicContact CG1-CG 4.25Å |
| 68 | K | 98.4 | Very high | 97.9 | Very high | 181 Ų | 181 | 87 Ų | 87 | 79% | 0.787 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129.7 | 172.8 | -65.8 | -176.8 | -178.5 | 178.2 | 0 | 109.4 | V57 | V57-K68 CarbonylContact O-C 3.52Å; V57-K68 WeakPolarHBondContact O-CA 3.37Å |
| 69 | L | 98.3 | Very high | 97.9 | Very high | 59 Ų | 59 | 85.6 Ų | 85.6 | 31% | 0.309 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142 | -178.5 | -58.2 | 173.1 | 0 | 0 | 0 | 109.2 | V57 V67 L72 | V57-L69 HydrophobicContact CB-CB 4.46Å; V57-L69 PolarHBondContact N-O 3.04Å; V57-L69 PolarHBondContact O-N 3.02Å; V67-L69 HydrophobicContact CG1-CD2 3.83Å; V67-L69 HydrophobicContact CG1-CG 4.25Å; L69-L72 HydrophobicContact CD1-CB 4.49Å; L69-L72 HydrophobicContact CD1-CD1 3.96Å |
| 70 | D | 98 | Very high | 97.9 | Very high | 147 Ų | 147 | 88.6 Ų | 88.6 | 79% | 0.786 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -35.5 | 176.5 | -69.8 | -39.5 | 0 | 0 | 0 | 112.3 | A55 K56 | A55-D70 CarbonylContact C-O 3.59Å; A55-D70 WeakPolarHBondContact CA-O 3.14Å; K56-D70 PolarHBondContact N-O 3.36Å |
| 71 | D | 98.1 | Very high | 97.9 | Very high | 72 Ų | 72 | 93 Ų | 93 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 138.5 | 179.9 | -171.1 | 43.3 | 0 | 0 | 0 | 109.2 | R53 L54 | R53-D71 WeakPolarHBondContact CG-OD1 3.41Å; R53-D71 IonicContact CZ-OD1 3.91Å; R53-D71 IonicContact CZ-OD2 3.62Å; R53-D71 IonicContact NE-OD1 3.85Å; R53-D71 PolarHBondContact NE-OD1 3.25Å; R53-D71 IonicContact NE-OD2 2.74Å; R53-D71 PolarHBondContact NE-OD2 3.32Å; R53-D71 VanDerWaalsContact NE-OD2 3.12Å; R53-D71 IonicContact NH2-OD1 3.86Å; R53-D71 IonicContact NH2-OD2 3.36Å; R53-D71 PolarHBondContact NH2-OD2 3.31Å; L54-D71 CarbonylContact O-C 3.56Å; L54-D71 WeakPolarHBondContact O-CA 3.33Å |
| 72 | L | 98.4 | Very high | 97.9 | Very high | 33 Ų | 33 | 92.8 Ų | 92.8 | 17% | 0.173 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 130.4 | 175.2 | -179.1 | 68.7 | 0 | 0 | 0 | 109.7 | A39 L54 V57 Y59 L69 V74 | A39-L72 HydrophobicContact CB-CD2 3.69Å; L54-L72 HydrophobicContact CB-CB 4.46Å; L54-L72 HydrophobicContact CD1-CD2 4.5Å; L54-L72 PolarHBondContact N-O 2.97Å; L54-L72 PolarHBondContact O-N 3.14Å; V57-L72 HydrophobicContact CB-CB 4.31Å; V57-L72 HydrophobicContact CG1-CB 4.37Å; V57-L72 HydrophobicContact CG1-CD2 3.91Å; V57-L72 HydrophobicContact CG2-CB 3.9Å; Y59-L72 HydrophobicContact CD2-CD2 3.88Å; L69-L72 HydrophobicContact CD1-CB 4.49Å; L69-L72 HydrophobicContact CD1-CD1 3.96Å; L72-V74 HydrophobicContact CD2-CG2 4.02Å; L72-V74 HydrophobicContact CG-CG2 4.16Å |
| 73 | F | 98.4 | Very high | 98 | Very high | 124 Ų | 124 | 90.8 Ų | 90.8 | 54% | 0.544 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.8 | 173.4 | -178.3 | -100.3 | 0 | 0 | 0 | 110.5 | N51 T75 | N51-F73 HydrophobicContact CB-CE2 3.82Å; N51-F73 HydrophobicContact CB-CZ 3.59Å; F73-T75 HydrophobicContact CE1-CG2 4.16Å |
| 74 | V | 98.1 | Very high | 98 | Very high | 7 Ų | 7 | 84.2 Ų | 84.2 | 4% | 0.042 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123.3 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 109 | L33 N51 I52 L54 L72 V79 | L33-V74 HydrophobicContact CD2-CG1 4.33Å; L33-V74 HydrophobicContact CG-CG1 4.28Å; N51-V74 WeakPolarHBondContact CA-O 3.4Å; I52-V74 PolarHBondContact N-O 2.8Å; I52-V74 PolarHBondContact O-N 3.42Å; L54-V74 HydrophobicContact CD1-CG2 4.32Å; L72-V74 HydrophobicContact CD2-CG2 4.02Å; L72-V74 HydrophobicContact CG-CG2 4.16Å; V74-V79 HydrophobicContact CG1-CG2 3.79Å |
