| 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 | V | 91.9 | Very high | 93.3 | Very high | 104 Ų | 104 | 35.1 Ų | 35.1 | 63% | 0.63 | 24% | 0.239 | S | C | * | . | 0 | 150.6 | 0 | -64.9 | 0 | 0 | 0 | 0 | 108.7 | L36 E41 R42 | V1-L36 HydrophobicContact CB-CD1 4.18Å; V1-L36 HydrophobicContact CG1-CD1 3.55Å; V1-E41 HydrophobicContact CB-CB 4.34Å; V1-E41 WeakPolarHBondContact CG2-OE2 3.48Å; V1-R42 CarbonylContact C-O 3.55Å; V1-R42 VanDerWaalsContact CA-O 3.32Å; V1-R42 WeakPolarHBondContact CA-O 3.45Å | |||
| 2 | I | 93.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 136.5 | -177.7 | -53.6 | 179.1 | 0 | 0 | 0 | 109.8 | Q6 L10 E41 R42 V44 I60 I64 | I2-Q6 HydrophobicContact CG2-CB 4.01Å; I2-L10 HydrophobicContact CD1-CD1 4.37Å; I2-L10 HydrophobicContact CD1-CD2 4.13Å; I2-E41 CarbonylContact O-C 3.39Å; I2-E41 WeakPolarHBondContact O-CA 3.5Å; I2-R42 PolarHBondContact N-O 3Å; I2-R42 PolarHBondContact O-N 3.22Å; I2-V44 HydrophobicContact CB-CG2 4.46Å; I2-V44 HydrophobicContact CD1-CB 4.41Å; I2-V44 HydrophobicContact CD1-CG2 3.69Å; I2-V44 HydrophobicContact CG1-CG2 3.96Å; I2-I60 HydrophobicContact CD1-CG2 3.69Å; I2-I64 HydrophobicContact CD1-CD1 3.97Å; I2-I64 HydrophobicContact CG1-CD1 4.09Å; I2-I64 HydrophobicContact CG2-CD1 4.12Å; I2-I64 HydrophobicContact CG2-CG1 4.26Å |
| 3 | P | 93.6 | Very high | 93.5 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 140.1 | 172.6 | -26.5 | 34.6 | 0 | 0 | 0 | 113.3 | S5 Q6 C7 E41 T73 | P3-S5 PolarHBondContact O-N 3.12Å; P3-Q6 HydrophobicContact CB-CG 4.47Å; P3-Q6 PolarHBondContact O-N 3Å; P3-C7 PolarHBondContact O-N 3.46Å; P3-E41 HydrophobicContact CG-CG 4.49Å; P3-T73 HydrophobicContact CB-CG2 4.01Å; P3-T73 HydrophobicContact CG-CG2 4.19Å |
| 4 | A | 92.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 51.4 Ų | 51.4 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.3 | -36.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q6 C7 L35 T40 | A4-Q6 VanDerWaalsContact C-N 3.27Å; A4-Q6 PolarHBondContact O-N 2.95Å; A4-C7 PolarHBondContact O-N 3.27Å; A4-C7 PolarHBondContact O-SG 3.23Å; A4-L35 HydrophobicContact CB-CD2 3.69Å; A4-T40 WeakPolarHBondContact CB-O 3.3Å; A4-T40 PolarHBondContact N-O 3.29Å |
| 5 | S | 92.2 | Very high | 93.7 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.1 | -34.9 | 177.1 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | P3 | P3-S5 PolarHBondContact O-N 3.12Å |
| 6 | Q | 93.4 | Very high | 93.9 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.065 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -86.3 | -26.3 | 179.7 | -64.2 | -172.7 | -57.6 | 0 | 0 | 112 | I2 P3 A4 G8 S9 L10 I64 S67 P69 | I2-Q6 HydrophobicContact CG2-CB 4.01Å; P3-Q6 HydrophobicContact CB-CG 4.47Å; P3-Q6 PolarHBondContact O-N 3Å; A4-Q6 VanDerWaalsContact C-N 3.27Å; A4-Q6 PolarHBondContact O-N 2.95Å; Q6-G8 PolarHBondContact O-N 3.25Å; Q6-S9 PolarHBondContact O-N 3.39Å; Q6-S9 VanDerWaalsContact O-N 3.16Å; Q6-L10 PolarHBondContact O-N 3Å; Q6-I64 PolarHBondContact NE2-O 3.43Å; Q6-S67 WeakPolarHBondContact CG-O 3.48Å; Q6-S67 PolarHBondContact NE2-O 3.21Å; Q6-P69 HydrophobicContact CG-CB 4.11Å |
| 7 | C | 93.2 | Very high | 94 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -31.4 | 176.7 | 100.9 | 0 | 0 | 0 | 0 | 111.9 | P3 A4 L10 I11 R42 | P3-C7 PolarHBondContact O-N 3.46Å; A4-C7 PolarHBondContact O-N 3.27Å; A4-C7 PolarHBondContact O-SG 3.23Å; C7-L10 WeakPolarHBondContact O-CB 3.42Å; C7-L10 PolarHBondContact O-N 3.48Å; C7-I11 WeakPolarHBondContact O-CB 3.36Å; C7-I11 WeakPolarHBondContact O-CD1 3.42Å; C7-I11 WeakPolarHBondContact O-CG1 3.26Å; C7-I11 PolarHBondContact O-N 3.37Å; C7-R42 WeakPolarHBondContact SG-CD 3.34Å |
| 8 | G | 93.3 | Very high | 94.1 | Very high | 44 Ų | 44 | 50.8 Ų | 50.8 | 45% | 0.454 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q6 I11 G12 | Q6-G8 PolarHBondContact O-N 3.25Å; G8-I11 PolarHBondContact O-N 3.42Å; G8-G12 PolarHBondContact O-N 2.88Å |
| 9 | S | 93.6 | Very high | 94.2 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 174.5 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | Q6 S67 | Q6-S9 PolarHBondContact O-N 3.39Å; Q6-S9 VanDerWaalsContact O-N 3.16Å; S9-S67 PolarHBondContact OG-OG 2.88Å |
| 10 | L | 95.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 176.2 | -169.3 | 95.9 | 0 | 0 | 0 | 112.9 | I2 Q6 C7 K17 I18 V31 I60 V63 | I2-L10 HydrophobicContact CD1-CD1 4.37Å; I2-L10 HydrophobicContact CD1-CD2 4.13Å; Q6-L10 PolarHBondContact O-N 3Å; C7-L10 WeakPolarHBondContact O-CB 3.42Å; C7-L10 PolarHBondContact O-N 3.48Å; L10-K17 WeakPolarHBondContact O-CB 3.29Å; L10-I18 HydrophobicContact CD2-CD1 4.42Å; L10-I18 PolarHBondContact O-N 3.3Å; L10-V31 HydrophobicContact CD2-CG2 4.2Å; L10-I60 HydrophobicContact CD1-CB 4.16Å; L10-I60 HydrophobicContact CD1-CG1 4.08Å; L10-I60 HydrophobicContact CD1-CG2 3.81Å; L10-V63 HydrophobicContact CB-CG1 4.45Å; L10-V63 HydrophobicContact CD1-CB 4.31Å; L10-V63 HydrophobicContact CD1-CG1 4.34Å |
| 11 | I | 95.1 | Very high | 94.4 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 28% | 0.282 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72 | -41.5 | -179.6 | -65 | 160.5 | 0 | 0 | 0 | 109.7 | C7 G8 G15 K17 I18 | C7-I11 WeakPolarHBondContact O-CB 3.36Å; C7-I11 WeakPolarHBondContact O-CD1 3.42Å; C7-I11 WeakPolarHBondContact O-CG1 3.26Å; C7-I11 PolarHBondContact O-N 3.37Å; G8-I11 PolarHBondContact O-N 3.42Å; I11-G15 CarbonylContact O-C 3.54Å; I11-G15 VanDerWaalsContact O-CA 3.24Å; I11-G15 WeakPolarHBondContact O-CA 3.27Å; I11-K17 PolarHBondContact O-N 3.43Å; I11-K17 VanDerWaalsContact O-N 3.13Å; I11-I18 HydrophobicContact CB-CG2 4.46Å; I11-I18 HydrophobicContact CG2-CG2 4.17Å; I11-I18 PolarHBondContact O-N 3.5Å |
| 12 | G | 94.3 | Very high | 94.6 | Very high | 24 Ų | 24 | 53.1 Ų | 53.1 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | trans | 73.7 | 171.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | G8 A14 G15 | G8-G12 PolarHBondContact O-N 2.88Å; G12-A14 PolarHBondContact O-N 3.11Å; G12-G15 PolarHBondContact O-N 3.36Å; G12-G15 VanDerWaalsContact O-N 3.13Å | ||
| 13 | K | 95.1 | Very high | 94.8 | Very high | 198 Ų | 198 | 59.2 Ų | 59.2 | 86% | 0.861 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -58.8 | 130.7 | 176.9 | -67.6 | 179.6 | -179.7 | 175.5 | 0 | 109.6 | G15 T16 | K13-G15 PolarHBondContact O-N 3.39Å; K13-T16 WeakPolarHBondContact O-CB 3.43Å; K13-T16 PolarHBondContact O-N 3.15Å; K13-T16 VanDerWaalsContact O-N 3.1Å; K13-T16 PolarHBondContact O-OG1 3.47Å |
| 14 | A | 94.9 | Very high | 94.9 | Very high | 111 Ų | 111 | 63.4 Ų | 63.4 | 92% | 0.917 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | 54.4 | 19.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G12 T16 | G12-A14 PolarHBondContact O-N 3.11Å; A14-T16 VanDerWaalsContact C-N 3.27Å; A14-T16 PolarHBondContact O-N 3.03Å |
