| 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 | T | 63.1 | Low | 87.7 | Confident | 149 Ų | 149 | 115.5 Ų | 115.5 | 91% | 0.914 | 59% | 0.585 | S | S | * | * | 0 | 120.6 | 0 | 36.8 | 0 | 0 | 0 | 0 | 109.2 | G3 S4 | T1-G3 VanDerWaalsContact C-N 3.3Å; T1-G3 PolarHBondContact O-N 3.07Å; T1-S4 PolarHBondContact O-N 2.97Å; T1-S4 PolarHBondContact OG1-OG 2.73Å | |||
| 2 | R | 76.3 | Confident | 88.3 | Confident | 221 Ų | 221 | 116.6 Ų | 116.6 | 83% | 0.834 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -55.7 | -41.9 | -180 | -104 | 175.9 | 158.7 | 172.6 | -7.1 | 112.6 | S4 R5 D6 | R2-S4 VanDerWaalsContact C-N 3.25Å; R2-S4 PolarHBondContact O-N 3.23Å; R2-S4 VanDerWaalsContact O-N 3.14Å; R2-R5 WeakPolarHBondContact O-CB 3.44Å; R2-R5 PolarHBondContact O-N 3.39Å; R2-D6 PolarHBondContact O-N 3.38Å |
| 3 | G | 86.8 | Confident | 88.9 | Confident | 48 Ų | 48 | 112.2 Ų | 112.2 | 50% | 0.495 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.7 | -24.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1 R7 | T1-G3 VanDerWaalsContact C-N 3.3Å; T1-G3 PolarHBondContact O-N 3.07Å; G3-R7 WeakPolarHBondContact O-CB 3.5Å; G3-R7 PolarHBondContact O-N 2.97Å |
| 4 | S | 86.6 | Confident | 89.4 | Confident | 64 Ų | 64 | 107.8 Ų | 107.8 | 45% | 0.448 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.7 | -33.4 | 174.8 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | T1 R2 I8 | T1-S4 PolarHBondContact O-N 2.97Å; T1-S4 PolarHBondContact OG1-OG 2.73Å; R2-S4 VanDerWaalsContact C-N 3.25Å; R2-S4 PolarHBondContact O-N 3.23Å; R2-S4 VanDerWaalsContact O-N 3.14Å; S4-I8 WeakPolarHBondContact O-CD1 3.47Å; S4-I8 WeakPolarHBondContact O-CG1 3.49Å; S4-I8 PolarHBondContact O-N 2.97Å; S4-I8 VanDerWaalsContact O-N 3.16Å |
| 5 | R | 89.7 | Confident | 89.8 | Confident | 197 Ų | 197 | 106.6 Ų | 106.6 | 74% | 0.743 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -72.1 | -41.1 | 174.4 | -76.7 | -175.4 | 178.1 | 149.1 | -0.8 | 111.5 | R2 R7 I8 A9 | R2-R5 WeakPolarHBondContact O-CB 3.44Å; R2-R5 PolarHBondContact O-N 3.39Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 3.14Å; R5-I8 PolarHBondContact O-N 3.35Å; R5-A9 PolarHBondContact O-N 3.22Å |
| 6 | D | 92.6 | Very high | 90.3 | Very high | 105 Ų | 105 | 102.8 Ų | 102.8 | 56% | 0.561 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.6 | -40.7 | 178.1 | -57.2 | -29.6 | 0 | 0 | 0 | 110.7 | R2 A9 E10 | R2-D6 PolarHBondContact O-N 3.38Å; D6-A9 PolarHBondContact O-N 3.39Å; D6-E10 WeakPolarHBondContact O-CB 3.45Å; D6-E10 PolarHBondContact O-N 3Å |
| 7 | R | 92.8 | Very high | 90.7 | Very high | 135 Ų | 135 | 104.5 Ų | 104.5 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67 | -36.7 | 175.7 | -172.6 | 56.5 | 176.2 | 179.3 | 2.7 | 113.4 | G3 R5 E10 L11 | G3-R7 WeakPolarHBondContact O-CB 3.5Å; G3-R7 PolarHBondContact O-N 2.97Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 3.14Å; R7-E10 WeakPolarHBondContact CD-OE2 3.34Å; R7-E10 IonicContact CZ-OE2 2.77Å; R7-E10 VanDerWaalsContact NH1-CD 3.26Å; R7-E10 IonicContact NH1-OE1 3.96Å; R7-E10 PolarHBondContact NH1-OE1 3.07Å; R7-E10 IonicContact NH1-OE2 3.78Å; R7-E10 PolarHBondContact NH1-OE2 2.94Å; R7-L11 HydrophobicContact CG-CD1 4.28Å; R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.45Å; R7-L11 PolarHBondContact O-N 3.16Å; R7-L11 VanDerWaalsContact O-N 3.07Å |
| 8 | I | 92.9 | Very high | 91 | Very high | 92 Ų | 92 | 105.9 Ų | 105.9 | 47% | 0.472 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.6 | -47.1 | 174.7 | -71.4 | 164 | 0 | 0 | 0 | 109.9 | S4 R5 E10 L11 E12 | S4-I8 WeakPolarHBondContact O-CD1 3.47Å; S4-I8 WeakPolarHBondContact O-CG1 3.49Å; S4-I8 PolarHBondContact O-N 2.97Å; S4-I8 VanDerWaalsContact O-N 3.16Å; R5-I8 PolarHBondContact O-N 3.35Å; I8-E10 VanDerWaalsContact C-N 3.32Å; I8-E10 PolarHBondContact O-N 2.95Å; I8-L11 PolarHBondContact O-N 3.38Å; I8-E12 HydrophobicContact CG2-CG 4.33Å; I8-E12 WeakPolarHBondContact CG2-OE1 3.4Å; I8-E12 WeakPolarHBondContact O-CB 3.36Å; I8-E12 WeakPolarHBondContact O-CG 3.34Å; I8-E12 PolarHBondContact O-N 2.9Å |
| 9 | A | 94.4 | Very high | 91.3 | Very high | 53 Ų | 53 | 109.3 Ų | 109.3 | 44% | 0.438 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.4 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R5 D6 A13 | R5-A9 PolarHBondContact O-N 3.22Å; D6-A9 PolarHBondContact O-N 3.39Å; A9-A13 WeakPolarHBondContact O-CB 3.48Å; A9-A13 PolarHBondContact O-N 3.23Å |
| 10 | E | 94.8 | Very high | 91.6 | Very high | 110 Ų | 110 | 107.3 Ų | 107.3 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.9 | -44.1 | 175.3 | -171.9 | -172.3 | -176.6 | 0 | 0 | 112.1 | D6 R7 I8 A13 A14 | D6-E10 WeakPolarHBondContact O-CB 3.45Å; D6-E10 PolarHBondContact O-N 3Å; R7-E10 WeakPolarHBondContact CD-OE2 3.34Å; R7-E10 IonicContact CZ-OE2 2.77Å; R7-E10 VanDerWaalsContact NH1-CD 3.26Å; R7-E10 IonicContact NH1-OE1 3.96Å; R7-E10 PolarHBondContact NH1-OE1 3.07Å; R7-E10 IonicContact NH1-OE2 3.78Å; R7-E10 PolarHBondContact NH1-OE2 2.94Å; I8-E10 VanDerWaalsContact C-N 3.32Å; I8-E10 PolarHBondContact O-N 2.95Å; E10-A13 PolarHBondContact O-N 3.17Å; E10-A14 WeakPolarHBondContact O-CB 3.27Å; E10-A14 PolarHBondContact O-N 3.44Å |
| 11 | L | 94.5 | Very high | 91.8 | Very high | 96 Ų | 96 | 105.1 Ų | 105.1 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 177.9 | -71.6 | 171.7 | 0 | 0 | 0 | 112.2 | R7 I8 A14 L15 | R7-L11 HydrophobicContact CG-CD1 4.28Å; R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.45Å; R7-L11 PolarHBondContact O-N 3.16Å; R7-L11 VanDerWaalsContact O-N 3.07Å; I8-L11 PolarHBondContact O-N 3.38Å; L11-A14 PolarHBondContact O-N 3.22Å; L11-L15 WeakPolarHBondContact O-CB 3.2Å; L11-L15 PolarHBondContact O-N 2.92Å |