| 75 | T | 98.1 | Very high | 98 | Very high | 57 Ų | 57 | 83.3 Ų | 83.3 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | trans | -71 | 134.9 | 174.4 | 58.2 | 0 | 0 | 0 | 0 | 110.5 | N51 F73 R77 N78 | N51-T75 WeakPolarHBondContact OD1-CA 3.46Å; F73-T75 HydrophobicContact CE1-CG2 4.16Å; T75-R77 PolarHBondContact O-N 3.15Å; T75-R77 VanDerWaalsContact O-N 3.13Å; T75-N78 PolarHBondContact O-N 3.23Å; T75-N78 PolarHBondContact OG1-ND2 2.89Å; T75-N78 VanDerWaalsContact OG1-ND2 3.09Å | ||
| 76 | G | 97.5 | Very high | 97.9 | Very high | 9 Ų | 9 | 85.7 Ų | 85.7 | 9% | 0.093 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -58.9 | -31.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | M50 N51 N78 V79 | M50-G76 VanDerWaalsContact C-CA 3.42Å; M50-G76 WeakPolarHBondContact O-CA 3.43Å; M50-G76 PolarHBondContact O-N 3.43Å; N51-G76 PolarHBondContact OD1-N 3.21Å; G76-N78 PolarHBondContact O-N 3.13Å; G76-N78 VanDerWaalsContact O-N 3.16Å; G76-V79 PolarHBondContact O-N 2.71Å; G76-V79 VanDerWaalsContact O-N 3.15Å |
| 77 | R | 97.8 | Very high | 97.8 | Very high | 197 Ų | 197 | 84.4 Ų | 84.4 | 74% | 0.743 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -60.8 | -24.8 | 174.4 | -174.6 | 173.4 | -177.3 | -111.5 | 2.9 | 113.2 | R34 T75 | R34-R77 WeakPolarHBondContact CD-O 3.31Å; R34-R77 PolarHBondContact NE-O 3.34Å; R34-R77 PolarHBondContact NH1-O 3.17Å; T75-R77 PolarHBondContact O-N 3.15Å; T75-R77 VanDerWaalsContact O-N 3.13Å |
| 78 | N | 98 | Very high | 97.7 | Very high | 72 Ų | 72 | 81.4 Ų | 81.4 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -95.4 | -0.5 | -178.5 | -68.1 | -16.1 | 0 | 0 | 0 | 113 | L33 R34 T75 G76 | L33-N78 CarbonylContact C-O 3.58Å; L33-N78 WeakPolarHBondContact CA-O 3.41Å; R34-N78 PolarHBondContact N-O 3.29Å; T75-N78 PolarHBondContact O-N 3.23Å; T75-N78 PolarHBondContact OG1-ND2 2.89Å; T75-N78 VanDerWaalsContact OG1-ND2 3.09Å; G76-N78 PolarHBondContact O-N 3.13Å; G76-N78 VanDerWaalsContact O-N 3.16Å |
| 79 | V | 98.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 77.5 Ų | 77.5 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 137.3 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 109.8 | V31 R34 M50 I52 V74 G76 V82 | V31-V79 HydrophobicContact CG1-CG1 4.1Å; V31-V79 HydrophobicContact CG1-CG2 4.24Å; R34-V79 PolarHBondContact NE-O 3.05Å; M50-V79 HydrophobicContact CG-CG2 4.48Å; M50-V79 HydrophobicContact SD-CB 4.03Å; M50-V79 HydrophobicContact SD-CG1 3.97Å; I52-V79 HydrophobicContact CD1-CG2 4.13Å; V74-V79 HydrophobicContact CG1-CG2 3.79Å; G76-V79 PolarHBondContact O-N 2.71Å; G76-V79 VanDerWaalsContact O-N 3.15Å; V79-V82 HydrophobicContact CG1-CG2 3.79Å |
| 80 | R | 98.1 | Very high | 97.7 | Very high | 117 Ų | 117 | 78.5 Ų | 78.5 | 44% | 0.442 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -51.3 | 172 | -175.2 | 169.1 | 64.4 | 113.7 | -2.3 | 111.5 | D32 R34 | D32-R80 WeakPolarHBondContact O-CA 3.36Å; D32-R80 WeakPolarHBondContact O-CB 3.48Å; D32-R80 PolarHBondContact O-N 2.88Å; R34-R80 HydrophobicContact CG-CB 4.12Å |
| 81 | Y | 98.4 | Very high | 97.7 | Very high | 124 Ų | 124 | 75.6 Ų | 75.6 | 49% | 0.486 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 146.7 | 175.4 | -54.7 | -51.5 | 0 | 0 | 0 | 111.3 | V31 D32 | V31-Y81 CarbonylContact C-O 3.44Å; V31-Y81 WeakPolarHBondContact CA-O 3.14Å; D32-Y81 HydrophobicContact CB-CD2 4.09Å; D32-Y81 PolarHBondContact N-O 3.11Å; D32-Y81 PolarHBondContact O-N 3.13Å; D32-Y81 VanDerWaalsContact O-N 3.09Å |