| 15 | G | 94.9 | Very high | 95.1 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | 75.2 | 11.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I11 G12 K13 K17 I18 K19 | I11-G15 CarbonylContact O-C 3.54Å; I11-G15 VanDerWaalsContact O-CA 3.24Å; I11-G15 WeakPolarHBondContact O-CA 3.27Å; G12-G15 PolarHBondContact O-N 3.36Å; G12-G15 VanDerWaalsContact O-N 3.13Å; K13-G15 PolarHBondContact O-N 3.39Å; G15-K17 VanDerWaalsContact C-N 3.32Å; G15-K17 PolarHBondContact O-N 2.88Å; G15-I18 WeakPolarHBondContact O-CG2 3.15Å; G15-K19 VanDerWaalsContact O-CB 3.28Å; G15-K19 WeakPolarHBondContact O-CB 3.5Å; G15-K19 PolarHBondContact O-N 2.87Å |
| 16 | T | 96.6 | Very high | 95.3 | Very high | 93 Ų | 93 | 62.9 Ų | 62.9 | 57% | 0.571 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.3 | -39.6 | -176 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | K13 A14 K19 E20 | K13-T16 WeakPolarHBondContact O-CB 3.43Å; K13-T16 PolarHBondContact O-N 3.15Å; K13-T16 VanDerWaalsContact O-N 3.1Å; K13-T16 PolarHBondContact O-OG1 3.47Å; A14-T16 VanDerWaalsContact C-N 3.27Å; A14-T16 PolarHBondContact O-N 3.03Å; T16-K19 PolarHBondContact O-N 3.49Å; T16-E20 WeakPolarHBondContact O-CB 3.42Å; T16-E20 PolarHBondContact O-N 2.99Å |
| 17 | K | 95.6 | Very high | 95.5 | Very high | 71 Ų | 71 | 62.3 Ų | 62.3 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.5 | -45.5 | -174.2 | -168 | 69.1 | -173.9 | 164.3 | 0 | 111.9 | L10 I11 G15 K19 E20 I21 | L10-K17 WeakPolarHBondContact O-CB 3.29Å; I11-K17 PolarHBondContact O-N 3.43Å; I11-K17 VanDerWaalsContact O-N 3.13Å; G15-K17 VanDerWaalsContact C-N 3.32Å; G15-K17 PolarHBondContact O-N 2.88Å; K17-K19 VanDerWaalsContact C-N 3.3Å; K17-K19 PolarHBondContact O-N 3.47Å; K17-E20 WeakPolarHBondContact CD-OE2 3.49Å; K17-E20 IonicContact NZ-OE1 4Å; K17-E20 IonicContact NZ-OE2 2.85Å; K17-E20 PolarHBondContact NZ-OE2 2.93Å; K17-E20 WeakPolarHBondContact O-CB 3.36Å; K17-E20 PolarHBondContact O-N 3.4Å; K17-I21 HydrophobicContact CG-CD1 4.42Å; K17-I21 VanDerWaalsContact O-CG1 3.31Å; K17-I21 WeakPolarHBondContact O-CG1 3.42Å; K17-I21 PolarHBondContact O-N 2.98Å |
| 18 | I | 96.1 | Very high | 95.6 | Very high | 12 Ų | 12 | 67.9 Ų | 67.9 | 6% | 0.062 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.1 | -32.2 | 176 | -169.2 | 162.4 | 0 | 0 | 0 | 112 | L10 I11 G15 I21 R22 V29 V31 | L10-I18 HydrophobicContact CD2-CD1 4.42Å; L10-I18 PolarHBondContact O-N 3.3Å; I11-I18 HydrophobicContact CB-CG2 4.46Å; I11-I18 HydrophobicContact CG2-CG2 4.17Å; I11-I18 PolarHBondContact O-N 3.5Å; G15-I18 WeakPolarHBondContact O-CG2 3.15Å; I18-I21 PolarHBondContact O-N 3.5Å; I18-R22 VanDerWaalsContact O-CG 3.27Å; I18-R22 WeakPolarHBondContact O-CG 3.26Å; I18-R22 PolarHBondContact O-N 3.28Å; I18-V29 HydrophobicContact CD1-CG1 4.05Å; I18-V29 HydrophobicContact CG1-CG1 4.47Å; I18-V31 HydrophobicContact CD1-CG2 3.55Å |
| 19 | K | 96.4 | Very high | 95.8 | Very high | 121 Ų | 121 | 66 Ų | 66 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 173.1 | -175 | 179.2 | 172.6 | -174.7 | 0 | 111.3 | G15 T16 K17 I21 R22 E23 | G15-K19 VanDerWaalsContact O-CB 3.28Å; G15-K19 WeakPolarHBondContact O-CB 3.5Å; G15-K19 PolarHBondContact O-N 2.87Å; T16-K19 PolarHBondContact O-N 3.49Å; K17-K19 VanDerWaalsContact C-N 3.3Å; K17-K19 PolarHBondContact O-N 3.47Å; K19-I21 VanDerWaalsContact C-N 3.32Å; K19-I21 PolarHBondContact O-N 3.32Å; K19-R22 PolarHBondContact O-N 2.93Å; K19-E23 WeakPolarHBondContact CE-OE1 3.32Å; K19-E23 IonicContact NZ-OE1 3.89Å; K19-E23 WeakPolarHBondContact O-CG 3.04Å; K19-E23 PolarHBondContact O-N 3.05Å |
| 20 | E | 96.4 | Very high | 95.8 | Very high | 87 Ų | 87 | 70.4 Ų | 70.4 | 41% | 0.407 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.9 | -44.5 | 174.5 | -179.3 | -167.8 | -168.2 | 0 | 0 | 111.5 | T16 K17 R22 E23 T24 | T16-E20 WeakPolarHBondContact O-CB 3.42Å; T16-E20 PolarHBondContact O-N 2.99Å; K17-E20 WeakPolarHBondContact CD-OE2 3.49Å; K17-E20 IonicContact NZ-OE1 4Å; K17-E20 IonicContact NZ-OE2 2.85Å; K17-E20 PolarHBondContact NZ-OE2 2.93Å; K17-E20 WeakPolarHBondContact O-CB 3.36Å; K17-E20 PolarHBondContact O-N 3.4Å; E20-R22 PolarHBondContact O-N 3.04Å; E20-E23 PolarHBondContact O-N 3.44Å; E20-T24 VanDerWaalsContact O-CB 3.26Å; E20-T24 WeakPolarHBondContact O-CB 3.44Å; E20-T24 PolarHBondContact O-N 3.28Å; E20-T24 PolarHBondContact O-OG1 3.1Å |
| 21 | I | 95.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 178.1 | -67.9 | 165.2 | 0 | 0 | 0 | 110.7 | K17 I18 K19 T25 Q59 | K17-I21 HydrophobicContact CG-CD1 4.42Å; K17-I21 VanDerWaalsContact O-CG1 3.31Å; K17-I21 WeakPolarHBondContact O-CG1 3.42Å; K17-I21 PolarHBondContact O-N 2.98Å; I18-I21 PolarHBondContact O-N 3.5Å; K19-I21 VanDerWaalsContact C-N 3.32Å; K19-I21 PolarHBondContact O-N 3.32Å; I21-T25 HydrophobicContact CG2-CG2 4.35Å; I21-T25 VanDerWaalsContact O-CB 3.32Å; I21-T25 WeakPolarHBondContact O-CB 3.26Å; I21-T25 VanDerWaalsContact O-CG2 3.26Å; I21-T25 WeakPolarHBondContact O-CG2 3.31Å; I21-T25 PolarHBondContact O-N 3Å; I21-T25 PolarHBondContact O-OG1 3.27Å; I21-Q59 HydrophobicContact CG1-CB 4.32Å; I21-Q59 HydrophobicContact CG2-CB 4.37Å |
| 22 | R | 96.3 | Very high | 95.8 | Very high | 93 Ų | 93 | 71 Ų | 71 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 177.4 | -69.9 | 167.6 | -177.7 | 173.4 | 3.6 | 111.7 | I18 K19 E20 G26 V29 | I18-R22 VanDerWaalsContact O-CG 3.27Å; I18-R22 WeakPolarHBondContact O-CG 3.26Å; I18-R22 PolarHBondContact O-N 3.28Å; K19-R22 PolarHBondContact O-N 2.93Å; E20-R22 PolarHBondContact O-N 3.04Å; R22-G26 WeakPolarHBondContact O-CA 3.44Å; R22-G26 PolarHBondContact O-N 2.85Å; R22-V29 HydrophobicContact CG-CB 4.07Å; R22-V29 HydrophobicContact CG-CG2 4.07Å; R22-V29 PolarHBondContact NE-O 2.84Å; R22-V29 PolarHBondContact NH2-O 3.5Å |
| 23 | E | 96.3 | Very high | 95.6 | Very high | 136 Ų | 136 | 72.5 Ų | 72.5 | 64% | 0.636 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.8 | -42.1 | 180 | -73.2 | 174.9 | 177.1 | 0 | 0 | 112.2 | K19 E20 | K19-E23 WeakPolarHBondContact CE-OE1 3.32Å; K19-E23 IonicContact NZ-OE1 3.89Å; K19-E23 WeakPolarHBondContact O-CG 3.04Å; K19-E23 PolarHBondContact O-N 3.05Å; E20-E23 PolarHBondContact O-N 3.44Å |
| 24 | T | 96.5 | Very high | 95.5 | Very high | 103 Ų | 103 | 69.3 Ų | 69.3 | 63% | 0.632 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -71.9 | -37.7 | -177.7 | -55.1 | 0 | 0 | 0 | 0 | 112 | E20 | E20-T24 VanDerWaalsContact O-CB 3.26Å; E20-T24 WeakPolarHBondContact O-CB 3.44Å; E20-T24 PolarHBondContact O-N 3.28Å; E20-T24 PolarHBondContact O-OG1 3.1Å |
| 25 | T | 96.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 68.3 Ų | 68.3 | 8% | 0.08 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -94 | -21.1 | -174.6 | 64.7 | 0 | 0 | 0 | 0 | 112.8 | I21 A27 A52 L55 C56 | I21-T25 HydrophobicContact CG2-CG2 4.35Å; I21-T25 VanDerWaalsContact O-CB 3.32Å; I21-T25 WeakPolarHBondContact O-CB 3.26Å; I21-T25 VanDerWaalsContact O-CG2 3.26Å; I21-T25 WeakPolarHBondContact O-CG2 3.31Å; I21-T25 PolarHBondContact O-N 3Å; I21-T25 PolarHBondContact O-OG1 3.27Å; T25-A27 PolarHBondContact O-N 2.91Å; T25-A27 PolarHBondContact OG1-N 3.32Å; T25-A52 WeakPolarHBondContact O-CA 3.43Å; T25-A52 WeakPolarHBondContact O-CB 3.47Å; T25-L55 HydrophobicContact CG2-CB 4.02Å; T25-C56 HydrophobicContact CG2-CB 4.23Å |