| 12 | E | 94.7 | Very high | 93.4 | Very high | 129 Ų | 129 | 100.9 Ų | 100.9 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 174 | -73.8 | 174.1 | 173.6 | 0 | 0 | 111.4 | I8 L15 A16 | I8-E12 HydrophobicContact CG2-CG 4.33Å; I8-E12 WeakPolarHBondContact CG2-OE1 3.4Å; I8-E12 WeakPolarHBondContact O-CB 3.36Å; I8-E12 WeakPolarHBondContact O-CG 3.34Å; I8-E12 PolarHBondContact O-N 2.9Å; E12-L15 PolarHBondContact O-N 2.89Å; E12-A16 WeakPolarHBondContact O-CB 3.42Å; E12-A16 PolarHBondContact O-N 3.33Å |
| 13 | A | 96.1 | Very high | 94.4 | Very high | 59 Ų | 59 | 98.4 Ų | 98.4 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A9 E10 L15 A16 Q17 | A9-A13 WeakPolarHBondContact O-CB 3.48Å; A9-A13 PolarHBondContact O-N 3.23Å; E10-A13 PolarHBondContact O-N 3.17Å; A13-L15 PolarHBondContact O-N 3.45Å; A13-A16 PolarHBondContact O-N 3Å; A13-Q17 WeakPolarHBondContact O-CB 3.44Å; A13-Q17 PolarHBondContact O-N 2.93Å |
| 14 | A | 96 | Very high | 94.9 | Very high | 51 Ų | 51 | 103.4 Ų | 103.4 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E10 L11 Q17 E18 | E10-A14 WeakPolarHBondContact O-CB 3.27Å; E10-A14 PolarHBondContact O-N 3.44Å; L11-A14 PolarHBondContact O-N 3.22Å; A14-Q17 PolarHBondContact O-N 3.5Å; A14-E18 PolarHBondContact O-N 3.43Å |
| 15 | L | 96.4 | Very high | 95.4 | Very high | 90 Ų | 90 | 105.5 Ų | 105.5 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.6 | -35.9 | 177.5 | -174.1 | 143.1 | 0 | 0 | 0 | 112.2 | L11 E12 A13 R19 | L11-L15 WeakPolarHBondContact O-CB 3.2Å; L11-L15 PolarHBondContact O-N 2.92Å; E12-L15 PolarHBondContact O-N 2.89Å; A13-L15 PolarHBondContact O-N 3.45Å; L15-R19 WeakPolarHBondContact O-CG 3.36Å; L15-R19 PolarHBondContact O-N 2.66Å; L15-R19 VanDerWaalsContact O-N 3.1Å |
| 16 | A | 96.6 | Very high | 95.7 | Very high | 46 Ų | 46 | 101 Ų | 101 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | E12 A13 E18 R19 D20 | E12-A16 WeakPolarHBondContact O-CB 3.42Å; E12-A16 PolarHBondContact O-N 3.33Å; A13-A16 PolarHBondContact O-N 3Å; A16-E18 PolarHBondContact O-N 3.31Å; A16-R19 PolarHBondContact O-N 3.47Å; A16-D20 PolarHBondContact O-N 3.34Å |
| 17 | Q | 96.9 | Very high | 96 | Very high | 132 Ų | 132 | 97.8 Ų | 97.8 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.4 | -44.5 | 175.8 | -176.6 | 178.4 | 0.1 | 0 | 0 | 111.7 | A13 A14 R19 D20 T21 | A13-Q17 WeakPolarHBondContact O-CB 3.44Å; A13-Q17 PolarHBondContact O-N 2.93Å; A14-Q17 PolarHBondContact O-N 3.5Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 3.37Å; Q17-D20 PolarHBondContact O-N 3.42Å; Q17-D20 VanDerWaalsContact O-N 3.17Å; Q17-T21 WeakPolarHBondContact O-CG2 3.35Å; Q17-T21 PolarHBondContact O-N 2.95Å; Q17-T21 PolarHBondContact O-OG1 2.97Å |
| 18 | E | 96.6 | Very high | 96.1 | Very high | 129 Ų | 129 | 95.2 Ų | 95.2 | 60% | 0.603 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.8 | -36.3 | 179.2 | -169.6 | 60.4 | -155.9 | 0 | 0 | 112.5 | A14 A16 T21 S22 | A14-E18 PolarHBondContact O-N 3.43Å; A16-E18 PolarHBondContact O-N 3.31Å; E18-T21 VanDerWaalsContact CA-OG1 3.32Å; E18-T21 WeakPolarHBondContact CA-OG1 3.32Å; E18-T21 PolarHBondContact O-OG1 3.2Å; E18-S22 VanDerWaalsContact O-CB 3.24Å; E18-S22 WeakPolarHBondContact O-CB 3.32Å; E18-S22 PolarHBondContact O-N 3.44Å |
| 19 | R | 97 | Very high | 96.2 | Very high | 171 Ų | 171 | 95.6 Ų | 95.6 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.7 | -40.3 | 172.8 | -75.1 | 174.4 | 170.2 | 166.2 | -2 | 111.8 | L15 A16 Q17 R23 | L15-R19 WeakPolarHBondContact O-CG 3.36Å; L15-R19 PolarHBondContact O-N 2.66Å; L15-R19 VanDerWaalsContact O-N 3.1Å; A16-R19 PolarHBondContact O-N 3.47Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 3.37Å; R19-R23 VanDerWaalsContact O-CB 3.26Å; R19-R23 WeakPolarHBondContact O-CB 3.26Å; R19-R23 PolarHBondContact O-N 3.01Å |
| 20 | D | 96.9 | Very high | 96.3 | Very high | 68 Ų | 68 | 97.4 Ų | 97.4 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 178.7 | -78.2 | -18.8 | 0 | 0 | 0 | 112.5 | A16 Q17 R23 K24 | A16-D20 PolarHBondContact O-N 3.34Å; Q17-D20 PolarHBondContact O-N 3.42Å; Q17-D20 VanDerWaalsContact O-N 3.17Å; D20-R23 IonicContact OD1-CZ 3.73Å; D20-R23 IonicContact OD1-NE 3.39Å; D20-R23 IonicContact OD1-NH2 2.73Å; D20-R23 PolarHBondContact OD1-NH2 2.96Å; D20-K24 WeakPolarHBondContact O-CG 3.24Å; D20-K24 PolarHBondContact O-N 3.29Å |
| 21 | T | 96.6 | Very high | 96.4 | Very high | 62 Ų | 62 | 98 Ų | 98 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 174.9 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | Q17 E18 R23 K24 L25 | Q17-T21 WeakPolarHBondContact O-CG2 3.35Å; Q17-T21 PolarHBondContact O-N 2.95Å; Q17-T21 PolarHBondContact O-OG1 2.97Å; E18-T21 VanDerWaalsContact CA-OG1 3.32Å; E18-T21 WeakPolarHBondContact CA-OG1 3.32Å; E18-T21 PolarHBondContact O-OG1 3.2Å; T21-R23 PolarHBondContact O-N 2.94Å; T21-K24 PolarHBondContact O-N 3.27Å; T21-L25 PolarHBondContact O-N 2.92Å |
| 22 | S | 96 | Very high | 96.5 | Very high | 60 Ų | 60 | 97.6 Ų | 97.6 | 42% | 0.42 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | E18 K24 L25 L26 | E18-S22 VanDerWaalsContact O-CB 3.24Å; E18-S22 WeakPolarHBondContact O-CB 3.32Å; E18-S22 PolarHBondContact O-N 3.44Å; S22-K24 PolarHBondContact O-N 3.05Å; S22-L25 PolarHBondContact O-N 3.1Å; S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 2.86Å |
| 23 | R | 97.1 | Very high | 96.4 | Very high | 170 Ų | 170 | 96.2 Ų | 96.2 | 64% | 0.642 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.3 | -41.1 | 177.1 | 178.1 | 169.1 | 56.4 | 166.3 | -1.4 | 112.9 | R19 D20 T21 G27 | R19-R23 VanDerWaalsContact O-CB 3.26Å; R19-R23 WeakPolarHBondContact O-CB 3.26Å; R19-R23 PolarHBondContact O-N 3.01Å; D20-R23 IonicContact OD1-CZ 3.73Å; D20-R23 IonicContact OD1-NE 3.39Å; D20-R23 IonicContact OD1-NH2 2.73Å; D20-R23 PolarHBondContact OD1-NH2 2.96Å; T21-R23 PolarHBondContact O-N 2.94Å; R23-G27 PolarHBondContact O-N 3.03Å |