| 82 | V | 98.3 | Very high | 97.7 | Very high | 29 Ų | 29 | 74 Ų | 74 | 18% | 0.176 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 117.8 | 164.3 | -176.8 | 0 | 0 | 0 | 0 | 106.7 | L21 V31 I52 V79 I84 | L21-V82 HydrophobicContact CD1-CB 4.49Å; L21-V82 HydrophobicContact CD1-CG2 3.95Å; L21-V82 HydrophobicContact CD2-CB 3.89Å; L21-V82 HydrophobicContact CD2-CG1 3.69Å; L21-V82 HydrophobicContact CD2-CG2 4.24Å; V31-V82 HydrophobicContact CG1-CG2 4.41Å; V31-V82 HydrophobicContact CG2-CG1 4.38Å; V31-V82 HydrophobicContact CG2-CG2 4.37Å; I52-V82 HydrophobicContact CD1-CG2 4.06Å; V79-V82 HydrophobicContact CG1-CG2 3.79Å; V82-I84 PolarHBondContact O-N 3.17Å |
| 83 | H | 98.4 | Very high | 97.6 | Very high | 88 Ų | 88 | 72.7 Ų | 72.7 | 41% | 0.407 | 36% | 0.361 | S | S | . | . | trans | -77.1 | 109.3 | -179.8 | -66.2 | -98.2 | 0 | 0 | 0 | 108.8 | T29 T30 D32 | T29-H83 WeakPolarHBondContact CB-O 3.4Å; T30-H83 WeakPolarHBondContact O-CB 3.36Å; T30-H83 PolarHBondContact O-CD2 3.16Å; T30-H83 VanDerWaalsContact O-CD2 3.26Å; T30-H83 PolarHBondContact O-N 2.83Å; D32-H83 IonicContact OD1-NE2 2.99Å; D32-H83 PolarHBondContact OD1-NE2 3.37Å; D32-H83 IonicContact OD2-CD2 3.83Å; D32-H83 IonicContact OD2-CE1 2.97Å; D32-H83 IonicContact OD2-NE2 3.12Å; D32-H83 PolarHBondContact OD2-NE2 3.46Å | ||
| 84 | I | 97.2 | Very high | 97.6 | Very high | 56 Ų | 56 | 68.5 Ų | 68.5 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | trans | -77.1 | 129.1 | 178.2 | -57.4 | 174.8 | 0 | 0 | 0 | 108 | L20 L24 V82 V88 I90 | L20-I84 HydrophobicContact CD2-CD1 3.79Å; L24-I84 HydrophobicContact CD1-CG1 4.28Å; L24-I84 HydrophobicContact CD1-CG2 4.48Å; L24-I84 HydrophobicContact CD2-CG2 4.46Å; V82-I84 PolarHBondContact O-N 3.17Å; I84-V88 HydrophobicContact CG2-CB 3.74Å; I84-V88 HydrophobicContact CG2-CG1 4.09Å; I84-V88 HydrophobicContact CG2-CG2 4.15Å; I84-I90 HydrophobicContact CD1-CD1 4.24Å; I84-I90 HydrophobicContact CD1-CG1 4.36Å | ||
| 85 | P | 96.4 | Very high | 97.6 | Very high | 28 Ų | 28 | 73.2 Ų | 73.2 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | trans | -62.3 | 147.5 | 177.7 | -23.7 | 35.7 | 0 | 0 | 0 | 112.6 | R27 T29 D87 V88 | R27-P85 HydrophobicContact CB-CG 4.42Å; T29-P85 HydrophobicContact CG2-CG 3.8Å; P85-D87 VanDerWaalsContact CB-OD1 3.26Å; P85-D87 WeakPolarHBondContact CB-OD1 3.26Å; P85-D87 PolarHBondContact O-N 3.33Å; P85-V88 HydrophobicContact CB-CG2 3.96Å; P85-V88 HydrophobicContact CG-CG2 4.24Å; P85-V88 WeakPolarHBondContact O-CB 3.45Å; P85-V88 WeakPolarHBondContact O-CG2 3.35Å; P85-V88 PolarHBondContact O-N 2.92Å | ||
| 86 | D | 95.7 | Very high | 97.5 | Very high | 172 Ų | 172 | 75.3 Ų | 75.3 | 92% | 0.92 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25.1 | -172.2 | -60.1 | -35.1 | 0 | 0 | 0 | 113.6 | V88 | D86-V88 PolarHBondContact O-N 3.47Š|
| 87 | D | 95.9 | Very high | 97.4 | Very high | 113 Ų | 113 | 75.1 Ų | 75.1 | 60% | 0.604 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -6.6 | 176.9 | 69.1 | -63.2 | 0 | 0 | 0 | 113.2 | R27 P85 N89 | R27-D87 IonicContact CZ-OD2 3.47Å; R27-D87 IonicContact NE-OD2 2.8Å; R27-D87 PolarHBondContact NE-OD2 2.99Å; R27-D87 IonicContact NH2-OD2 3.57Å; R27-D87 PolarHBondContact NH2-OD2 3.46Å; P85-D87 VanDerWaalsContact CB-OD1 3.26Å; P85-D87 WeakPolarHBondContact CB-OD1 3.26Å; P85-D87 PolarHBondContact O-N 3.33Å; D87-N89 PolarHBondContact O-N 3.27Å |