| 26 | G | 95.5 | Very high | 95.2 | Very high | 60 Ų | 60 | 69 Ų | 69 | 62% | 0.619 | 38% | 0.378 | S | S | * | . | trans | 69.4 | 7.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R22 | R22-G26 WeakPolarHBondContact O-CA 3.44Å; R22-G26 PolarHBondContact O-N 2.85Å | ||
| 27 | A | 97.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 68.5 Ų | 68.5 | 2% | 0.017 | 38% | 0.377 | C | S | . | . | trans | -86.8 | 145.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T25 V29 V46 A52 C56 | T25-A27 PolarHBondContact O-N 2.91Å; T25-A27 PolarHBondContact OG1-N 3.32Å; A27-V29 HydrophobicContact CB-CG2 4.5Å; A27-V46 HydrophobicContact CB-CG1 4.12Å; A27-A52 HydrophobicContact CB-CB 4.08Å; A27-C56 HydrophobicContact CB-CB 3.8Å | ||
| 28 | Q | 96.4 | Very high | 94.6 | Very high | 128 Ų | 128 | 71.1 Ų | 71.1 | 60% | 0.598 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 121.1 | 168.1 | -71.7 | -71.8 | 30.8 | 0 | 0 | 109.6 | V46 S47 | Q28-V46 CarbonylContact O-C 3.55Å; Q28-V46 VanDerWaalsContact O-CA 3.32Å; Q28-V46 WeakPolarHBondContact O-CA 3.43Å; Q28-S47 WeakPolarHBondContact CB-OG 3.48Å; Q28-S47 PolarHBondContact N-O 2.76Å; Q28-S47 PolarHBondContact O-N 3.01Å |
| 29 | V | 96.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.03 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.6 | -176.9 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | I18 R22 A27 V44 T45 V46 C56 | I18-V29 HydrophobicContact CD1-CG1 4.05Å; I18-V29 HydrophobicContact CG1-CG1 4.47Å; R22-V29 HydrophobicContact CG-CB 4.07Å; R22-V29 HydrophobicContact CG-CG2 4.07Å; R22-V29 PolarHBondContact NE-O 2.84Å; R22-V29 PolarHBondContact NH2-O 3.5Å; A27-V29 HydrophobicContact CB-CG2 4.5Å; V29-V44 HydrophobicContact CG1-CG1 3.92Å; V29-T45 CarbonylContact C-O 3.59Å; V29-T45 WeakPolarHBondContact CA-O 3.5Å; V29-V46 HydrophobicContact CG1-CG2 4.36Å; V29-V46 HydrophobicContact CG2-CG1 4.41Å; V29-C56 WeakPolarHBondContact CG2-SG 3.41Å |
| 30 | Q | 95.3 | Very high | 94.1 | Very high | 142 Ų | 142 | 67.1 Ų | 67.1 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.1 | 177.3 | -164.1 | 152.5 | 32.3 | 0 | 0 | 110.5 | V44 T45 | Q30-V44 CarbonylContact O-C 3.2Å; Q30-V44 WeakPolarHBondContact O-CA 3.31Å; Q30-T45 PolarHBondContact N-O 3.42Å; Q30-T45 PolarHBondContact O-N 3.38Å |
| 31 | V | 94.8 | Very high | 94 | Very high | 31 Ų | 31 | 64.2 Ų | 64.2 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | L10 I18 V44 | L10-V31 HydrophobicContact CD2-CG2 4.2Å; I18-V31 HydrophobicContact CD1-CG2 3.55Å; V31-V44 HydrophobicContact CG1-CG2 4.24Å; V31-V44 HydrophobicContact CG2-CG1 4.29Å; V31-V44 HydrophobicContact CG2-CG2 4.1Å |
| 32 | A | 94.6 | Very high | 93.9 | Very high | 37 Ų | 37 | 66.6 Ų | 66.6 | 31% | 0.306 | 38% | 0.376 | S | S | . | . | trans | -65.4 | 138.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D34 R42 A43 | A32-D34 VanDerWaalsContact C-N 3.3Å; A32-R42 PolarHBondContact O-NH1 3.02Å; A32-A43 HydrophobicContact CB-CB 4.04Å; A32-A43 WeakPolarHBondContact CB-O 3.49Å; A32-A43 PolarHBondContact N-O 3.24Å | ||
| 33 | G | 90.5 | Very high | 93.8 | Very high | 56 Ų | 56 | 63.7 Ų | 63.7 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -72.6 | -23.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R42 | G33-R42 VanDerWaalsContact CA-NH1 3.34Å; G33-R42 VanDerWaalsContact O-CZ 3.3Å; G33-R42 PolarHBondContact O-NH1 2.63Å; G33-R42 PolarHBondContact O-NH2 3.38Å; G33-R42 VanDerWaalsContact O-NH2 3.14Å |
| 34 | D | 93.1 | Very high | 93.8 | Very high | 132 Ų | 132 | 58.8 Ų | 58.8 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -102 | 156.2 | -178.7 | -55.3 | -75.4 | 0 | 0 | 0 | 112 | A32 | A32-D34 VanDerWaalsContact C-N 3.3Š|
| 35 | L | 92.5 | Very high | 93.8 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 47% | 0.471 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 150.1 | 170.4 | -58 | 177 | 0 | 0 | 0 | 109.7 | A4 R42 | A4-L35 HydrophobicContact CB-CD2 3.69Å; L35-R42 HydrophobicContact CD2-CG 3.89Å |
| 36 | L | 90.7 | Very high | 93.8 | Very high | 34 Ų | 34 | 59.5 Ų | 59.5 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 147.5 | 170.9 | -69.3 | 171.6 | 0 | 0 | 0 | 110.4 | V1 N38 S39 E41 A43 Y76 | V1-L36 HydrophobicContact CB-CD1 4.18Å; V1-L36 HydrophobicContact CG1-CD1 3.55Å; L36-N38 PolarHBondContact O-N 3.46Å; L36-S39 PolarHBondContact O-N 3.31Å; L36-S39 VanDerWaalsContact O-N 3.11Å; L36-S39 VanDerWaalsContact O-O 3.14Å; L36-E41 HydrophobicContact CD1-CB 4.29Å; L36-E41 PolarHBondContact N-O 3.33Å; L36-A43 HydrophobicContact CD2-CB 4.29Å; L36-Y76 HydrophobicContact CB-CD2 3.63Å; L36-Y76 HydrophobicContact CB-CE2 4.09Å; L36-Y76 HydrophobicContact CB-CG 4.13Å; L36-Y76 HydrophobicContact CD1-CD1 4.11Å; L36-Y76 HydrophobicContact CD1-CD2 4.12Å; L36-Y76 HydrophobicContact CD1-CG 3.76Å; L36-Y76 HydrophobicContact CG-CD2 4.39Å |
| 37 | P | 89.1 | Confident | 93.8 | Very high | 82 Ų | 82 | 59.6 Ų | 59.6 | 53% | 0.532 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 136.9 | -177.8 | 23.9 | -30.8 | 0 | 0 | 0 | 110.4 | S39 Y76 | P37-S39 PolarHBondContact O-N 2.76Å; P37-S39 VanDerWaalsContact O-N 3.17Å; P37-Y76 HydrophobicContact CG-CE2 3.99Å |
| 38 | N | 89.1 | Confident | 93.7 | Very high | 125 Ų | 125 | 61.9 Ų | 61.9 | 67% | 0.668 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 25 | -177.2 | -49.7 | -30.8 | 0 | 0 | 0 | 114.2 | L36 I74 H77 | L36-N38 PolarHBondContact O-N 3.46Å; N38-I74 WeakPolarHBondContact O-CG2 3.39Å; N38-H77 PolarHBondContact O-CE1 3.11Å |
| 39 | S | 91.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -141.1 | 156.4 | -176.3 | 179 | 0 | 0 | 0 | 0 | 111.9 | L36 P37 E41 I74 Y76 | L36-S39 PolarHBondContact O-N 3.31Å; L36-S39 VanDerWaalsContact O-N 3.11Å; L36-S39 VanDerWaalsContact O-O 3.14Å; P37-S39 PolarHBondContact O-N 2.76Å; P37-S39 VanDerWaalsContact O-N 3.17Å; S39-E41 VanDerWaalsContact C-N 3.34Å; S39-E41 WeakPolarHBondContact OG-CB 3.42Å; S39-E41 WeakPolarHBondContact OG-CG 3.27Å; S39-E41 PolarHBondContact OG-N 3.16Å; S39-I74 WeakPolarHBondContact CA-O 3.38Å; S39-I74 PolarHBondContact OG-O 2.87Å; S39-Y76 WeakPolarHBondContact OG-CA 3.49Å; S39-Y76 PolarHBondContact OG-N 2.73Å |
| 40 | T | 91.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 65 Ų | 65 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -96 | 11.7 | 170.5 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | A4 T73 I74 | A4-T40 WeakPolarHBondContact CB-O 3.3Å; A4-T40 PolarHBondContact N-O 3.29Å; T40-T73 WeakPolarHBondContact OG1-CA 3.49Å; T40-I74 HydrophobicContact CG2-CB 4.07Å; T40-I74 HydrophobicContact CG2-CD1 4.22Å; T40-I74 HydrophobicContact CG2-CG1 4.11Å; T40-I74 PolarHBondContact N-O 2.66Å; T40-I74 PolarHBondContact OG1-N 3.04Å; T40-I74 PolarHBondContact OG1-O 2.79Å |
| 41 | E | 94.1 | Very high | 93.9 | Very high | 26 Ų | 26 | 63.3 Ų | 63.3 | 12% | 0.121 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 154.4 | -176.9 | -59.1 | -178.7 | 141.7 | 0 | 0 | 111.9 | V1 I2 P3 L36 S39 Y76 | V1-E41 HydrophobicContact CB-CB 4.34Å; V1-E41 WeakPolarHBondContact CG2-OE2 3.48Å; I2-E41 CarbonylContact O-C 3.39Å; I2-E41 WeakPolarHBondContact O-CA 3.5Å; P3-E41 HydrophobicContact CG-CG 4.49Å; L36-E41 HydrophobicContact CD1-CB 4.29Å; L36-E41 PolarHBondContact N-O 3.33Å; S39-E41 VanDerWaalsContact C-N 3.34Å; S39-E41 WeakPolarHBondContact OG-CB 3.42Å; S39-E41 WeakPolarHBondContact OG-CG 3.27Å; S39-E41 PolarHBondContact OG-N 3.16Å; E41-Y76 VanDerWaalsContact OE2-CB 3.3Å; E41-Y76 WeakPolarHBondContact OE2-CB 3.38Å; E41-Y76 PolarHBondContact OE2-N 3.24Å |