| 24 | K | 97.2 | Very high | 96.4 | Very high | 152 Ų | 152 | 95.9 Ų | 95.9 | 66% | 0.661 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.9 | -45.4 | 176.2 | -75.6 | 175 | -178.9 | 179.8 | 0 | 111.6 | D20 T21 S22 L26 G27 D28 | D20-K24 WeakPolarHBondContact O-CG 3.24Å; D20-K24 PolarHBondContact O-N 3.29Å; T21-K24 PolarHBondContact O-N 3.27Å; S22-K24 PolarHBondContact O-N 3.05Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-L26 PolarHBondContact O-N 3.43Å; K24-G27 PolarHBondContact O-N 3.46Å; K24-D28 PolarHBondContact O-N 2.98Å |
| 25 | L | 97.3 | Very high | 96.5 | Very high | 109 Ų | 109 | 97.8 Ų | 97.8 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 178.7 | -179.3 | 63.3 | 0 | 0 | 0 | 111.7 | T21 S22 D28 K29 | T21-L25 PolarHBondContact O-N 2.92Å; S22-L25 PolarHBondContact O-N 3.1Å; L25-D28 PolarHBondContact O-N 3.49Å; L25-K29 VanDerWaalsContact O-CG 3.26Å; L25-K29 WeakPolarHBondContact O-CG 3.5Å; L25-K29 PolarHBondContact O-N 3.06Å |
| 26 | L | 96.5 | Very high | 96.4 | Very high | 102 Ų | 102 | 98.3 Ų | 98.3 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 174.6 | -72.9 | 171.7 | 0 | 0 | 0 | 111.3 | S22 K24 D28 K29 D30 | S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 2.86Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-L26 PolarHBondContact O-N 3.43Å; L26-D28 VanDerWaalsContact C-N 3.32Å; L26-D28 PolarHBondContact O-N 3.1Å; L26-K29 WeakPolarHBondContact O-CB 3.43Å; L26-K29 PolarHBondContact O-N 2.85Å; L26-K29 VanDerWaalsContact O-N 3.1Å; L26-D30 VanDerWaalsContact O-CG 3.31Å; L26-D30 PolarHBondContact O-N 2.77Å |
| 27 | G | 97.9 | Very high | 96.2 | Very high | 37 Ų | 37 | 102.2 Ų | 102.2 | 38% | 0.381 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -37.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R23 K24 R31 | R23-G27 PolarHBondContact O-N 3.03Å; K24-G27 PolarHBondContact O-N 3.46Å; G27-R31 WeakPolarHBondContact O-CB 3.48Å; G27-R31 PolarHBondContact O-N 2.97Å |
| 28 | D | 96.5 | Very high | 96.1 | Very high | 81 Ų | 81 | 98.8 Ų | 98.8 | 43% | 0.433 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 174.3 | -83.4 | -38.7 | 0 | 0 | 0 | 112.3 | K24 L25 L26 R31 E32 | K24-D28 PolarHBondContact O-N 2.98Å; L25-D28 PolarHBondContact O-N 3.49Å; L26-D28 VanDerWaalsContact C-N 3.32Å; L26-D28 PolarHBondContact O-N 3.1Å; D28-R31 PolarHBondContact O-N 3.03Å; D28-R31 IonicContact OD1-CZ 2.8Å; D28-R31 IonicContact OD1-NE 3.59Å; D28-R31 IonicContact OD1-NH2 2.62Å; D28-R31 PolarHBondContact OD1-NH2 3.37Å; D28-E32 WeakPolarHBondContact O-CB 3.49Å; D28-E32 PolarHBondContact O-N 3.35Å |
| 29 | K | 94.9 | Very high | 96 | Very high | 100 Ų | 100 | 98.9 Ų | 98.9 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.5 | -42.8 | 176 | -70 | -74.2 | 154.4 | -162.8 | 0 | 111.7 | L25 L26 R31 E32 M33 | L25-K29 VanDerWaalsContact O-CG 3.26Å; L25-K29 WeakPolarHBondContact O-CG 3.5Å; L25-K29 PolarHBondContact O-N 3.06Å; L26-K29 WeakPolarHBondContact O-CB 3.43Å; L26-K29 PolarHBondContact O-N 2.85Å; L26-K29 VanDerWaalsContact O-N 3.1Å; K29-R31 VanDerWaalsContact C-N 3.29Å; K29-R31 PolarHBondContact O-N 2.96Å; K29-E32 IonicContact NZ-OE2 3.71Å; K29-E32 PolarHBondContact NZ-OE2 2.93Å; K29-E32 PolarHBondContact O-N 2.8Å; K29-M33 WeakPolarHBondContact O-CG 3.26Å; K29-M33 PolarHBondContact O-N 2.97Å |
| 30 | D | 95.1 | Very high | 95.7 | Very high | 92 Ų | 92 | 95.9 Ų | 95.9 | 49% | 0.492 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 175.6 | -68 | -21.7 | 0 | 0 | 0 | 111.4 | L26 M33 A34 | L26-D30 VanDerWaalsContact O-CG 3.31Å; L26-D30 PolarHBondContact O-N 2.77Å; D30-M33 HydrophobicContact CB-CE 4.47Å; D30-M33 PolarHBondContact O-N 3.44Å; D30-M33 WeakPolarHBondContact OD1-CE 3.42Å; D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 3.39Å |
| 31 | R | 97.7 | Very high | 95.3 | Very high | 122 Ų | 122 | 98.4 Ų | 98.4 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 173.5 | -178.1 | -179.1 | 53.1 | 68.3 | 6.4 | 112.1 | G27 D28 K29 M33 A34 E35 | G27-R31 WeakPolarHBondContact O-CB 3.48Å; G27-R31 PolarHBondContact O-N 2.97Å; D28-R31 PolarHBondContact O-N 3.03Å; D28-R31 IonicContact OD1-CZ 2.8Å; D28-R31 IonicContact OD1-NE 3.59Å; D28-R31 IonicContact OD1-NH2 2.62Å; D28-R31 PolarHBondContact OD1-NH2 3.37Å; K29-R31 VanDerWaalsContact C-N 3.29Å; K29-R31 PolarHBondContact O-N 2.96Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 2.86Å; R31-A34 PolarHBondContact O-N 3.48Å; R31-E35 WeakPolarHBondContact CG-OE1 3.18Å; R31-E35 IonicContact CZ-OE1 3.95Å; R31-E35 IonicContact NH1-OE1 2.65Å; R31-E35 PolarHBondContact NH1-OE1 2.93Å; R31-E35 IonicContact NH1-OE2 3.92Å; R31-E35 WeakPolarHBondContact O-CG 3.48Å; R31-E35 PolarHBondContact O-N 3.01Å |
| 32 | E | 96.4 | Very high | 95.3 | Very high | 88 Ų | 88 | 101.1 Ų | 101.1 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 176.1 | -174.3 | 178.2 | -167.3 | 0 | 0 | 111.1 | D28 K29 E35 I36 | D28-E32 WeakPolarHBondContact O-CB 3.49Å; D28-E32 PolarHBondContact O-N 3.35Å; K29-E32 IonicContact NZ-OE2 3.71Å; K29-E32 PolarHBondContact NZ-OE2 2.93Å; K29-E32 PolarHBondContact O-N 2.8Å; E32-E35 PolarHBondContact O-N 3.28Å; E32-I36 HydrophobicContact CG-CD1 4.12Å; E32-I36 VanDerWaalsContact O-CG1 3.28Å; E32-I36 WeakPolarHBondContact O-CG1 3.47Å; E32-I36 PolarHBondContact O-N 3.45Å |
| 33 | M | 93.3 | Very high | 95 | Very high | 100 Ų | 100 | 103.5 Ų | 103.5 | 49% | 0.493 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 174.8 | -71.3 | -169.5 | -63.8 | 0 | 0 | 111.9 | K29 D30 R31 E35 I36 Q37 | K29-M33 WeakPolarHBondContact O-CG 3.26Å; K29-M33 PolarHBondContact O-N 2.97Å; D30-M33 HydrophobicContact CB-CE 4.47Å; D30-M33 PolarHBondContact O-N 3.44Å; D30-M33 WeakPolarHBondContact OD1-CE 3.42Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 2.86Å; M33-E35 PolarHBondContact O-N 3.25Å; M33-I36 PolarHBondContact O-N 3.42Å; M33-Q37 WeakPolarHBondContact O-CB 3.37Å; M33-Q37 WeakPolarHBondContact O-CG 3.43Å; M33-Q37 PolarHBondContact O-N 2.88Å |