| 88 | V | 96.6 | Very high | 97.3 | Very high | 14 Ų | 14 | 68.7 Ų | 68.7 | 9% | 0.085 | 35% | 0.348 | C | S | . | . | trans | -89.1 | 111.9 | -176.1 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | L24 R27 I84 P85 D86 I90 T93 | L24-V88 HydrophobicContact CD2-CB 4.42Å; L24-V88 HydrophobicContact CD2-CG1 3.81Å; L24-V88 HydrophobicContact CD2-CG2 3.94Å; R27-V88 VanDerWaalsContact NH1-CG2 3.27Å; I84-V88 HydrophobicContact CG2-CB 3.74Å; I84-V88 HydrophobicContact CG2-CG1 4.09Å; I84-V88 HydrophobicContact CG2-CG2 4.15Å; P85-V88 HydrophobicContact CB-CG2 3.96Å; P85-V88 HydrophobicContact CG-CG2 4.24Å; P85-V88 WeakPolarHBondContact O-CB 3.45Å; P85-V88 WeakPolarHBondContact O-CG2 3.35Å; P85-V88 PolarHBondContact O-N 2.92Å; D86-V88 PolarHBondContact O-N 3.47Å; V88-I90 PolarHBondContact O-N 3.43Å; V88-T93 VanDerWaalsContact CG1-OG1 3.27Å; V88-T93 WeakPolarHBondContact CG1-OG1 3.27Å | ||
| 89 | N | 97.9 | Very high | 97.2 | Very high | 98 Ų | 98 | 71.5 Ų | 71.5 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | trans | -77 | 108.8 | 161.3 | -180 | -43.9 | 0 | 0 | 0 | 109.8 | D87 T91 S92 T93 | D87-N89 PolarHBondContact O-N 3.27Å; N89-T91 PolarHBondContact O-N 3.28Å; N89-T91 PolarHBondContact OD1-N 3.26Å; N89-S92 VanDerWaalsContact CB-OG 3.29Å; N89-S92 WeakPolarHBondContact CB-OG 3.35Å; N89-S92 PolarHBondContact O-N 3.05Å; N89-S92 PolarHBondContact O-OG 2.84Å; N89-S92 PolarHBondContact OD1-N 3.09Å; N89-S92 PolarHBondContact OD1-OG 3.46Å; N89-T93 WeakPolarHBondContact O-CB 3.35Å; N89-T93 PolarHBondContact O-N 3.21Å; N89-T93 PolarHBondContact O-OG1 3.04Å | ||
| 90 | I | 97.7 | Very high | 96.9 | Very high | 80 Ų | 80 | 73.9 Ų | 73.9 | 41% | 0.41 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -53.7 | -55.4 | -175.4 | -61.3 | 173.9 | 0 | 0 | 0 | 111.5 | L20 I84 V88 S92 T93 I94 | L20-I90 HydrophobicContact CD1-CB 4.3Å; L20-I90 HydrophobicContact CD1-CG2 3.74Å; L20-I90 HydrophobicContact CD2-CG2 3.78Å; L20-I90 HydrophobicContact CG-CG2 4.41Å; I84-I90 HydrophobicContact CD1-CD1 4.24Å; I84-I90 HydrophobicContact CD1-CG1 4.36Å; V88-I90 PolarHBondContact O-N 3.43Å; I90-S92 PolarHBondContact O-N 3.19Å; I90-T93 PolarHBondContact O-N 2.61Å; I90-I94 HydrophobicContact CG2-CD1 4.01Å; I90-I94 WeakPolarHBondContact O-CG1 3.36Å; I90-I94 PolarHBondContact O-N 3.21Å |
| 91 | T | 98 | Very high | 96.7 | Very high | 86 Ų | 86 | 68.4 Ų | 68.4 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | -176 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | N89 T93 I94 E95 | N89-T91 PolarHBondContact O-N 3.28Å; N89-T91 PolarHBondContact OD1-N 3.26Å; T91-T93 VanDerWaalsContact C-N 3.27Å; T91-T93 PolarHBondContact O-N 3.43Å; T91-I94 PolarHBondContact O-N 3.12Å; T91-E95 WeakPolarHBondContact O-CG 3.32Å; T91-E95 PolarHBondContact O-N 3.31Å |
| 92 | S | 97.9 | Very high | 96.4 | Very high | 38 Ų | 38 | 67.7 Ų | 67.7 | 27% | 0.266 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 179.7 | 72 | 0 | 0 | 0 | 0 | 112.7 | N89 I90 E95 Q96 | N89-S92 VanDerWaalsContact CB-OG 3.29Å; N89-S92 WeakPolarHBondContact CB-OG 3.35Å; N89-S92 PolarHBondContact O-N 3.05Å; N89-S92 PolarHBondContact O-OG 2.84Å; N89-S92 PolarHBondContact OD1-N 3.09Å; N89-S92 PolarHBondContact OD1-OG 3.46Å; I90-S92 PolarHBondContact O-N 3.19Å; S92-E95 PolarHBondContact O-N 2.95Å; S92-Q96 WeakPolarHBondContact O-CB 3.41Å; S92-Q96 WeakPolarHBondContact O-CG 3.33Å; S92-Q96 PolarHBondContact O-N 3.26Å |
| 93 | T | 97.2 | Very high | 96 | Very high | 6 Ų | 6 | 75 Ų | 75 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 179 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | L20 V88 N89 I90 T91 Q96 Q97 | L20-T93 HydrophobicContact CD1-CG2 4.33Å; V88-T93 VanDerWaalsContact CG1-OG1 3.27Å; V88-T93 WeakPolarHBondContact CG1-OG1 3.27Å; N89-T93 WeakPolarHBondContact O-CB 3.35Å; N89-T93 PolarHBondContact O-N 3.21Å; N89-T93 PolarHBondContact O-OG1 3.04Å; I90-T93 PolarHBondContact O-N 2.61Å; T91-T93 VanDerWaalsContact C-N 3.27Å; T91-T93 PolarHBondContact O-N 3.43Å; T93-Q96 PolarHBondContact O-N 3.1Å; T93-Q97 WeakPolarHBondContact O-CG 3.42Å; T93-Q97 PolarHBondContact O-N 3.32Å; T93-Q97 VanDerWaalsContact O-N 3.11Å |