| 42 | R | 94.9 | Very high | 94 | Very high | 55 Ų | 55 | 62 Ų | 62 | 21% | 0.208 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 143.7 | 174.9 | -69 | 170 | 174.5 | -91.4 | -9.4 | 109.7 | V1 I2 C7 A32 G33 L35 | V1-R42 CarbonylContact C-O 3.55Å; V1-R42 VanDerWaalsContact CA-O 3.32Å; V1-R42 WeakPolarHBondContact CA-O 3.45Å; I2-R42 PolarHBondContact N-O 3Å; I2-R42 PolarHBondContact O-N 3.22Å; C7-R42 WeakPolarHBondContact SG-CD 3.34Å; A32-R42 PolarHBondContact O-NH1 3.02Å; G33-R42 VanDerWaalsContact CA-NH1 3.34Å; G33-R42 VanDerWaalsContact O-CZ 3.3Å; G33-R42 PolarHBondContact O-NH1 2.63Å; G33-R42 PolarHBondContact O-NH2 3.38Å; G33-R42 VanDerWaalsContact O-NH2 3.14Å; L35-R42 HydrophobicContact CD2-CG 3.89Å |
| 43 | A | 94.1 | Very high | 94.1 | Very high | 32 Ų | 32 | 62.9 Ų | 62.9 | 26% | 0.264 | 39% | 0.387 | S | S | . | . | trans | -71.8 | 135.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A32 L36 | A32-A43 HydrophobicContact CB-CB 4.04Å; A32-A43 WeakPolarHBondContact CB-O 3.49Å; A32-A43 PolarHBondContact N-O 3.24Å; L36-A43 HydrophobicContact CD2-CB 4.29Å | ||
| 44 | V | 95.4 | Very high | 94.4 | Very high | 32 Ų | 32 | 65.1 Ų | 65.1 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.7 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | I2 V29 Q30 V31 V46 | I2-V44 HydrophobicContact CB-CG2 4.46Å; I2-V44 HydrophobicContact CD1-CB 4.41Å; I2-V44 HydrophobicContact CD1-CG2 3.69Å; I2-V44 HydrophobicContact CG1-CG2 3.96Å; V29-V44 HydrophobicContact CG1-CG1 3.92Å; Q30-V44 CarbonylContact O-C 3.2Å; Q30-V44 WeakPolarHBondContact O-CA 3.31Å; V31-V44 HydrophobicContact CG1-CG2 4.24Å; V31-V44 HydrophobicContact CG2-CG1 4.29Å; V31-V44 HydrophobicContact CG2-CG2 4.1Å; V44-V46 HydrophobicContact CG1-CG2 4.32Å |
| 45 | T | 95.8 | Very high | 94.6 | Very high | 89 Ų | 89 | 61.8 Ų | 61.8 | 55% | 0.546 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.3 | 179.1 | -54.8 | 0 | 0 | 0 | 0 | 108.2 | V29 Q30 | V29-T45 CarbonylContact C-O 3.59Å; V29-T45 WeakPolarHBondContact CA-O 3.5Å; Q30-T45 PolarHBondContact N-O 3.42Å; Q30-T45 PolarHBondContact O-N 3.38Å |
| 46 | V | 96.5 | Very high | 94.8 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 26% | 0.255 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.8 | 175.7 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | A27 Q28 V29 V44 I53 C56 I60 | A27-V46 HydrophobicContact CB-CG1 4.12Å; Q28-V46 CarbonylContact O-C 3.55Å; Q28-V46 VanDerWaalsContact O-CA 3.32Å; Q28-V46 WeakPolarHBondContact O-CA 3.43Å; V29-V46 HydrophobicContact CG1-CG2 4.36Å; V29-V46 HydrophobicContact CG2-CG1 4.41Å; V44-V46 HydrophobicContact CG1-CG2 4.32Å; V46-I53 HydrophobicContact CG1-CG1 4.23Å; V46-I53 HydrophobicContact CG1-CG2 4.3Å; V46-C56 HydrophobicContact CG1-CB 4.19Å; V46-I60 HydrophobicContact CG2-CD1 4.17Å |
| 47 | S | 96.2 | Very high | 95.1 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 44% | 0.441 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 149.8 | 178.4 | 57 | 0 | 0 | 0 | 0 | 111 | Q28 | Q28-S47 WeakPolarHBondContact CB-OG 3.48Å; Q28-S47 PolarHBondContact N-O 2.76Å; Q28-S47 PolarHBondContact O-N 3.01Å |
| 48 | G | 96 | Very high | 95.5 | Very high | 50 Ų | 50 | 62.9 Ų | 62.9 | 52% | 0.515 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 150.5 | -165.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I53 | G48-I53 WeakPolarHBondContact O-CD1 3.32Š|
| 49 | V | 97.2 | Very high | 95.8 | Very high | 97 Ų | 97 | 60.6 Ų | 60.6 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | trans | -68.4 | 149.9 | 171.6 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | D51 A52 I53 | V49-D51 VanDerWaalsContact C-N 3.28Å; V49-D51 PolarHBondContact O-N 3.45Å; V49-A52 HydrophobicContact CG2-CB 3.41Å; V49-A52 VanDerWaalsContact CG2-CB 3.41Å; V49-A52 WeakPolarHBondContact O-CB 3.46Å; V49-A52 PolarHBondContact O-N 3.41Å; V49-A52 VanDerWaalsContact O-N 3.12Å; V49-I53 WeakPolarHBondContact O-CG1 2.95Å; V49-I53 PolarHBondContact O-N 3.35Å | ||
| 50 | P | 96.9 | Very high | 96 | Very high | 100 Ų | 100 | 60.7 Ų | 60.7 | 65% | 0.649 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.2 | -39.8 | -174.4 | 20.4 | -33 | 0 | 0 | 0 | 113 | I53 I54 | P50-I53 PolarHBondContact O-N 2.93Å; P50-I54 WeakPolarHBondContact O-CD1 3.35Å; P50-I54 VanDerWaalsContact O-CG1 3.26Å; P50-I54 WeakPolarHBondContact O-CG1 3.47Å; P50-I54 PolarHBondContact O-N 3.42Å |
| 51 | D | 97.1 | Very high | 96.1 | Very high | 107 Ų | 107 | 61.8 Ų | 61.8 | 57% | 0.572 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | 177.8 | -163.1 | -99.9 | 0 | 0 | 0 | 112 | V49 I53 I54 L55 | V49-D51 VanDerWaalsContact C-N 3.28Å; V49-D51 PolarHBondContact O-N 3.45Å; D51-I53 VanDerWaalsContact C-N 3.34Å; D51-I53 PolarHBondContact O-N 3.04Å; D51-I54 PolarHBondContact O-N 3.02Å; D51-L55 WeakPolarHBondContact O-CG 3.33Å; D51-L55 PolarHBondContact O-N 2.95Å |
| 52 | A | 97.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 62.8 Ų | 62.8 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T25 A27 V49 L55 C56 | T25-A52 WeakPolarHBondContact O-CA 3.43Å; T25-A52 WeakPolarHBondContact O-CB 3.47Å; A27-A52 HydrophobicContact CB-CB 4.08Å; V49-A52 HydrophobicContact CG2-CB 3.41Å; V49-A52 VanDerWaalsContact CG2-CB 3.41Å; V49-A52 WeakPolarHBondContact O-CB 3.46Å; V49-A52 PolarHBondContact O-N 3.41Å; V49-A52 VanDerWaalsContact O-N 3.12Å; A52-L55 PolarHBondContact O-N 3.19Å; A52-C56 WeakPolarHBondContact O-CB 3.4Å; A52-C56 PolarHBondContact O-N 3.04Å |
| 53 | I | 97.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 28% | 0.282 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 177.3 | -65.1 | 169.8 | 0 | 0 | 0 | 110.3 | V46 G48 V49 P50 D51 L55 C56 V57 | V46-I53 HydrophobicContact CG1-CG1 4.23Å; V46-I53 HydrophobicContact CG1-CG2 4.3Å; G48-I53 WeakPolarHBondContact O-CD1 3.32Å; V49-I53 WeakPolarHBondContact O-CG1 2.95Å; V49-I53 PolarHBondContact O-N 3.35Å; P50-I53 PolarHBondContact O-N 2.93Å; D51-I53 VanDerWaalsContact C-N 3.34Å; D51-I53 PolarHBondContact O-N 3.04Å; I53-L55 PolarHBondContact O-N 3.35Å; I53-C56 WeakPolarHBondContact O-CB 3.3Å; I53-C56 PolarHBondContact O-N 2.89Å; I53-V57 HydrophobicContact CG2-CG2 4.29Å; I53-V57 VanDerWaalsContact O-CG2 3.31Å; I53-V57 WeakPolarHBondContact O-CG2 3.32Å; I53-V57 PolarHBondContact O-N 2.9Å |
| 54 | I | 96.8 | Very high | 96.1 | Very high | 102 Ų | 102 | 61.3 Ų | 61.3 | 52% | 0.523 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 179.7 | -67.3 | 161.5 | 0 | 0 | 0 | 110.6 | P50 D51 C56 V57 R58 | P50-I54 WeakPolarHBondContact O-CD1 3.35Å; P50-I54 VanDerWaalsContact O-CG1 3.26Å; P50-I54 WeakPolarHBondContact O-CG1 3.47Å; P50-I54 PolarHBondContact O-N 3.42Å; D51-I54 PolarHBondContact O-N 3.02Å; I54-C56 VanDerWaalsContact C-N 3.34Å; I54-C56 PolarHBondContact O-N 3.25Å; I54-V57 PolarHBondContact O-N 2.77Å; I54-R58 WeakPolarHBondContact O-CB 3.27Å; I54-R58 PolarHBondContact O-N 2.82Å |