| 34 | A | 95.7 | Very high | 94.7 | Very high | 52 Ų | 52 | 99.4 Ų | 99.4 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D30 R31 Q37 A38 | D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 3.39Å; R31-A34 PolarHBondContact O-N 3.48Å; A34-Q37 PolarHBondContact O-N 2.9Å; A34-A38 WeakPolarHBondContact O-CB 3.38Å; A34-A38 PolarHBondContact O-N 3.33Å |
| 35 | E | 97.2 | Very high | 94.4 | Very high | 90 Ų | 90 | 95.8 Ų | 95.8 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 175.4 | -74.9 | 174.3 | -155.9 | 0 | 0 | 111.9 | R31 E32 M33 K39 | R31-E35 WeakPolarHBondContact CG-OE1 3.18Å; R31-E35 IonicContact CZ-OE1 3.95Å; R31-E35 IonicContact NH1-OE1 2.65Å; R31-E35 PolarHBondContact NH1-OE1 2.93Å; R31-E35 IonicContact NH1-OE2 3.92Å; R31-E35 WeakPolarHBondContact O-CG 3.48Å; R31-E35 PolarHBondContact O-N 3.01Å; E32-E35 PolarHBondContact O-N 3.28Å; M33-E35 PolarHBondContact O-N 3.25Å; E35-K39 WeakPolarHBondContact O-CG 3.28Å; E35-K39 PolarHBondContact O-N 3.06Å; E35-K39 VanDerWaalsContact O-N 3.09Å |
| 36 | I | 94.3 | Very high | 94.2 | Very high | 102 Ų | 102 | 94.5 Ų | 94.5 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 177.1 | -69.1 | 167.1 | 0 | 0 | 0 | 110.7 | E32 M33 A38 K39 M40 | E32-I36 HydrophobicContact CG-CD1 4.12Å; E32-I36 VanDerWaalsContact O-CG1 3.28Å; E32-I36 WeakPolarHBondContact O-CG1 3.47Å; E32-I36 PolarHBondContact O-N 3.45Å; M33-I36 PolarHBondContact O-N 3.42Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.02Å; I36-K39 PolarHBondContact O-N 3.4Å; I36-M40 PolarHBondContact O-N 3.41Å |
| 37 | Q | 92.7 | Very high | 94.1 | Very high | 128 Ų | 128 | 97 Ų | 97 | 60% | 0.598 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60 | -43.4 | 176.5 | -75.7 | 177.5 | -8.3 | 0 | 0 | 111.7 | M33 A34 K39 M40 Q41 | M33-Q37 WeakPolarHBondContact O-CB 3.37Å; M33-Q37 WeakPolarHBondContact O-CG 3.43Å; M33-Q37 PolarHBondContact O-N 2.88Å; A34-Q37 PolarHBondContact O-N 2.9Å; Q37-K39 PolarHBondContact O-N 2.91Å; Q37-M40 PolarHBondContact O-N 3.2Å; Q37-Q41 PolarHBondContact O-N 3.42Å |
| 38 | A | 95.3 | Very high | 93.6 | Very high | 60 Ų | 60 | 101.1 Ų | 101.1 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | A34 I36 Q41 Q42 | A34-A38 WeakPolarHBondContact O-CB 3.38Å; A34-A38 PolarHBondContact O-N 3.33Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.02Å; A38-Q41 PolarHBondContact O-N 3.16Å; A38-Q42 WeakPolarHBondContact O-CB 3.37Å; A38-Q42 PolarHBondContact O-N 2.78Å |
| 39 | K | 94.4 | Very high | 93.4 | Very high | 130 Ų | 130 | 102 Ų | 102 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.4 | -42.8 | 175.2 | -75.2 | 173.8 | -177.7 | 171 | 0 | 112.1 | E35 I36 Q37 Q41 Q42 Q43 | E35-K39 WeakPolarHBondContact O-CG 3.28Å; E35-K39 PolarHBondContact O-N 3.06Å; E35-K39 VanDerWaalsContact O-N 3.09Å; I36-K39 PolarHBondContact O-N 3.4Å; Q37-K39 PolarHBondContact O-N 2.91Å; K39-Q41 VanDerWaalsContact C-N 3.35Å; K39-Q42 PolarHBondContact O-N 2.93Å; K39-Q43 WeakPolarHBondContact O-CG 3.12Å; K39-Q43 PolarHBondContact O-N 2.95Å |
| 40 | M | 90.6 | Very high | 93.4 | Very high | 108 Ų | 108 | 102.4 Ų | 102.4 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 176.9 | -174.3 | 177.3 | 77.4 | 0 | 0 | 110.9 | I36 Q37 Q42 Q43 L44 | I36-M40 PolarHBondContact O-N 3.41Å; Q37-M40 PolarHBondContact O-N 3.2Å; M40-Q42 VanDerWaalsContact C-N 3.31Å; M40-Q42 PolarHBondContact O-N 2.91Å; M40-Q43 PolarHBondContact O-N 3.35Å; M40-L44 PolarHBondContact O-N 2.79Å |
| 41 | Q | 89.8 | Confident | 93.2 | Very high | 122 Ų | 122 | 101.2 Ų | 101.2 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -39.8 | 177.3 | -169.2 | 62.3 | 36.8 | 0 | 0 | 112.2 | Q37 A38 K39 L44 N45 | Q37-Q41 PolarHBondContact O-N 3.42Å; A38-Q41 PolarHBondContact O-N 3.16Å; K39-Q41 VanDerWaalsContact C-N 3.35Å; Q41-L44 PolarHBondContact O-N 3.43Å; Q41-N45 PolarHBondContact O-N 2.96Å; Q41-N45 VanDerWaalsContact O-N 3.14Å |
| 42 | Q | 95.3 | Very high | 92.8 | Very high | 119 Ų | 119 | 100 Ų | 100 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.5 | -45.4 | 175.4 | -175.4 | -178.2 | -18.2 | 0 | 0 | 111.3 | A38 K39 M40 L44 N45 D46 | A38-Q42 WeakPolarHBondContact O-CB 3.37Å; A38-Q42 PolarHBondContact O-N 2.78Å; K39-Q42 PolarHBondContact O-N 2.93Å; M40-Q42 VanDerWaalsContact C-N 3.31Å; M40-Q42 PolarHBondContact O-N 2.91Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 3.34Å; Q42-N45 PolarHBondContact O-N 3.4Å; Q42-D46 VanDerWaalsContact O-CG 3.3Å; Q42-D46 PolarHBondContact O-N 3.29Å |
| 43 | Q | 90.8 | Very high | 92.8 | Very high | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 177.6 | -72.8 | -175.2 | -56.1 | 0 | 0 | 112.1 | K39 M40 N45 D46 Y47 | K39-Q43 WeakPolarHBondContact O-CG 3.12Å; K39-Q43 PolarHBondContact O-N 2.95Å; M40-Q43 PolarHBondContact O-N 3.35Å; Q43-N45 VanDerWaalsContact C-N 3.33Å; Q43-N45 PolarHBondContact O-N 3.34Å; Q43-D46 PolarHBondContact O-N 3.27Å; Q43-Y47 HydrophobicContact CB-CD2 4.46Å; Q43-Y47 HydrophobicContact CB-CE2 4.25Å; Q43-Y47 WeakPolarHBondContact O-CD2 3.17Å; Q43-Y47 PolarHBondContact O-N 3.46Å |
| 44 | L | 90.3 | Very high | 92.9 | Very high | 83 Ų | 83 | 99.8 Ų | 99.8 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 176.2 | -71.2 | 174.2 | 0 | 0 | 0 | 111.9 | M40 Q41 Q42 Y47 E48 | M40-L44 PolarHBondContact O-N 2.79Å; Q41-L44 PolarHBondContact O-N 3.43Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 3.34Å; L44-Y47 PolarHBondContact O-N 3.4Å; L44-E48 PolarHBondContact O-N 3.45Å |
| 45 | N | 90.3 | Very high | 92.6 | Very high | 77 Ų | 77 | 99.7 Ų | 99.7 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 176.6 | -173.8 | 5.9 | 0 | 0 | 0 | 112.1 | Q41 Q42 Q43 Y47 E48 Q49 | Q41-N45 PolarHBondContact O-N 2.96Å; Q41-N45 VanDerWaalsContact O-N 3.14Å; Q42-N45 PolarHBondContact O-N 3.4Å; Q43-N45 VanDerWaalsContact C-N 3.33Å; Q43-N45 PolarHBondContact O-N 3.34Å; N45-Y47 VanDerWaalsContact C-N 3.3Å; N45-Y47 PolarHBondContact O-N 2.92Å; N45-E48 PolarHBondContact O-N 2.95Å; N45-Q49 WeakPolarHBondContact O-CG 3.38Å; N45-Q49 PolarHBondContact O-N 3.41Å; N45-Q49 PolarHBondContact O-NE2 3.45Å; N45-Q49 PolarHBondContact OD1-NE2 2.95Å |