| 94 | I | 97.7 | Very high | 95.6 | Very high | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.185 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 175 | -67.9 | 169.6 | 0 | 0 | 0 | 110.3 | I19 L20 I90 T91 Q96 Q97 L98 | I19-I94 HydrophobicContact CG2-CG1 4.38Å; I19-I94 HydrophobicContact CG2-CG2 4.1Å; L20-I94 HydrophobicContact CB-CD1 4.21Å; L20-I94 HydrophobicContact CB-CG1 3.93Å; L20-I94 HydrophobicContact CD1-CD1 4.26Å; L20-I94 HydrophobicContact CD1-CG1 3.91Å; L20-I94 HydrophobicContact CG-CG1 4.46Å; I90-I94 HydrophobicContact CG2-CD1 4.01Å; I90-I94 WeakPolarHBondContact O-CG1 3.36Å; I90-I94 PolarHBondContact O-N 3.21Å; T91-I94 PolarHBondContact O-N 3.12Å; I94-Q96 VanDerWaalsContact C-N 3.32Å; I94-Q96 PolarHBondContact O-N 2.92Å; I94-Q97 PolarHBondContact O-N 3.11Å; I94-Q97 VanDerWaalsContact O-N 3.16Å; I94-L98 HydrophobicContact CG2-CD1 3.86Å; I94-L98 HydrophobicContact CG2-CG 4.3Å; I94-L98 WeakPolarHBondContact O-CG 3.45Å; I94-L98 PolarHBondContact O-N 3.02Å |
| 95 | E | 97.7 | Very high | 95.1 | Very high | 106 Ų | 106 | 77 Ų | 77 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 179.1 | -73.3 | 174.2 | 176.4 | 0 | 0 | 112 | T91 S92 Q97 L98 Q99 | T91-E95 WeakPolarHBondContact O-CG 3.32Å; T91-E95 PolarHBondContact O-N 3.31Å; S92-E95 PolarHBondContact O-N 2.95Å; E95-Q97 PolarHBondContact O-N 3.06Å; E95-L98 PolarHBondContact O-N 2.94Å; E95-Q99 VanDerWaalsContact O-CG 3.29Å; E95-Q99 WeakPolarHBondContact O-CG 3.49Å; E95-Q99 PolarHBondContact O-N 3.41Å |
| 96 | Q | 96.5 | Very high | 94.6 | Very high | 102 Ų | 102 | 80.3 Ų | 80.3 | 48% | 0.477 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 175.5 | -75.2 | 169.4 | 4.2 | 0 | 0 | 111.7 | S92 T93 I94 Q99 I100 | S92-Q96 WeakPolarHBondContact O-CB 3.41Å; S92-Q96 WeakPolarHBondContact O-CG 3.33Å; S92-Q96 PolarHBondContact O-N 3.26Å; T93-Q96 PolarHBondContact O-N 3.1Å; I94-Q96 VanDerWaalsContact C-N 3.32Å; I94-Q96 PolarHBondContact O-N 2.92Å; Q96-Q99 PolarHBondContact O-N 2.89Å; Q96-I100 VanDerWaalsContact O-CG1 3.31Å; Q96-I100 WeakPolarHBondContact O-CG1 3.43Å; Q96-I100 PolarHBondContact O-N 3.15Å; Q96-I100 VanDerWaalsContact O-N 3.15Å |
| 97 | Q | 95.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 79.9 Ų | 79.9 | 2% | 0.019 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 178.2 | -67.8 | -47.9 | -58.4 | 0 | 0 | 112.4 | M1 I19 T93 I94 E95 Q99 I100 I101 | M1-Q97 PolarHBondContact SD-NE2 3.42Å; I19-Q97 HydrophobicContact CD1-CB 3.69Å; I19-Q97 HydrophobicContact CG1-CB 3.37Å; I19-Q97 HydrophobicContact CG1-CG 4.06Å; T93-Q97 WeakPolarHBondContact O-CG 3.42Å; T93-Q97 PolarHBondContact O-N 3.32Å; T93-Q97 VanDerWaalsContact O-N 3.11Å; I94-Q97 PolarHBondContact O-N 3.11Å; I94-Q97 VanDerWaalsContact O-N 3.16Å; E95-Q97 PolarHBondContact O-N 3.06Å; Q97-Q99 VanDerWaalsContact C-N 3.31Å; Q97-Q99 PolarHBondContact O-N 3.19Å; Q97-I100 PolarHBondContact O-N 3Å; Q97-I101 PolarHBondContact O-N 3.47Å |