| 55 | L | 96.9 | Very high | 95.9 | Very high | 63 Ų | 63 | 66.6 Ų | 66.6 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 177.1 | -67.7 | 175.7 | 0 | 0 | 0 | 111.9 | T25 D51 A52 I53 R58 Q59 | T25-L55 HydrophobicContact CG2-CB 4.02Å; D51-L55 WeakPolarHBondContact O-CG 3.33Å; D51-L55 PolarHBondContact O-N 2.95Å; A52-L55 PolarHBondContact O-N 3.19Å; I53-L55 PolarHBondContact O-N 3.35Å; L55-R58 PolarHBondContact O-N 2.84Å; L55-Q59 PolarHBondContact O-N 3.35Å; L55-Q59 VanDerWaalsContact O-N 3.11Å |
| 56 | C | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.4 | -50.6 | 176.6 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | T25 A27 V29 V46 A52 I53 I54 R58 Q59 I60 | T25-C56 HydrophobicContact CG2-CB 4.23Å; A27-C56 HydrophobicContact CB-CB 3.8Å; V29-C56 WeakPolarHBondContact CG2-SG 3.41Å; V46-C56 HydrophobicContact CG1-CB 4.19Å; A52-C56 WeakPolarHBondContact O-CB 3.4Å; A52-C56 PolarHBondContact O-N 3.04Å; I53-C56 WeakPolarHBondContact O-CB 3.3Å; I53-C56 PolarHBondContact O-N 2.89Å; I54-C56 VanDerWaalsContact C-N 3.34Å; I54-C56 PolarHBondContact O-N 3.25Å; C56-R58 VanDerWaalsContact C-N 3.28Å; C56-R58 PolarHBondContact O-N 2.8Å; C56-Q59 PolarHBondContact O-N 3.03Å; C56-Q59 VanDerWaalsContact O-N 3.15Å; C56-I60 VanDerWaalsContact O-CG1 3.29Å; C56-I60 WeakPolarHBondContact O-CG1 3.43Å; C56-I60 PolarHBondContact O-N 3.49Å |
| 57 | V | 96.6 | Very high | 95.4 | Very high | 68 Ų | 68 | 69.6 Ų | 69.6 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 178.5 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | I53 I54 Q59 I60 C61 | I53-V57 HydrophobicContact CG2-CG2 4.29Å; I53-V57 VanDerWaalsContact O-CG2 3.31Å; I53-V57 WeakPolarHBondContact O-CG2 3.32Å; I53-V57 PolarHBondContact O-N 2.9Å; I54-V57 PolarHBondContact O-N 2.77Å; V57-Q59 PolarHBondContact O-N 2.97Å; V57-I60 PolarHBondContact O-N 2.8Å; V57-C61 WeakPolarHBondContact O-CB 3.37Å; V57-C61 PolarHBondContact O-N 3.22Å; V57-C61 PolarHBondContact O-SG 2.99Å; V57-C61 VanDerWaalsContact O-SG 3.37Å |
| 58 | R | 96.5 | Very high | 95 | Very high | 161 Ų | 161 | 70.8 Ų | 70.8 | 61% | 0.608 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -57.5 | -46.8 | 175.2 | -176.3 | -176.1 | -70.8 | 168.1 | -1.6 | 111.9 | I54 L55 C56 C61 A62 | I54-R58 WeakPolarHBondContact O-CB 3.27Å; I54-R58 PolarHBondContact O-N 2.82Å; L55-R58 PolarHBondContact O-N 2.84Å; C56-R58 VanDerWaalsContact C-N 3.28Å; C56-R58 PolarHBondContact O-N 2.8Å; R58-C61 PolarHBondContact O-N 3.27Å; R58-A62 PolarHBondContact O-N 3.49Å |
| 59 | Q | 95.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 71.2 Ų | 71.2 | 36% | 0.355 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 178.3 | -74 | -61.1 | 91 | 0 | 0 | 112.6 | I21 L55 C56 V57 C61 A62 V63 | I21-Q59 HydrophobicContact CG1-CB 4.32Å; I21-Q59 HydrophobicContact CG2-CB 4.37Å; L55-Q59 PolarHBondContact O-N 3.35Å; L55-Q59 VanDerWaalsContact O-N 3.11Å; C56-Q59 PolarHBondContact O-N 3.03Å; C56-Q59 VanDerWaalsContact O-N 3.15Å; V57-Q59 PolarHBondContact O-N 2.97Å; Q59-C61 VanDerWaalsContact C-N 3.34Å; Q59-C61 PolarHBondContact O-N 3.04Å; Q59-A62 PolarHBondContact O-N 2.89Å; Q59-V63 WeakPolarHBondContact O-CG2 3.2Å; Q59-V63 PolarHBondContact O-N 3.05Å; Q59-V63 VanDerWaalsContact O-N 3.1Å |
| 60 | I | 95.5 | Very high | 93.9 | Very high | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.072 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 175.5 | -68 | 169.4 | 0 | 0 | 0 | 110.1 | I2 L10 V46 C56 V57 A62 V63 I64 | I2-I60 HydrophobicContact CD1-CG2 3.69Å; L10-I60 HydrophobicContact CD1-CB 4.16Å; L10-I60 HydrophobicContact CD1-CG1 4.08Å; L10-I60 HydrophobicContact CD1-CG2 3.81Å; V46-I60 HydrophobicContact CG2-CD1 4.17Å; C56-I60 VanDerWaalsContact O-CG1 3.29Å; C56-I60 WeakPolarHBondContact O-CG1 3.43Å; C56-I60 PolarHBondContact O-N 3.49Å; V57-I60 PolarHBondContact O-N 2.8Å; I60-A62 PolarHBondContact O-N 3.13Å; I60-V63 PolarHBondContact O-N 3.13Å; I60-I64 HydrophobicContact CG2-CD1 3.77Å; I60-I64 HydrophobicContact CG2-CG1 4.5Å; I60-I64 VanDerWaalsContact O-CG1 3.3Å; I60-I64 WeakPolarHBondContact O-CG1 3.47Å; I60-I64 PolarHBondContact O-N 3.34Å |
| 61 | C | 95 | Very high | 93.1 | Very high | 60 Ų | 60 | 73.6 Ų | 73.6 | 41% | 0.405 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 176.5 | -75.1 | 0 | 0 | 0 | 0 | 112.1 | V57 R58 Q59 V63 I64 L65 | V57-C61 WeakPolarHBondContact O-CB 3.37Å; V57-C61 PolarHBondContact O-N 3.22Å; V57-C61 PolarHBondContact O-SG 2.99Å; V57-C61 VanDerWaalsContact O-SG 3.37Å; R58-C61 PolarHBondContact O-N 3.27Å; Q59-C61 VanDerWaalsContact C-N 3.34Å; Q59-C61 PolarHBondContact O-N 3.04Å; C61-V63 VanDerWaalsContact C-N 3.32Å; C61-V63 PolarHBondContact O-N 3.24Å; C61-I64 PolarHBondContact O-N 2.67Å; C61-L65 WeakPolarHBondContact O-CB 3.24Å; C61-L65 VanDerWaalsContact O-CG 3.27Å; C61-L65 WeakPolarHBondContact O-CG 3.33Å; C61-L65 PolarHBondContact O-N 2.93Å |
| 62 | A | 94.9 | Very high | 92.3 | Very high | 47 Ų | 47 | 73.1 Ų | 73.1 | 39% | 0.388 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.5 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R58 Q59 I60 I64 L65 E66 | R58-A62 PolarHBondContact O-N 3.49Å; Q59-A62 PolarHBondContact O-N 2.89Å; I60-A62 PolarHBondContact O-N 3.13Å; A62-I64 PolarHBondContact O-N 3.1Å; A62-L65 PolarHBondContact O-N 3.44Å; A62-E66 WeakPolarHBondContact O-CB 3.28Å; A62-E66 PolarHBondContact O-N 3.25Å |
| 63 | V | 93.7 | Very high | 91.6 | Very high | 14 Ų | 14 | 75.6 Ų | 75.6 | 9% | 0.085 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 178.5 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | L10 Q59 I60 C61 L65 E66 S67 | L10-V63 HydrophobicContact CB-CG1 4.45Å; L10-V63 HydrophobicContact CD1-CB 4.31Å; L10-V63 HydrophobicContact CD1-CG1 4.34Å; Q59-V63 WeakPolarHBondContact O-CG2 3.2Å; Q59-V63 PolarHBondContact O-N 3.05Å; Q59-V63 VanDerWaalsContact O-N 3.1Å; I60-V63 PolarHBondContact O-N 3.13Å; C61-V63 VanDerWaalsContact C-N 3.32Å; C61-V63 PolarHBondContact O-N 3.24Å; V63-L65 VanDerWaalsContact C-N 3.32Å; V63-L65 PolarHBondContact O-N 3.47Å; V63-E66 PolarHBondContact O-N 3.22Å; V63-S67 PolarHBondContact O-N 2.83Å |
| 64 | I | 92.9 | Very high | 91.2 | Very high | 43 Ų | 43 | 77.2 Ų | 77.2 | 22% | 0.221 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 176.8 | -70.3 | 169.4 | 0 | 0 | 0 | 111 | I2 Q6 I60 C61 A62 S67 | I2-I64 HydrophobicContact CD1-CD1 3.97Å; I2-I64 HydrophobicContact CG1-CD1 4.09Å; I2-I64 HydrophobicContact CG2-CD1 4.12Å; I2-I64 HydrophobicContact CG2-CG1 4.26Å; Q6-I64 PolarHBondContact NE2-O 3.43Å; I60-I64 HydrophobicContact CG2-CD1 3.77Å; I60-I64 HydrophobicContact CG2-CG1 4.5Å; I60-I64 VanDerWaalsContact O-CG1 3.3Å; I60-I64 WeakPolarHBondContact O-CG1 3.47Å; I60-I64 PolarHBondContact O-N 3.34Å; C61-I64 PolarHBondContact O-N 2.67Å; A62-I64 PolarHBondContact O-N 3.1Å; I64-S67 CarbonylContact O-C 3.54Å; I64-S67 VanDerWaalsContact O-O 3.08Å |