| 46 | D | 93.7 | Very high | 92.4 | Very high | 82 Ų | 82 | 97.7 Ų | 97.7 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | 176.3 | -67.5 | -15.8 | 0 | 0 | 0 | 111.3 | Q42 Q43 L50 | Q42-D46 VanDerWaalsContact O-CG 3.3Å; Q42-D46 PolarHBondContact O-N 3.29Å; Q43-D46 PolarHBondContact O-N 3.27Å; D46-L50 WeakPolarHBondContact O-CB 3.39Å; D46-L50 PolarHBondContact O-N 3.09Å |
| 47 | Y | 94.4 | Very high | 92.4 | Very high | 153 Ų | 153 | 96.9 Ų | 96.9 | 60% | 0.6 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.6 | -42.4 | 174.5 | -75.9 | -59.1 | 0 | 0 | 0 | 112.7 | Q43 L44 N45 L50 L51 | Q43-Y47 HydrophobicContact CB-CD2 4.46Å; Q43-Y47 HydrophobicContact CB-CE2 4.25Å; Q43-Y47 WeakPolarHBondContact O-CD2 3.17Å; Q43-Y47 PolarHBondContact O-N 3.46Å; L44-Y47 PolarHBondContact O-N 3.4Å; N45-Y47 VanDerWaalsContact C-N 3.3Å; N45-Y47 PolarHBondContact O-N 2.92Å; Y47-L50 PolarHBondContact O-N 2.89Å; Y47-L51 PolarHBondContact O-N 2.88Å |
| 48 | E | 87.7 | Confident | 92.3 | Very high | 124 Ų | 124 | 93.6 Ų | 93.6 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59 | -48.1 | 175.4 | -173.8 | -179.2 | 174.2 | 0 | 0 | 111 | L44 N45 L50 L51 D52 | L44-E48 PolarHBondContact O-N 3.45Å; N45-E48 PolarHBondContact O-N 2.95Å; E48-L50 VanDerWaalsContact C-N 3.29Å; E48-L50 PolarHBondContact O-N 3.33Å; E48-L51 WeakPolarHBondContact O-CB 3.36Å; E48-L51 PolarHBondContact O-N 2.62Å; E48-L51 VanDerWaalsContact O-N 3.17Å; E48-D52 PolarHBondContact O-N 2.94Å |
| 49 | Q | 90.9 | Very high | 92 | Very high | 99 Ų | 99 | 97.4 Ų | 97.4 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 175.4 | -71.8 | 172 | 55 | 0 | 0 | 112.7 | N45 D52 V53 | N45-Q49 WeakPolarHBondContact O-CG 3.38Å; N45-Q49 PolarHBondContact O-N 3.41Å; N45-Q49 PolarHBondContact O-NE2 3.45Å; N45-Q49 PolarHBondContact OD1-NE2 2.95Å; Q49-D52 PolarHBondContact O-N 3.28Å; Q49-V53 WeakPolarHBondContact O-CG2 3.42Å; Q49-V53 PolarHBondContact O-N 3.34Å; Q49-V53 VanDerWaalsContact O-N 3.1Å |
| 50 | L | 96.2 | Very high | 92 | Very high | 109 Ų | 109 | 95.9 Ų | 95.9 | 57% | 0.571 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.7 | -38 | 177.5 | -176.1 | 61.5 | 0 | 0 | 0 | 111.7 | D46 Y47 E48 V53 K54 | D46-L50 WeakPolarHBondContact O-CB 3.39Å; D46-L50 PolarHBondContact O-N 3.09Å; Y47-L50 PolarHBondContact O-N 2.89Å; E48-L50 VanDerWaalsContact C-N 3.29Å; E48-L50 PolarHBondContact O-N 3.33Å; L50-V53 PolarHBondContact O-N 2.81Å; L50-K54 WeakPolarHBondContact O-CB 3.42Å; L50-K54 PolarHBondContact O-N 2.93Å |
| 51 | L | 91.5 | Very high | 92.1 | Very high | 68 Ų | 68 | 94.4 Ų | 94.4 | 36% | 0.356 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 173.6 | -180 | 62.3 | 0 | 0 | 0 | 110.9 | Y47 E48 V53 K54 L55 | Y47-L51 PolarHBondContact O-N 2.88Å; E48-L51 WeakPolarHBondContact O-CB 3.36Å; E48-L51 PolarHBondContact O-N 2.62Å; E48-L51 VanDerWaalsContact O-N 3.17Å; L51-V53 VanDerWaalsContact C-N 3.33Å; L51-V53 PolarHBondContact O-N 2.76Å; L51-K54 CarbonylContact O-C 3.59Å; L51-K54 WeakPolarHBondContact O-CA 3.46Å; L51-K54 WeakPolarHBondContact O-CB 3.37Å; L51-K54 PolarHBondContact O-N 2.82Å; L51-L55 HydrophobicContact CD1-CG 4.47Å; L51-L55 HydrophobicContact CG-CD1 4.35Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 2.85Å |
| 52 | D | 88.8 | Confident | 92.1 | Very high | 97 Ų | 97 | 92.2 Ų | 92.2 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -55.9 | -47.1 | 175.7 | -80.8 | -14.2 | 0 | 0 | 0 | 112 | E48 Q49 K54 L55 A56 | E48-D52 PolarHBondContact O-N 2.94Å; Q49-D52 PolarHBondContact O-N 3.28Å; D52-K54 VanDerWaalsContact C-N 3.31Å; D52-K54 PolarHBondContact O-N 2.65Å; D52-L55 PolarHBondContact O-N 3Å; D52-A56 PolarHBondContact O-N 2.82Å |
| 53 | V | 95.8 | Very high | 91.9 | Very high | 84 Ų | 84 | 89.4 Ų | 89.4 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | Q49 L50 L51 A56 L57 | Q49-V53 WeakPolarHBondContact O-CG2 3.42Å; Q49-V53 PolarHBondContact O-N 3.34Å; Q49-V53 VanDerWaalsContact O-N 3.1Å; L50-V53 PolarHBondContact O-N 2.81Å; L51-V53 VanDerWaalsContact C-N 3.33Å; L51-V53 PolarHBondContact O-N 2.76Å; V53-A56 PolarHBondContact O-N 2.9Å; V53-L57 HydrophobicContact CG1-CD1 4.18Å; V53-L57 WeakPolarHBondContact O-CG 3.35Å; V53-L57 PolarHBondContact O-N 2.89Å |
| 54 | K | 95.7 | Very high | 92.1 | Very high | 98 Ų | 98 | 91.4 Ų | 91.4 | 43% | 0.426 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 177.6 | 178.6 | -91.9 | 171.2 | -173.9 | 0 | 111.7 | L50 L51 D52 A56 L57 D58 | L50-K54 WeakPolarHBondContact O-CB 3.42Å; L50-K54 PolarHBondContact O-N 2.93Å; L51-K54 CarbonylContact O-C 3.59Å; L51-K54 WeakPolarHBondContact O-CA 3.46Å; L51-K54 WeakPolarHBondContact O-CB 3.37Å; L51-K54 PolarHBondContact O-N 2.82Å; D52-K54 VanDerWaalsContact C-N 3.31Å; D52-K54 PolarHBondContact O-N 2.65Å; K54-A56 VanDerWaalsContact C-N 3.34Å; K54-L57 PolarHBondContact O-N 3.34Å; K54-D58 WeakPolarHBondContact CE-OD2 3.35Å; K54-D58 IonicContact NZ-OD2 3.2Å; K54-D58 PolarHBondContact NZ-OD2 3.06Å; K54-D58 PolarHBondContact O-N 2.94Å |
| 55 | L | 89.3 | Confident | 92.1 | Very high | 51 Ų | 51 | 94.7 Ų | 94.7 | 27% | 0.267 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 177.2 | -70 | 174.4 | 0 | 0 | 0 | 111.1 | L51 D52 L57 D58 M59 | L51-L55 HydrophobicContact CD1-CG 4.47Å; L51-L55 HydrophobicContact CG-CD1 4.35Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 2.85Å; D52-L55 PolarHBondContact O-N 3Å; L55-L57 PolarHBondContact O-N 2.98Å; L55-D58 PolarHBondContact O-N 3.44Å; L55-M59 WeakPolarHBondContact O-CG 3.29Å; L55-M59 PolarHBondContact O-N 2.93Å |
| 56 | A | 92.4 | Very high | 92 | Very high | 47 Ų | 47 | 98.2 Ų | 98.2 | 39% | 0.388 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D52 V53 K54 D58 M59 E60 | D52-A56 PolarHBondContact O-N 2.82Å; V53-A56 PolarHBondContact O-N 2.9Å; K54-A56 VanDerWaalsContact C-N 3.34Å; A56-D58 PolarHBondContact O-N 2.88Å; A56-M59 WeakPolarHBondContact O-CB 3.41Å; A56-M59 PolarHBondContact O-N 2.78Å; A56-E60 WeakPolarHBondContact O-CG 3.22Å; A56-E60 PolarHBondContact O-N 3.4Å |