| 98 | L | 95.9 | Very high | 92.5 | Very high | 62 Ų | 62 | 77.8 Ų | 77.8 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.4 | -71 | 173.5 | 0 | 0 | 0 | 111.7 | E14 I19 I94 E95 I100 I101 H102 | E14-L98 HydrophobicContact CB-CD2 4.44Å; E14-L98 HydrophobicContact CG-CD2 3.75Å; I19-L98 HydrophobicContact CD1-CD2 3.48Å; I19-L98 VanDerWaalsContact CD1-CD2 3.48Å; I19-L98 HydrophobicContact CD1-CG 3.78Å; I94-L98 HydrophobicContact CG2-CD1 3.86Å; I94-L98 HydrophobicContact CG2-CG 4.3Å; I94-L98 WeakPolarHBondContact O-CG 3.45Å; I94-L98 PolarHBondContact O-N 3.02Å; E95-L98 PolarHBondContact O-N 2.94Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-I100 PolarHBondContact O-N 3.46Å; L98-I101 PolarHBondContact O-N 3.16Å; L98-H102 WeakPolarHBondContact O-CB 3.43Å; L98-H102 PolarHBondContact O-N 3.47Å |
| 99 | Q | 95.4 | Very high | 91.2 | Very high | 132 Ų | 132 | 78.7 Ų | 78.7 | 62% | 0.617 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | 175.4 | -74.5 | 175 | 0.4 | 0 | 0 | 112.2 | E95 Q96 Q97 H102 R103 | E95-Q99 VanDerWaalsContact O-CG 3.29Å; E95-Q99 WeakPolarHBondContact O-CG 3.49Å; E95-Q99 PolarHBondContact O-N 3.41Å; Q96-Q99 PolarHBondContact O-N 2.89Å; Q97-Q99 VanDerWaalsContact C-N 3.31Å; Q97-Q99 PolarHBondContact O-N 3.19Å; Q99-H102 PolarHBondContact O-N 2.96Å; Q99-R103 WeakPolarHBondContact O-CB 3.39Å; Q99-R103 PolarHBondContact O-N 3.39Å |
| 100 | I | 93.3 | Very high | 90 | Very high | 61 Ų | 61 | 84.6 Ų | 84.6 | 31% | 0.313 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.4 | -58.2 | 165.5 | 0 | 0 | 0 | 109.7 | L3 Q96 Q97 L98 H102 R103 V104 | L3-I100 HydrophobicContact CD1-CB 4.18Å; L3-I100 HydrophobicContact CD1-CG2 3.4Å; L3-I100 HydrophobicContact CG-CG2 3.99Å; Q96-I100 VanDerWaalsContact O-CG1 3.31Å; Q96-I100 WeakPolarHBondContact O-CG1 3.43Å; Q96-I100 PolarHBondContact O-N 3.15Å; Q96-I100 VanDerWaalsContact O-N 3.15Å; Q97-I100 PolarHBondContact O-N 3Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-I100 PolarHBondContact O-N 3.46Å; I100-H102 VanDerWaalsContact C-N 3.34Å; I100-H102 PolarHBondContact O-N 3.35Å; I100-R103 PolarHBondContact O-N 2.93Å; I100-V104 WeakPolarHBondContact O-CG2 3.39Å; I100-V104 PolarHBondContact O-N 3.48Å |
| 101 | I | 92.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.005 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 177.6 | -66.7 | 174.3 | 0 | 0 | 0 | 110.9 | L3 E14 I19 Q97 L98 R103 V104 R105 | L3-I101 HydrophobicContact CD1-CG1 3.93Å; L3-I101 HydrophobicContact CD2-CD1 4.43Å; L3-I101 HydrophobicContact CD2-CG1 3.84Å; E14-I101 HydrophobicContact CB-CD1 4.23Å; I19-I101 HydrophobicContact CD1-CD1 3.73Å; Q97-I101 PolarHBondContact O-N 3.47Å; L98-I101 PolarHBondContact O-N 3.16Å; I101-R103 PolarHBondContact O-N 3.11Å; I101-V104 PolarHBondContact O-N 2.8Å; I101-R105 WeakPolarHBondContact O-CB 3.18Å; I101-R105 PolarHBondContact O-N 2.94Å |
| 102 | H | 92.3 | Very high | 87.2 | Confident | 110 Ų | 110 | 87 Ų | 87 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 177.4 | -175.4 | 84.7 | 0 | 0 | 0 | 111.9 | L98 Q99 I100 V104 R105 N106 | L98-H102 WeakPolarHBondContact O-CB 3.43Å; L98-H102 PolarHBondContact O-N 3.47Å; Q99-H102 PolarHBondContact O-N 2.96Å; I100-H102 VanDerWaalsContact C-N 3.34Å; I100-H102 PolarHBondContact O-N 3.35Å; H102-V104 PolarHBondContact O-N 3.32Å; H102-R105 PolarHBondContact O-N 3.47Å; H102-N106 PolarHBondContact CE1-ND2 2.81Å; H102-N106 PolarHBondContact NE2-ND2 3.2Å; H102-N106 WeakPolarHBondContact O-CB 3.47Å; H102-N106 PolarHBondContact O-N 3.31Å |
| 103 | R | 90.3 | Very high | 86.1 | Confident | 182 Ų | 182 | 87.8 Ų | 87.8 | 69% | 0.687 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.4 | -42.9 | 176.9 | -175.6 | 179.1 | 178.6 | -175.4 | 0.5 | 111.9 | Q99 I100 I101 N106 F107 | Q99-R103 WeakPolarHBondContact O-CB 3.39Å; Q99-R103 PolarHBondContact O-N 3.39Å; I100-R103 PolarHBondContact O-N 2.93Å; I101-R103 PolarHBondContact O-N 3.11Å; R103-N106 CarbonylContact O-C 3.54Å; R103-F107 WeakPolarHBondContact O-CA 3.29Å; R103-F107 WeakPolarHBondContact O-CB 3.43Å; R103-F107 PolarHBondContact O-N 3.03Å |