| 65 | L | 92 | Very high | 90.8 | Very high | 142 Ų | 142 | 76.2 Ų | 76.2 | 74% | 0.743 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -71.4 | -37.1 | 179.7 | -69 | 171.9 | 0 | 0 | 0 | 112.1 | C61 A62 V63 | C61-L65 WeakPolarHBondContact O-CB 3.24Å; C61-L65 VanDerWaalsContact O-CG 3.27Å; C61-L65 WeakPolarHBondContact O-CG 3.33Å; C61-L65 PolarHBondContact O-N 2.93Å; A62-L65 PolarHBondContact O-N 3.44Å; V63-L65 VanDerWaalsContact C-N 3.32Å; V63-L65 PolarHBondContact O-N 3.47Å |
| 66 | E | 92.4 | Very high | 90.4 | Very high | 161 Ų | 161 | 77.4 Ų | 77.4 | 75% | 0.752 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -70.4 | -35.5 | 178.5 | -174.9 | 168 | 87.8 | 0 | 0 | 112.4 | A62 V63 P68 | A62-E66 WeakPolarHBondContact O-CB 3.28Å; A62-E66 PolarHBondContact O-N 3.25Å; V63-E66 PolarHBondContact O-N 3.22Å; E66-P68 WeakPolarHBondContact O-CD 3.47Å |
| 67 | S | 89.4 | Confident | 89.9 | Confident | 33 Ų | 33 | 82 Ų | 82 | 23% | 0.231 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -113.6 | 87.6 | 178.3 | -70.2 | 0 | 0 | 0 | 0 | 110.7 | Q6 S9 V63 I64 | Q6-S67 WeakPolarHBondContact CG-O 3.48Å; Q6-S67 PolarHBondContact NE2-O 3.21Å; S9-S67 PolarHBondContact OG-OG 2.88Å; V63-S67 PolarHBondContact O-N 2.83Å; I64-S67 CarbonylContact O-C 3.54Å; I64-S67 VanDerWaalsContact O-O 3.08Å |
| 68 | P | 86.6 | Confident | 89 | Confident | 89 Ų | 89 | 83.2 Ų | 83.2 | 58% | 0.578 | 47% | 0.468 | S | S | * | . | trans | -59.6 | 155 | 177.9 | 25.1 | -33.9 | 0 | 0 | 0 | 111.5 | E66 K70 | E66-P68 WeakPolarHBondContact O-CD 3.47Å; P68-K70 PolarHBondContact O-N 3.34Å | ||
| 69 | P | 85.2 | Confident | 87.6 | Confident | 59 Ų | 59 | 79.8 Ų | 79.8 | 38% | 0.383 | 47% | 0.469 | S | S | . | . | trans | -63 | 129.8 | -179.1 | 26 | -31.5 | 0 | 0 | 0 | 110.4 | Q6 T73 | Q6-P69 HydrophobicContact CG-CB 4.11Å; P69-T73 HydrophobicContact CB-CG2 3.44Å; P69-T73 VanDerWaalsContact CB-CG2 3.44Å; P69-T73 HydrophobicContact CG-CG2 4.09Å | ||
| 70 | K | 84.9 | Confident | 85.6 | Confident | 180 Ų | 180 | 83.4 Ų | 83.4 | 78% | 0.783 | 49% | 0.489 | S | S | * | . | trans | -90.6 | 112.3 | 177.6 | -63 | -178 | -178.7 | -179 | 0 | 108.4 | P68 | P68-K70 PolarHBondContact O-N 3.34Š| ||
| 71 | G | 80.9 | Confident | 83.7 | Confident | 66 Ų | 66 | 88.2 Ų | 88.2 | 68% | 0.68 | 52% | 0.524 | S | S | * | . | S | Bend | trans | 91.6 | -164.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T73 | G71-T73 PolarHBondContact O-N 3.04Š|
| 72 | A | 79.7 | Confident | 81.6 | Confident | 98 Ų | 98 | 91.7 Ų | 91.7 | 81% | 0.81 | 54% | 0.538 | S | S | * | . | trans | -73.4 | 125.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 73 | T | 84 | Confident | 79.4 | Confident | 57 Ų | 57 | 92 Ų | 92 | 35% | 0.35 | 55% | 0.546 | S | S | . | . | trans | -107.4 | 122.2 | 171.9 | 62.1 | 0 | 0 | 0 | 0 | 109.5 | P3 T40 P69 G71 P75 | P3-T73 HydrophobicContact CB-CG2 4.01Å; P3-T73 HydrophobicContact CG-CG2 4.19Å; T40-T73 WeakPolarHBondContact OG1-CA 3.49Å; P69-T73 HydrophobicContact CB-CG2 3.44Å; P69-T73 VanDerWaalsContact CB-CG2 3.44Å; P69-T73 HydrophobicContact CG-CG2 4.09Å; G71-T73 PolarHBondContact O-N 3.04Å; T73-P75 WeakPolarHBondContact O-CD 3.43Å | ||
| 74 | I | 88.6 | Confident | 77.3 | Confident | 88 Ų | 88 | 96.8 Ų | 96.8 | 45% | 0.451 | 58% | 0.576 | S | S | . | * | trans | -98.3 | 106.7 | 173.6 | -55.5 | 172.7 | 0 | 0 | 0 | 107.4 | N38 S39 T40 | N38-I74 WeakPolarHBondContact O-CG2 3.39Å; S39-I74 WeakPolarHBondContact CA-O 3.38Å; S39-I74 PolarHBondContact OG-O 2.87Å; T40-I74 HydrophobicContact CG2-CB 4.07Å; T40-I74 HydrophobicContact CG2-CD1 4.22Å; T40-I74 HydrophobicContact CG2-CG1 4.11Å; T40-I74 PolarHBondContact N-O 2.66Å; T40-I74 PolarHBondContact OG1-N 3.04Å; T40-I74 PolarHBondContact OG1-O 2.79Å | ||
| 75 | P | 87.6 | Confident | 75.1 | Confident | 82 Ų | 82 | 99.4 Ų | 99.4 | 53% | 0.532 | 59% | 0.593 | S | S | . | * | trans | -66.8 | 146.2 | -177.8 | 27.9 | -34.2 | 0 | 0 | 0 | 110.9 | T73 H77 | T73-P75 WeakPolarHBondContact O-CD 3.43Å; P75-H77 PolarHBondContact O-N 2.84Å; P75-H77 PolarHBondContact O-ND1 3.17Å | ||
| 76 | Y | 89.8 | Confident | 73.1 | Confident | 87 Ų | 87 | 100 Ų | 100 | 34% | 0.341 | 60% | 0.597 | S | S | . | * | trans | -67.8 | 117.2 | 176.6 | 179.7 | -114.4 | 0 | 0 | 0 | 111 | L36 P37 S39 E41 P78 | L36-Y76 HydrophobicContact CB-CD2 3.63Å; L36-Y76 HydrophobicContact CB-CE2 4.09Å; L36-Y76 HydrophobicContact CB-CG 4.13Å; L36-Y76 HydrophobicContact CD1-CD1 4.11Å; L36-Y76 HydrophobicContact CD1-CD2 4.12Å; L36-Y76 HydrophobicContact CD1-CG 3.76Å; L36-Y76 HydrophobicContact CG-CD2 4.39Å; P37-Y76 HydrophobicContact CG-CE2 3.99Å; S39-Y76 WeakPolarHBondContact OG-CA 3.49Å; S39-Y76 PolarHBondContact OG-N 2.73Å; E41-Y76 VanDerWaalsContact OE2-CB 3.3Å; E41-Y76 WeakPolarHBondContact OE2-CB 3.38Å; E41-Y76 PolarHBondContact OE2-N 3.24Å; Y76-P78 HydrophobicContact CE1-CB 3.71Å; Y76-P78 HydrophobicContact CE1-CG 4.04Å | ||
| 77 | H | 85.4 | Confident | 71 | Confident | 96 Ų | 96 | 100 Ų | 100 | 44% | 0.444 | 60% | 0.6 | S | S | . | * | trans | -108.3 | 107.1 | 168.6 | 47.1 | -83.9 | 0 | 0 | 0 | 107.2 | N38 P75 S79 | N38-H77 PolarHBondContact O-CE1 3.11Å; P75-H77 PolarHBondContact O-N 2.84Å; P75-H77 PolarHBondContact O-ND1 3.17Å; H77-S79 PolarHBondContact O-N 2.85Å | ||
| 78 | P | 77.3 | Confident | 68.4 | Low | 94 Ų | 94 | 103.9 Ų | 103.9 | 61% | 0.61 | 63% | 0.628 | S | S | * | * | trans | -68.7 | 81 | 169.5 | 28.7 | -31.8 | 0 | 0 | 0 | 107.8 | Y76 L80 | Y76-P78 HydrophobicContact CE1-CB 3.71Å; Y76-P78 HydrophobicContact CE1-CG 4.04Å; P78-L80 PolarHBondContact O-N 3.41Å | ||
| 79 | S | 68.9 | Low | 66.7 | Low | 89 Ų | 89 | 103.6 Ų | 103.6 | 62% | 0.622 | 63% | 0.633 | S | S | * | * | trans | -70.5 | 127.6 | 162.4 | -170.3 | 0 | 0 | 0 | 0 | 105.7 | H77 S81 | H77-S79 PolarHBondContact O-N 2.85Å; S79-S81 VanDerWaalsContact C-N 3.3Å; S79-S81 PolarHBondContact O-N 3.14Å | ||
| 80 | L | 53 | Low | 65.2 | Low | 152 Ų | 152 | 107.9 Ų | 107.9 | 80% | 0.796 | 65% | 0.653 | S | S | * | * | trans | -49.3 | 109.5 | 154.6 | -89.8 | 127.4 | 0 | 0 | 0 | 105.3 | P78 L82 | P78-L80 PolarHBondContact O-N 3.41Å; L80-L82 PolarHBondContact O-N 2.79Å | ||
| 81 | S | 54.8 | Low | 63.2 | Low | 115 Ų | 115 | 107.9 Ų | 107.9 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | trans | -67.1 | 88 | 159.4 | -172.4 | 0 | 0 | 0 | 0 | 103.4 | S79 G83 | S79-S81 VanDerWaalsContact C-N 3.3Å; S79-S81 PolarHBondContact O-N 3.14Å; S81-G83 PolarHBondContact O-N 3.06Å | ||
| 82 | L | 52 | Low | 61.6 | Low | 134 Ų | 134 | 108.6 Ų | 108.6 | 70% | 0.702 | 66% | 0.663 | S | S | * | * | trans | -67 | 73.4 | 167.4 | -166.8 | 74.2 | 0 | 0 | 0 | 104.6 | L80 T84 | L80-L82 PolarHBondContact O-N 2.79Å; L82-T84 VanDerWaalsContact C-N 3.25Å; L82-T84 PolarHBondContact O-N 3.45Å | ||
| 83 | G | 49.2 | Very low | 59.7 | Low | 53 Ų | 53 | 113.8 Ų | 113.8 | 55% | 0.546 | 67% | 0.668 | S | S | . | * | trans | -55.8 | 103.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 104.6 | S81 V85 | S81-G83 PolarHBondContact O-N 3.06Å; G83-V85 WeakPolarHBondContact O-CG2 3.49Å; G83-V85 PolarHBondContact O-N 2.85Å | ||
| 84 | T | 48.7 | Very low | 57.5 | Low | 115 Ų | 115 | 116.6 Ų | 116.6 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | -8 | 84.5 | -179.3 | -52.8 | 0 | 0 | 0 | 0 | 113.8 | L82 L86 | L82-T84 VanDerWaalsContact C-N 3.25Å; L82-T84 PolarHBondContact O-N 3.45Å; T84-L86 VanDerWaalsContact C-N 3.26Å; T84-L86 HydrophobicContact CG2-CB 4.12Å; T84-L86 HydrophobicContact CG2-CD1 3.81Å; T84-L86 HydrophobicContact CG2-CG 3.75Å; T84-L86 PolarHBondContact O-N 2.84Å | ||