| 57 | L | 94.8 | Very high | 91.7 | Very high | 85 Ų | 85 | 99.5 Ų | 99.5 | 45% | 0.445 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 177.2 | -71.3 | 173.3 | 0 | 0 | 0 | 112.6 | V53 K54 L55 M59 E60 I61 | V53-L57 HydrophobicContact CG1-CD1 4.18Å; V53-L57 WeakPolarHBondContact O-CG 3.35Å; V53-L57 PolarHBondContact O-N 2.89Å; K54-L57 PolarHBondContact O-N 3.34Å; L55-L57 PolarHBondContact O-N 2.98Å; L57-M59 VanDerWaalsContact C-N 3.31Å; L57-M59 PolarHBondContact O-N 3.26Å; L57-E60 WeakPolarHBondContact O-CB 3.25Å; L57-E60 PolarHBondContact O-N 3.08Å; L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.36Å; L57-I61 PolarHBondContact O-N 3.03Å |
| 58 | D | 90.6 | Very high | 91.2 | Very high | 60 Ų | 60 | 97 Ų | 97 | 32% | 0.321 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 175.4 | -83.7 | -2.6 | 0 | 0 | 0 | 112.1 | K54 L55 A56 I61 N62 | K54-D58 WeakPolarHBondContact CE-OD2 3.35Å; K54-D58 IonicContact NZ-OD2 3.2Å; K54-D58 PolarHBondContact NZ-OD2 3.06Å; K54-D58 PolarHBondContact O-N 2.94Å; L55-D58 PolarHBondContact O-N 3.44Å; A56-D58 PolarHBondContact O-N 2.88Å; D58-I61 PolarHBondContact O-N 3.44Å; D58-N62 WeakPolarHBondContact O-CB 3.13Å; D58-N62 VanDerWaalsContact O-CG 3.29Å; D58-N62 PolarHBondContact O-N 2.87Å; D58-N62 PolarHBondContact O-ND2 2.82Å |
| 59 | M | 88.5 | Confident | 90.8 | Very high | 140 Ų | 140 | 96.4 Ų | 96.4 | 69% | 0.69 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 172.6 | -71.2 | 175.4 | 59.5 | 0 | 0 | 111.3 | L55 A56 L57 N62 A63 | L55-M59 WeakPolarHBondContact O-CG 3.29Å; L55-M59 PolarHBondContact O-N 2.93Å; A56-M59 WeakPolarHBondContact O-CB 3.41Å; A56-M59 PolarHBondContact O-N 2.78Å; L57-M59 VanDerWaalsContact C-N 3.31Å; L57-M59 PolarHBondContact O-N 3.26Å; M59-N62 PolarHBondContact O-N 3.07Å; M59-A63 WeakPolarHBondContact O-CB 3.23Å; M59-A63 PolarHBondContact O-N 3.07Å |
| 60 | E | 94.4 | Very high | 89.8 | Confident | 98 Ų | 98 | 93.5 Ų | 93.5 | 46% | 0.458 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 175.8 | -72.7 | -177.7 | -168.3 | 0 | 0 | 111.8 | A56 L57 N62 A63 Y64 | A56-E60 WeakPolarHBondContact O-CG 3.22Å; A56-E60 PolarHBondContact O-N 3.4Å; L57-E60 WeakPolarHBondContact O-CB 3.25Å; L57-E60 PolarHBondContact O-N 3.08Å; E60-N62 VanDerWaalsContact C-N 3.3Å; E60-N62 PolarHBondContact O-N 3.28Å; E60-A63 WeakPolarHBondContact O-CA 3.25Å; E60-A63 WeakPolarHBondContact O-CB 3.16Å; E60-A63 PolarHBondContact O-N 2.92Å; E60-A63 VanDerWaalsContact O-N 3.08Å; E60-Y64 HydrophobicContact CB-CD2 4.39Å; E60-Y64 HydrophobicContact CB-CE2 4.03Å; E60-Y64 WeakPolarHBondContact O-CD2 3.45Å; E60-Y64 PolarHBondContact O-N 3.26Å |
| 61 | I | 92.6 | Very high | 88.5 | Confident | 76 Ų | 76 | 93 Ų | 93 | 39% | 0.39 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.6 | -44.9 | 177.6 | -70.1 | 165.9 | 0 | 0 | 0 | 110.6 | L57 D58 A63 Y64 R65 | L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.36Å; L57-I61 PolarHBondContact O-N 3.03Å; D58-I61 PolarHBondContact O-N 3.44Å; I61-A63 VanDerWaalsContact C-N 3.33Å; I61-A63 PolarHBondContact O-N 3.44Å; I61-Y64 PolarHBondContact O-N 3.35Å; I61-R65 WeakPolarHBondContact O-CG 3.19Å; I61-R65 PolarHBondContact O-N 3.45Å |
| 62 | N | 91.3 | Very high | 87.2 | Confident | 77 Ų | 77 | 95.5 Ų | 95.5 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -36 | 177.6 | -76.5 | -44.1 | 0 | 0 | 0 | 112.4 | D58 M59 E60 K66 | D58-N62 WeakPolarHBondContact O-CB 3.13Å; D58-N62 VanDerWaalsContact O-CG 3.29Å; D58-N62 PolarHBondContact O-N 2.87Å; D58-N62 PolarHBondContact O-ND2 2.82Å; M59-N62 PolarHBondContact O-N 3.07Å; E60-N62 VanDerWaalsContact C-N 3.3Å; E60-N62 PolarHBondContact O-N 3.28Å; N62-K66 WeakPolarHBondContact O-CG 3.29Å; N62-K66 PolarHBondContact O-N 3.14Å; N62-K66 VanDerWaalsContact O-N 3.09Å |
| 63 | A | 90.9 | Very high | 86 | Confident | 59 Ų | 59 | 96 Ų | 96 | 49% | 0.488 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | M59 E60 I61 K66 L67 | M59-A63 WeakPolarHBondContact O-CB 3.23Å; M59-A63 PolarHBondContact O-N 3.07Å; E60-A63 WeakPolarHBondContact O-CA 3.25Å; E60-A63 WeakPolarHBondContact O-CB 3.16Å; E60-A63 PolarHBondContact O-N 2.92Å; E60-A63 VanDerWaalsContact O-N 3.08Å; I61-A63 VanDerWaalsContact C-N 3.33Å; I61-A63 PolarHBondContact O-N 3.44Å; A63-K66 PolarHBondContact O-N 3.05Å; A63-L67 PolarHBondContact O-N 2.92Å |
| 64 | Y | 94.2 | Very high | 84.5 | Confident | 152 Ų | 152 | 100.3 Ų | 100.3 | 60% | 0.596 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 176.6 | -68.9 | -56.6 | 0 | 0 | 0 | 112.3 | E60 I61 L67 L68 | E60-Y64 HydrophobicContact CB-CD2 4.39Å; E60-Y64 HydrophobicContact CB-CE2 4.03Å; E60-Y64 WeakPolarHBondContact O-CD2 3.45Å; E60-Y64 PolarHBondContact O-N 3.26Å; I61-Y64 PolarHBondContact O-N 3.35Å; Y64-L67 PolarHBondContact O-N 3.02Å; Y64-L68 PolarHBondContact O-N 3.22Å; Y64-L68 VanDerWaalsContact O-N 3.11Å |
| 65 | R | 91.2 | Very high | 82.6 | Confident | 152 Ų | 152 | 104.7 Ų | 104.7 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.6 | -48.8 | 174.7 | -74.4 | 175.8 | 178.4 | 169.5 | 0 | 111.9 | I61 L67 L68 E69 | I61-R65 WeakPolarHBondContact O-CG 3.19Å; I61-R65 PolarHBondContact O-N 3.45Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 3.03Å; R65-L68 PolarHBondContact O-N 3.21Å; R65-E69 WeakPolarHBondContact O-CG 3.27Å; R65-E69 PolarHBondContact O-N 3.44Å |
| 66 | K | 88.1 | Confident | 81.1 | Confident | 152 Ų | 152 | 108.8 Ų | 108.8 | 66% | 0.661 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.7 | -35 | 178.4 | -76 | 176.4 | 179.3 | 172.3 | 0 | 113.2 | N62 A63 G70 | N62-K66 WeakPolarHBondContact O-CG 3.29Å; N62-K66 PolarHBondContact O-N 3.14Å; N62-K66 VanDerWaalsContact O-N 3.09Å; A63-K66 PolarHBondContact O-N 3.05Å; K66-G70 PolarHBondContact O-N 3.42Å; K66-G70 VanDerWaalsContact O-N 3.15Å |