| 104 | V | 88.7 | Confident | 85 | Confident | 67 Ų | 67 | 98.8 Ų | 98.8 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.1 | -37.3 | 179.2 | 177 | 0 | 0 | 0 | 0 | 111.4 | L3 R10 I100 I101 H102 N106 F107 | L3-V104 HydrophobicContact CD1-CB 4.49Å; L3-V104 HydrophobicContact CD1-CG2 3.92Å; R10-V104 VanDerWaalsContact NH1-CG1 3.3Å; I100-V104 WeakPolarHBondContact O-CG2 3.39Å; I100-V104 PolarHBondContact O-N 3.48Å; I101-V104 PolarHBondContact O-N 2.8Å; H102-V104 PolarHBondContact O-N 3.32Å; V104-N106 VanDerWaalsContact C-N 3.35Å; V104-F107 WeakPolarHBondContact O-CB 3.29Å; V104-F107 PolarHBondContact O-N 2.85Å |
| 105 | R | 87.4 | Confident | 83.3 | Confident | 120 Ų | 120 | 106.1 Ų | 106.1 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.3 | -178.8 | 179.1 | -63.2 | 142 | 11.7 | 112.1 | E14 I101 H102 F107 | E14-R105 VanDerWaalsContact CD-NH2 3.28Å; E14-R105 IonicContact OE1-CZ 3.29Å; E14-R105 IonicContact OE1-NH1 2.8Å; E14-R105 PolarHBondContact OE1-NH1 2.96Å; E14-R105 IonicContact OE1-NH2 3.97Å; E14-R105 PolarHBondContact OE1-NH2 3.24Å; E14-R105 IonicContact OE2-CZ 2.84Å; E14-R105 IonicContact OE2-NH1 2.89Å; E14-R105 IonicContact OE2-NH2 3.58Å; E14-R105 PolarHBondContact OE2-NH2 3.06Å; I101-R105 WeakPolarHBondContact O-CB 3.18Å; I101-R105 PolarHBondContact O-N 2.94Å; H102-R105 PolarHBondContact O-N 3.47Å; R105-F107 VanDerWaalsContact C-N 3.32Å |
| 106 | N | 86.3 | Confident | 81.9 | Confident | 96 Ų | 96 | 108.7 Ų | 108.7 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 14.5 | -177.9 | -60.7 | -22.7 | 0 | 0 | 0 | 112.3 | H102 R103 V104 G108 | H102-N106 PolarHBondContact CE1-ND2 2.81Å; H102-N106 PolarHBondContact NE2-ND2 3.2Å; H102-N106 WeakPolarHBondContact O-CB 3.47Å; H102-N106 PolarHBondContact O-N 3.31Å; R103-N106 CarbonylContact O-C 3.54Å; V104-N106 VanDerWaalsContact C-N 3.35Å; N106-G108 PolarHBondContact O-N 3.38Å |
| 107 | F | 80.2 | Confident | 80.6 | Confident | 163 Ų | 163 | 111.5 Ų | 111.5 | 72% | 0.715 | 55% | 0.546 | S | S | * | . | trans | -72.5 | 111.7 | -177.7 | -170.7 | -98.2 | 0 | 0 | 0 | 110.2 | R103 V104 R105 | R103-F107 WeakPolarHBondContact O-CA 3.29Å; R103-F107 WeakPolarHBondContact O-CB 3.43Å; R103-F107 PolarHBondContact O-N 3.03Å; V104-F107 WeakPolarHBondContact O-CB 3.29Å; V104-F107 PolarHBondContact O-N 2.85Å; R105-F107 VanDerWaalsContact C-N 3.32Å | ||
| 108 | G | 67.1 | Low | 79.1 | Confident | 69 Ų | 69 | 117.1 Ų | 117.1 | 71% | 0.711 | 58% | 0.583 | S | S | * | * | trans | 111.9 | 120.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N106 | N106-G108 PolarHBondContact O-N 3.38Š| ||
| 109 | G | 69.6 | Low | 77.6 | Confident | 34 Ų | 34 | 118.3 Ų | 118.3 | 35% | 0.351 | 60% | 0.597 | S | S | . | * | trans | -117.3 | 147.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | G111 Q112 | G109-G111 PolarHBondContact O-N 3.44Å; G109-Q112 PolarHBondContact O-N 3.26Å; G109-Q112 VanDerWaalsContact O-N 3.11Å | ||
| 110 | K | 71.6 | Confident | 76.1 | Confident | 222 Ų | 222 | 120 Ų | 120 | 97% | 0.965 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 117.5 | 177.5 | -170 | 178.5 | -179.9 | -178.8 | 0 | 109.3 | ||
| 111 | G | 66.9 | Low | 74.6 | Confident | 44 Ų | 44 | 124 Ų | 124 | 45% | 0.454 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85.8 | 4.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | G109 | G109-G111 PolarHBondContact O-N 3.44Š|