| 85 | V | 46.6 | Very low | 55.2 | Low | 98 Ų | 98 | 119.2 Ų | 119.2 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | trans | -95.8 | 71.3 | 156.9 | -173.8 | 0 | 0 | 0 | 0 | 105.5 | G83 L87 | G83-V85 WeakPolarHBondContact O-CG2 3.49Å; G83-V85 PolarHBondContact O-N 2.85Å; V85-L87 HydrophobicContact CG1-CB 4.36Å; V85-L87 HydrophobicContact CG1-CD1 3.31Å; V85-L87 HydrophobicContact CG1-CG 4.43Å; V85-L87 PolarHBondContact O-N 2.75Å | ||
| 86 | L | 49.2 | Very low | 52.7 | Low | 155 Ų | 155 | 124.8 Ų | 124.8 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | -77.5 | 75.7 | 160.8 | -72 | 174.4 | 0 | 0 | 0 | 107.3 | T84 S88 | T84-L86 VanDerWaalsContact C-N 3.26Å; T84-L86 HydrophobicContact CG2-CB 4.12Å; T84-L86 HydrophobicContact CG2-CD1 3.81Å; T84-L86 HydrophobicContact CG2-CG 3.75Å; T84-L86 PolarHBondContact O-N 2.84Å; L86-S88 PolarHBondContact O-N 3.42Å | ||
| 87 | L | 50.2 | Low | 50.2 | Low | 159 Ų | 159 | 123.6 Ų | 123.6 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -87.9 | 84.3 | 158 | -95.2 | 92.7 | 0 | 0 | 0 | 108.3 | V85 | V85-L87 HydrophobicContact CG1-CB 4.36Å; V85-L87 HydrophobicContact CG1-CD1 3.31Å; V85-L87 HydrophobicContact CG1-CG 4.43Å; V85-L87 PolarHBondContact O-N 2.75Å | ||
| 88 | S | 34.9 | Very low | 47.9 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -147.9 | 122.2 | 142.4 | -158.5 | 0 | 0 | 0 | 0 | 109 | L86 | L86-S88 PolarHBondContact O-N 3.42Š| ||
| 89 | A | 50.1 | Low | 46 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | trans | -62.5 | 144.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 90 | N | 53.6 | Low | 44.5 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 109.6 | 9 | 146.8 | 85.3 | 7.9 | 0 | 0 | 0 | 122.4 | ||
| 91 | Q | 43.4 | Very low | 44.1 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -135.4 | 123.5 | 165.9 | -62.5 | -163.9 | 18.3 | 0 | 0 | 113.2 | ||||
| 92 | G | 47.6 | Very low | 43.5 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -64.6 | 138.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 93 | F | 38.8 | Very low | 43.4 | Very low | 208 Ų | 208 | 129.9 Ų | 129.9 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | trans | -142 | 127.9 | 165.5 | -122.3 | -91.6 | 0 | 0 | 0 | 108.3 | ||||
| 94 | S | 38.8 | Very low | 43.4 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -71.6 | 125.8 | 178.3 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 95 | V | 40 | Very low | 43.5 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -83.7 | 130.6 | 172.9 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 96 | Q | 34.3 | Very low | 43.5 | Very low | 200 Ų | 200 | 132.5 Ų | 132.5 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | trans | -142 | 122.9 | 166 | -124.7 | 179.7 | -23.1 | 0 | 0 | 109.6 | ||||
| 97 | G | 38.3 | Very low | 43.5 | Very low | 62 Ų | 62 | 129.5 Ų | 129.5 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | trans | 121.9 | 70.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 98 | Q | 36.4 | Very low | 43.6 | Very low | 191 Ų | 191 | 126.8 Ų | 126.8 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -98 | 118.9 | 169.3 | -169.8 | 156.6 | -13.7 | 0 | 0 | 109.3 | G100 | Q98-G100 PolarHBondContact O-N 3.11Å; Q98-G100 VanDerWaalsContact O-N 3.11Å | ||
| 99 | Y | 37.4 | Very low | 44.1 | Very low | 233 Ų | 233 | 129.3 Ų | 129.3 | 91% | 0.914 | 75% | 0.754 | S | S | * | * | trans | -74.6 | 98.5 | 173.9 | -27.5 | -86.8 | 0 | 0 | 0 | 108.8 | ||||
| 100 | G | 38 | Very low | 44.2 | Very low | 51 Ų | 51 | 132 Ų | 132 | 53% | 0.526 | 76% | 0.755 | S | S | . | * | trans | -144 | 124.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107 | Q98 V102 | Q98-G100 PolarHBondContact O-N 3.11Å; Q98-G100 VanDerWaalsContact O-N 3.11Å; G100-V102 PolarHBondContact O-N 2.97Å | ||
| 101 | A | 44.4 | Very low | 44.1 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 94% | 0.942 | 75% | 0.745 | S | S | * | * | trans | -59 | 106.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 102 | V | 42.4 | Very low | 44.5 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | -92.6 | 123.2 | 172 | -67.3 | 0 | 0 | 0 | 0 | 108.8 | G100 | G100-V102 PolarHBondContact O-N 2.97Š| ||
| 103 | T | 49 | Very low | 44.7 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 59% | 0.589 | 74% | 0.742 | S | S | * | * | trans | -72.2 | 144.5 | 176.6 | 40.1 | 0 | 0 | 0 | 0 | 110.6 | A105 E106 | T103-A105 PolarHBondContact O-N 3.4Å; T103-E106 PolarHBondContact O-N 2.96Å | ||
| 104 | P | 49.7 | Very low | 44.9 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -4.5 | -170.5 | 24.9 | -34.2 | 0 | 0 | 0 | 115.5 | ||
| 105 | A | 50.3 | Low | 45.5 | Very low | 70 Ų | 70 | 125.7 Ų | 125.7 | 58% | 0.579 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -26.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T103 V107 | T103-A105 PolarHBondContact O-N 3.4Å; A105-V107 VanDerWaalsContact C-N 3.31Å; A105-V107 PolarHBondContact O-N 3.48Å |
| 106 | E | 46.2 | Very low | 45.8 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -9.9 | -176.4 | -67.2 | -75.6 | 102.3 | 0 | 0 | 112.6 | T103 T108 | T103-E106 PolarHBondContact O-N 2.96Å; E106-T108 VanDerWaalsContact C-N 3.34Å |
| 107 | V | 50.6 | Low | 46 | Very low | 93 Ų | 93 | 123 Ų | 123 | 56% | 0.564 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -8.8 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 112.3 | A105 | A105-V107 VanDerWaalsContact C-N 3.31Å; A105-V107 PolarHBondContact O-N 3.48Å |
| 108 | T | 50.6 | Low | 46 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -86.4 | -24.8 | -178.5 | -51.6 | 0 | 0 | 0 | 0 | 112.7 | E106 | E106-T108 VanDerWaalsContact C-N 3.34Š|
| 109 | K | 46.8 | Very low | 46 | Very low | 168 Ų | 168 | 122.9 Ų | 122.9 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -82.7 | -15.4 | -177.1 | -76.7 | -175.3 | 174.1 | 176.7 | 0 | 114.5 | ||
| 110 | L | 51.3 | Low | 46.2 | Very low | 138 Ų | 138 | 120.6 Ų | 120.6 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -93.1 | -8.1 | 178.1 | -82.5 | 161.5 | 0 | 0 | 0 | 114.1 | Q112 | L110-Q112 VanDerWaalsContact C-N 3.35Å; L110-Q112 PolarHBondContact O-N 3.49Å |
| 111 | Q | 51.7 | Low | 46 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 58% | 0.579 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -12.3 | -179.6 | -165.5 | 71.7 | 42.5 | 0 | 0 | 113.6 | ||
| 112 | Q | 51.7 | Low | 45.7 | Very low | 169 Ų | 169 | 121.2 Ų | 121.2 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 0.7 | -171.8 | -75.8 | -177.1 | -38 | 0 | 0 | 115.6 | L110 | L110-Q112 VanDerWaalsContact C-N 3.35Å; L110-Q112 PolarHBondContact O-N 3.49Å |
| 113 | L | 52.4 | Low | 46 | Very low | 158 Ų | 158 | 120.9 Ų | 120.9 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -113.4 | -7.3 | -177.3 | -59.3 | 169.7 | 0 | 0 | 0 | 114.4 | ||