| 67 | L | 86.4 | Confident | 79.6 | Confident | 109 Ų | 109 | 113.9 Ų | 113.9 | 57% | 0.571 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.4 | -44.1 | 176.7 | -175 | 61.9 | 0 | 0 | 0 | 111.2 | A63 Y64 R65 G70 E71 | A63-L67 PolarHBondContact O-N 2.92Å; Y64-L67 PolarHBondContact O-N 3.02Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 3.03Å; L67-G70 PolarHBondContact O-N 3.41Å; L67-E71 PolarHBondContact O-N 3.01Å; L67-E71 VanDerWaalsContact O-N 3.08Å |
| 68 | L | 83.9 | Confident | 77.7 | Confident | 101 Ų | 101 | 115.6 Ų | 115.6 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.3 | -106.1 | 66.9 | 0 | 0 | 0 | 112.2 | Y64 R65 G70 E71 E72 | Y64-L68 PolarHBondContact O-N 3.22Å; Y64-L68 VanDerWaalsContact O-N 3.11Å; R65-L68 PolarHBondContact O-N 3.21Å; L68-G70 VanDerWaalsContact C-N 3.26Å; L68-G70 PolarHBondContact O-N 2.94Å; L68-E71 PolarHBondContact O-N 2.81Å; L68-E71 VanDerWaalsContact O-N 3.08Å; L68-E72 WeakPolarHBondContact O-CG 3.4Å; L68-E72 PolarHBondContact O-N 2.86Å |
| 69 | E | 79.1 | Confident | 75.4 | Confident | 111 Ų | 111 | 117.1 Ų | 117.1 | 52% | 0.519 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -56.9 | -41.2 | 175.3 | -72.1 | 168.8 | -169.9 | 0 | 0 | 111.4 | R65 E71 E72 E73 | R65-E69 WeakPolarHBondContact O-CG 3.27Å; R65-E69 PolarHBondContact O-N 3.44Å; E69-E71 PolarHBondContact O-N 2.86Å; E69-E72 PolarHBondContact O-N 3.28Å; E69-E73 PolarHBondContact O-N 2.78Å |
| 70 | G | 69.4 | Low | 73.4 | Confident | 38 Ų | 38 | 116 Ų | 116 | 39% | 0.392 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.5 | -28.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K66 L67 L68 | K66-G70 PolarHBondContact O-N 3.42Å; K66-G70 VanDerWaalsContact O-N 3.15Å; L67-G70 PolarHBondContact O-N 3.41Å; L68-G70 VanDerWaalsContact C-N 3.26Å; L68-G70 PolarHBondContact O-N 2.94Å |
| 71 | E | 69.2 | Low | 70.9 | Confident | 99 Ų | 99 | 116 Ų | 116 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.9 | -47.5 | 171.3 | -71.8 | -169.9 | 167.5 | 0 | 0 | 111 | L67 L68 E69 E73 R74 W75 | L67-E71 PolarHBondContact O-N 3.01Å; L67-E71 VanDerWaalsContact O-N 3.08Å; L68-E71 PolarHBondContact O-N 2.81Å; L68-E71 VanDerWaalsContact O-N 3.08Å; E69-E71 PolarHBondContact O-N 2.86Å; E71-E73 VanDerWaalsContact C-N 3.29Å; E71-E73 PolarHBondContact O-N 2.81Å; E71-R74 CarbonylContact O-C 3.58Å; E71-R74 WeakPolarHBondContact O-CA 3.34Å; E71-R74 VanDerWaalsContact O-CB 3.32Å; E71-R74 WeakPolarHBondContact O-CB 3.27Å; E71-R74 PolarHBondContact O-N 2.99Å; E71-W75 PolarHBondContact O-N 2.83Å |
| 72 | E | 65.4 | Low | 68.7 | Low | 119 Ų | 119 | 118.6 Ų | 118.6 | 56% | 0.556 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -57.2 | -40.8 | 178.5 | -71.2 | -179.4 | 176.2 | 0 | 0 | 112.2 | L68 E69 R74 W75 L76 | L68-E72 WeakPolarHBondContact O-CG 3.4Å; L68-E72 PolarHBondContact O-N 2.86Å; E69-E72 PolarHBondContact O-N 3.28Å; E72-R74 VanDerWaalsContact C-N 3.28Å; E72-R74 PolarHBondContact O-N 3.27Å; E72-W75 PolarHBondContact O-N 2.84Å; E72-L76 WeakPolarHBondContact O-CB 3.39Å; E72-L76 VanDerWaalsContact O-CG 3.28Å; E72-L76 WeakPolarHBondContact O-CG 3.41Å; E72-L76 PolarHBondContact O-N 2.98Å |
| 73 | E | 62.4 | Low | 66.1 | Low | 108 Ų | 108 | 120 Ų | 120 | 51% | 0.505 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.1 | -33.5 | 173.1 | -79 | -166.7 | -161.7 | 0 | 0 | 113.6 | E69 E71 K77 | E69-E73 PolarHBondContact O-N 2.78Å; E71-E73 VanDerWaalsContact C-N 3.29Å; E71-E73 PolarHBondContact O-N 2.81Å; E73-K77 WeakPolarHBondContact O-CB 3.49Å; E73-K77 VanDerWaalsContact O-CD 3.3Å; E73-K77 WeakPolarHBondContact O-CD 3.43Å; E73-K77 VanDerWaalsContact O-CG 3.23Å; E73-K77 WeakPolarHBondContact O-CG 3.24Å; E73-K77 PolarHBondContact O-N 3.38Å; E73-K77 IonicContact OE2-NZ 3.85Å; E73-K77 PolarHBondContact OE2-NZ 2.83Å |
| 74 | R | 64.6 | Low | 63.8 | Low | 174 Ų | 174 | 121.9 Ų | 121.9 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.4 | -40.3 | 176.3 | -169.7 | -171.3 | -59.5 | -90.9 | -1.1 | 110.7 | E71 E72 K77 L78 | E71-R74 CarbonylContact O-C 3.58Å; E71-R74 WeakPolarHBondContact O-CA 3.34Å; E71-R74 VanDerWaalsContact O-CB 3.32Å; E71-R74 WeakPolarHBondContact O-CB 3.27Å; E71-R74 PolarHBondContact O-N 2.99Å; E72-R74 VanDerWaalsContact C-N 3.28Å; E72-R74 PolarHBondContact O-N 3.27Å; R74-K77 PolarHBondContact O-N 2.85Å; R74-L78 HydrophobicContact CG-CD1 4.02Å; R74-L78 WeakPolarHBondContact O-CB 3.33Å; R74-L78 WeakPolarHBondContact O-CD1 3.4Å; R74-L78 VanDerWaalsContact O-CG 3.24Å; R74-L78 WeakPolarHBondContact O-CG 3.4Å; R74-L78 PolarHBondContact O-N 2.85Å |
| 75 | W | 55.8 | Low | 61.1 | Low | 190 Ų | 190 | 123.6 Ų | 123.6 | 72% | 0.72 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.8 | -41.1 | 174.2 | -74.1 | 103.9 | 0 | 0 | 0 | 111.8 | E71 E72 K77 L78 | E71-W75 PolarHBondContact O-N 2.83Å; E72-W75 PolarHBondContact O-N 2.84Å; W75-K77 VanDerWaalsContact C-N 3.29Å; W75-K77 PolarHBondContact O-N 2.8Å; W75-L78 PolarHBondContact O-N 2.74Å |
| 76 | L | 58.4 | Low | 58.5 | Low | 138 Ų | 138 | 122.3 Ų | 122.3 | 72% | 0.723 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.4 | -32.9 | 175 | -75.6 | 166.6 | 0 | 0 | 0 | 112.8 | E72 | E72-L76 WeakPolarHBondContact O-CB 3.39Å; E72-L76 VanDerWaalsContact O-CG 3.28Å; E72-L76 WeakPolarHBondContact O-CG 3.41Å; E72-L76 PolarHBondContact O-N 2.98Å |
| 77 | K | 61.5 | Low | 56.2 | Low | 153 Ų | 153 | 121.8 Ų | 121.8 | 67% | 0.665 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -8 | 177.5 | -69.8 | 165.8 | -171.2 | 155.6 | 0 | 113.7 | E73 R74 W75 | E73-K77 WeakPolarHBondContact O-CB 3.49Å; E73-K77 VanDerWaalsContact O-CD 3.3Å; E73-K77 WeakPolarHBondContact O-CD 3.43Å; E73-K77 VanDerWaalsContact O-CG 3.23Å; E73-K77 WeakPolarHBondContact O-CG 3.24Å; E73-K77 PolarHBondContact O-N 3.38Å; E73-K77 IonicContact OE2-NZ 3.85Å; E73-K77 PolarHBondContact OE2-NZ 2.83Å; R74-K77 PolarHBondContact O-N 2.85Å; W75-K77 VanDerWaalsContact C-N 3.29Å; W75-K77 PolarHBondContact O-N 2.8Å |