| 112 | Q | 71.3 | Confident | 72.8 | Confident | 173 Ų | 173 | 133.3 Ų | 133.3 | 81% | 0.808 | 66% | 0.66 | S | S | * | * | trans | -95.2 | -8.3 | 179 | -65.7 | -166.3 | -16 | 0 | 0 | 114.6 | G109 | G109-Q112 PolarHBondContact O-N 3.26Å; G109-Q112 VanDerWaalsContact O-N 3.11Å | ||
| 113 | G | 74.4 | Confident | 71.1 | Confident | 53 Ų | 53 | 141.3 Ų | 141.3 | 55% | 0.546 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -82.8 | 161.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W115 | G113-W115 PolarHBondContact O-N 3.41Š|
| 114 | R | 74.4 | Confident | 70.1 | Confident | 238 Ų | 238 | 139.3 Ų | 139.3 | 90% | 0.898 | 69% | 0.694 | S | S | * | * | trans | -66.5 | 123.5 | 172.3 | -168.2 | 178.5 | -179.3 | -171.3 | -0 | 108.9 | E116 | R114-E116 PolarHBondContact O-N 3.48Å; R114-E116 VanDerWaalsContact O-N 3.17Å | ||
| 115 | W | 61.2 | Low | 69.1 | Low | 189 Ų | 189 | 143.1 Ų | 143.1 | 72% | 0.716 | 71% | 0.709 | S | S | * | * | trans | -73 | 104.8 | 172.7 | -63 | 84.7 | 0 | 0 | 0 | 108.4 | G113 F117 | G113-W115 PolarHBondContact O-N 3.41Å; W115-F117 PolarHBondContact O-N 3.34Å | ||
| 116 | E | 68.1 | Low | 68.1 | Low | 161 Ų | 161 | 144.3 Ų | 144.3 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -72.1 | -19.9 | 177.2 | -66.1 | -175.5 | 169.4 | 0 | 0 | 112.1 | R114 | R114-E116 PolarHBondContact O-N 3.48Å; R114-E116 VanDerWaalsContact O-N 3.17Å |
| 117 | F | 69.6 | Low | 67 | Low | 161 Ų | 161 | 147.2 Ų | 147.2 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -125.4 | 131.9 | 178.4 | -56.8 | -77 | 0 | 0 | 0 | 110.7 | W115 S119 | W115-F117 PolarHBondContact O-N 3.34Å; F117-S119 PolarHBondContact O-N 3Å |
| 118 | P | 63.7 | Low | 66.2 | Low | 122 Ų | 122 | 146.2 Ų | 146.2 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | -62.2 | 130.3 | 168.9 | 4.5 | 1.7 | 0 | 0 | 0 | 109.1 | K120 | P118-K120 PolarHBondContact O-N 3.03Å; P118-K120 VanDerWaalsContact O-N 3.11Å | ||
| 119 | S | 64 | Low | 66.2 | Low | 87 Ų | 87 | 151.3 Ų | 151.3 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | trans | -61.3 | 115.9 | 169.3 | 53.5 | 0 | 0 | 0 | 0 | 108.4 | F117 N121 | F117-S119 PolarHBondContact O-N 3Å; S119-N121 PolarHBondContact O-N 3.26Å | ||
| 120 | K | 64.8 | Low | 65.9 | Low | 168 Ų | 168 | 159.7 Ų | 159.7 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | -60.8 | 103.2 | 170 | -100.9 | -177.8 | 173.7 | -178.5 | 0 | 108.1 | P118 Y122 | P118-K120 PolarHBondContact O-N 3.03Å; P118-K120 VanDerWaalsContact O-N 3.11Å; K120-Y122 HydrophobicContact CB-CD2 4.22Å; K120-Y122 HydrophobicContact CB-CE2 3.97Å; K120-Y122 HydrophobicContact CD-CE2 4.01Å; K120-Y122 PolarHBondContact O-N 3.04Å | ||
| 121 | N | 61.9 | Low | 65.5 | Low | 144 Ų | 144 | 154.9 Ų | 154.9 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -70 | 98.8 | 166 | -71.7 | -17 | 0 | 0 | 0 | 107.2 | S119 | S119-N121 PolarHBondContact O-N 3.26Š| ||
| 122 | Y | 54 | Low | 65.4 | Low | 197 Ų | 197 | 164.2 Ų | 164.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -74.1 | 121.1 | 162.1 | -77.2 | -85.2 | 0 | 0 | 0 | 107.3 | K120 | K120-Y122 HydrophobicContact CB-CD2 4.22Å; K120-Y122 HydrophobicContact CB-CE2 3.97Å; K120-Y122 HydrophobicContact CD-CE2 4.01Å; K120-Y122 PolarHBondContact O-N 3.04Å | ||
| 123 | K | 57.1 | Low | 64.8 | Low | 277 Ų | 277 | 163.4 Ų | 163.4 | 100% | 1.204 | 77% | 0.772 | S | S | * | * | trans | -76.9 | 0 | 167.9 | -77.2 | -174.1 | 176 | -177.8 | 0 | 109.9 |
Retrieved 123 of 123 residues in 189.6 ms
(Link to these results)