| 114 | S | 42.1 | Very low | 45.6 | Very low | 81 Ų | 81 | 121.7 Ų | 121.7 | 57% | 0.566 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -116.9 | 88.1 | 173.8 | 63.4 | 0 | 0 | 0 | 0 | 109.2 | H116 | S114-H116 PolarHBondContact O-N 3.13Å; S114-H116 VanDerWaalsContact O-N 3.13Å |
| 115 | G | 51.1 | Low | 44.9 | Very low | 70 Ų | 70 | 121.7 Ų | 121.7 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | -56.1 | 118.1 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 116 | H | 48 | Very low | 44 | Very low | 188 Ų | 188 | 124.4 Ų | 124.4 | 87% | 0.87 | 73% | 0.725 | S | S | * | * | trans | -173.5 | 123.8 | 138.5 | -92.6 | 91.2 | 0 | 0 | 0 | 106.2 | S114 V118 | S114-H116 PolarHBondContact O-N 3.13Å; S114-H116 VanDerWaalsContact O-N 3.13Å; H116-V118 PolarHBondContact O-N 3.48Å | ||
| 117 | A | 36.9 | Very low | 44 | Very low | 98 Ų | 98 | 123 Ų | 123 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | -65.1 | 128.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 118 | V | 39.2 | Very low | 43.1 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | trans | -93.4 | 123.4 | 154.8 | -72.7 | 0 | 0 | 0 | 0 | 107.5 | H116 F120 | H116-V118 PolarHBondContact O-N 3.48Å; V118-F120 PolarHBondContact O-N 3.05Å | ||
| 119 | P | 35.8 | Very low | 42.2 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | trans | -70.6 | 107.5 | 177.4 | 26.6 | -29.4 | 0 | 0 | 0 | 108.8 | ||||
| 120 | F | 42.5 | Very low | 41.6 | Very low | 185 Ų | 185 | 127 Ų | 127 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -95.5 | 112 | 157.1 | -174.4 | -95.5 | 0 | 0 | 0 | 106.9 | V118 S122 | V118-F120 PolarHBondContact O-N 3.05Å; F120-S122 WeakPolarHBondContact CE1-OG 3.41Å; F120-S122 WeakPolarHBondContact CZ-OG 3.11Å | ||
| 121 | A | 34 | Very low | 41.1 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | -140.9 | 116.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 122 | S | 36.7 | Very low | 40 | Very low | 82 Ų | 82 | 124.9 Ų | 124.9 | 57% | 0.573 | 76% | 0.76 | S | S | * | * | trans | -73.2 | -156.2 | 176 | -48.4 | 0 | 0 | 0 | 0 | 111.5 | F120 | F120-S122 WeakPolarHBondContact CE1-OG 3.41Å; F120-S122 WeakPolarHBondContact CZ-OG 3.11Å | ||
| 123 | P | 49.3 | Very low | 39.3 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | -100.7 | 176.1 | -118 | 29.8 | -8.1 | 0 | 0 | 0 | 114.6 | |||||
| 124 | S | 39.9 | Very low | 38.3 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 90.5 | 142.1 | 154.8 | -146.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 125 | V | 35.7 | Very low | 38 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | trans | 93.9 | 103.9 | 152.6 | 167.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 126 | V | 32.5 | Very low | 37.2 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | 66.4 | 169.3 | 136.3 | -57.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 127 | P | 44.5 | Very low | 36.6 | Very low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | cis | -134.2 | 175.1 | -43.6 | 29.8 | -8.9 | 0 | 0 | 0 | 113.6 | ||||
| 128 | V | 32.7 | Very low | 36.6 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | 39.2 | 119.4 | 143.4 | 175.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 129 | L | 31.8 | Very low | 36.3 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | 179.7 | 118.1 | 107.1 | -160.7 | 70.4 | 0 | 0 | 0 | 111.9 | |||||
| 130 | L | 33.1 | Very low | 36.5 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | -79.3 | 162.2 | 163.5 | -150.2 | 58.8 | 0 | 0 | 0 | 107.8 | ||||
| 131 | P | 41.5 | Very low | 36.2 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | cis | -155.9 | 172.4 | 31.9 | 42.9 | -19.5 | 0 | 0 | 0 | 120.8 | ||||
| 132 | C | 28.7 | Very low | 36.3 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | 59.7 | 115.1 | 147 | -67.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 133 | L | 36.3 | Very low | 36.6 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | -156.5 | 132.1 | 103.1 | -148.2 | 66 | 0 | 0 | 0 | 113 | |||||
| 134 | R | 32.4 | Very low | 36.2 | Very low | 226 Ų | 226 | 140.8 Ų | 140.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -67.7 | 144.3 | 179.9 | -177.2 | -176.7 | -176.8 | 171.6 | 0.8 | 111.4 | ||||
| 135 | T | 35.1 | Very low | 36.2 | Very low | 136 Ų | 136 | 138 Ų | 138 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | -165.5 | 110.2 | 126.6 | -64.5 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 136 | G | 34.6 | Very low | 36.9 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -78.1 | 140.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 137 | S | 35.4 | Very low | 37.6 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -134 | 126.3 | 162.8 | -163.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 138 | Q | 37 | Very low | 37.7 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -79.8 | 135.2 | -175.3 | -53.6 | -173.2 | 90 | 0 | 0 | 109.5 | ||||
| 139 | H | 33.9 | Very low | 38.7 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -159.5 | 98.8 | 156 | -151.1 | 92.8 | 0 | 0 | 0 | 109.6 | ||||
| 140 | T | 39.6 | Very low | 39.5 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | trans | -108.8 | 119 | 161.2 | 49.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 141 | D | 35.8 | Very low | 39.8 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | trans | -7.5 | 125.4 | 170.3 | -79.4 | -110.4 | 0 | 0 | 0 | 119.4 | ||||
| 142 | Q | 36.6 | Very low | 39.7 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 83% | 0.831 | S | S | * | * | trans | -91.6 | 140.9 | 159.2 | -104.2 | -159 | 109.8 | 0 | 0 | 111 | ||||
| 143 | L | 41.7 | Very low | 40.3 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 70% | 0.696 | 84% | 0.835 | S | S | * | * | trans | 73.1 | 109.8 | 147.4 | -86.1 | 87.3 | 0 | 0 | 0 | 120.7 | ||||
| 144 | T | 42.2 | Very low | 40.6 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 92% | 0.92 | 83% | 0.83 | S | S | * | * | -126.6 | 116.2 | 118.4 | 39 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 145 | G | 38.8 | Very low | 41.1 | Very low | 55 Ų | 55 | 138.4 Ų | 138.4 | 57% | 0.567 | 83% | 0.828 | S | S | * | * | trans | -92.9 | -172.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 146 | V | 50.7 | Low | 41.5 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 93% | 0.933 | 83% | 0.828 | S | S | * | * | trans | 87.5 | 100.1 | 160.3 | -51.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 147 | S | 47 | Very low | 42 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 88% | 0.881 | 84% | 0.835 | S | S | * | * | -171.5 | 105.9 | 127.7 | -158.6 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 148 | G | 45.9 | Very low | 42.5 | Very low | 63 Ų | 63 | 145.2 Ų | 145.2 | 65% | 0.649 | 84% | 0.835 | S | S | * | * | 95.1 | 87.4 | 73.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 149 | S | 55.5 | Low | 42.9 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | 53.1 | 90.6 | 91.4 | 69.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 150 | Q | 47.3 | Very low | 43.7 | Very low | 274 Ų | 274 | 139 Ų | 139 | 100% | 1.28 | 84% | 0.835 | S | S | * | * | -175.3 | 0 | 110.4 | -97.4 | -175.9 | 105.2 | 0 | 0 | 109.7 |
Retrieved 150 of 150 residues in 221.1 ms
(Link to these results)