| 78 | L | 53.7 | Low | 54.3 | Low | 121 Ų | 121 | 122 Ų | 122 | 63% | 0.634 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 5.7 | -178.4 | -72.1 | 172 | 0 | 0 | 0 | 114.2 | R74 W75 P80 | R74-L78 HydrophobicContact CG-CD1 4.02Å; R74-L78 WeakPolarHBondContact O-CB 3.33Å; R74-L78 WeakPolarHBondContact O-CD1 3.4Å; R74-L78 VanDerWaalsContact O-CG 3.24Å; R74-L78 WeakPolarHBondContact O-CG 3.4Å; R74-L78 PolarHBondContact O-N 2.85Å; W75-L78 PolarHBondContact O-N 2.74Å; L78-P80 VanDerWaalsContact C-CD 3.44Å; L78-P80 WeakPolarHBondContact O-CD 3.42Å |
| 79 | S | 43.2 | Very low | 52.1 | Low | 92 Ų | 92 | 123 Ų | 123 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | trans | -98.6 | 91 | 170.2 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | S81 | S79-S81 PolarHBondContact O-N 2.78Å; S79-S81 VanDerWaalsContact O-N 3.12Å | ||
| 80 | P | 46.2 | Very low | 50.3 | Low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | trans | -73.5 | 96.9 | 161.7 | 28.8 | -29 | 0 | 0 | 0 | 108.2 | L78 | L78-P80 VanDerWaalsContact C-CD 3.44Å; L78-P80 WeakPolarHBondContact O-CD 3.42Å | ||
| 81 | S | 41.3 | Very low | 48.6 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | trans | -62 | 125.2 | 164.1 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | S79 S83 | S79-S81 PolarHBondContact O-N 2.78Å; S79-S81 VanDerWaalsContact O-N 3.12Å; S81-S83 PolarHBondContact O-N 3.33Å | ||
| 82 | P | 46.3 | Very low | 47.2 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | trans | -86.3 | 94.5 | 177.4 | 33.6 | -27.9 | 0 | 0 | 0 | 108.5 | ||||
| 83 | S | 37.5 | Very low | 45.9 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | -112.8 | 105.8 | 159.6 | -173 | 0 | 0 | 0 | 0 | 108.9 | S81 H85 | S81-S83 PolarHBondContact O-N 3.33Å; S83-H85 PolarHBondContact O-N 2.98Å | ||
| 84 | S | 41.9 | Very low | 44.8 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -47.2 | 121.2 | 168.5 | 47 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 85 | H | 37.6 | Very low | 44 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 87% | 0.87 | 76% | 0.763 | S | S | * | * | -152.6 | 118.1 | 127 | -107.1 | -75.6 | 0 | 0 | 0 | 110 | S83 | S83-H85 PolarHBondContact O-N 2.98Š| |||
| 86 | V | 37.4 | Very low | 43.3 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | trans | -67.3 | 122.3 | 169.1 | 165.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 87 | T | 39.7 | Very low | 42.3 | Very low | 141 Ų | 141 | 130 Ų | 130 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | trans | -142.4 | 122.8 | 137.7 | 45.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 88 | V | 46.4 | Very low | 41.6 | Very low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | -78.6 | 131.2 | 177 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 89 | S | 37.5 | Very low | 40.9 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -157.3 | 127.5 | 142.6 | -83.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 90 | R | 41.3 | Very low | 41.1 | Very low | 238 Ų | 238 | 135.2 Ų | 135.2 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -84.9 | 137 | -179.8 | -61.7 | 163.7 | 160.7 | 165.5 | -7.2 | 109 | ||||
| 91 | A | 34 | Very low | 40.6 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | -175.6 | 146.8 | 128.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 92 | S | 39.5 | Very low | 41.1 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -72.6 | 168.1 | -164.5 | -45.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 93 | S | 38.8 | Very low | 40.6 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 91.1 | 106.1 | 144.5 | 74.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 94 | S | 37.6 | Very low | 40.9 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | 178.6 | 115.4 | 100.9 | -82.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 95 | S | 48.7 | Very low | 41 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -51.4 | 122.8 | 162.2 | 36.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 96 | R | 40.9 | Very low | 41 | Very low | 231 Ų | 231 | 148.8 Ų | 148.8 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -149.4 | 96.9 | 156.6 | -64.7 | -171.2 | 175.5 | 143.7 | -1.1 | 108.1 | ||||
| 97 | S | 37 | Very low | 41.2 | Very low | 106 Ų | 106 | 154.2 Ų | 154.2 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | 80.3 | 105.7 | 93.3 | -165.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 98 | V | 47.1 | Very low | 41.4 | Very low | 131 Ų | 131 | 154.1 Ų | 154.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -62.7 | 124.7 | 165.2 | 176.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 99 | R | 37.9 | Very low | 40.9 | Very low | 212 Ų | 212 | 155.6 Ų | 155.6 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | -137.3 | 108.5 | 156.3 | -65.3 | -170.6 | 94.1 | -169.2 | 6 | 109.9 | ||||
| 100 | T | 48.5 | Very low | 41.3 | Very low | 133 Ų | 133 | 154.6 Ų | 154.6 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | -64.2 | 118.6 | 154.5 | 49.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 101 | T | 35.7 | Very low | 41.5 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -140 | 124.5 | 162.8 | 50.5 | 0 | 0 | 0 | 0 | 109.4 | G103 | T101-G103 PolarHBondContact O-N 2.96Å; T101-G103 VanDerWaalsContact O-N 3.14Å | ||
| 102 | Q | 50.9 | Low | 41.7 | Very low | 204 Ų | 204 | 151.9 Ų | 151.9 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | trans | -38.3 | 109 | 176 | -71.3 | 167.4 | -55 | 0 | 0 | 112.8 | ||||
| 103 | G | 37 | Very low | 41.7 | Very low | 69 Ų | 69 | 154.3 Ų | 154.3 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -81.9 | 110 | 159 | 0 | 0 | 0 | 0 | 0 | 108.6 | T101 R105 | T101-G103 PolarHBondContact O-N 2.96Å; T101-G103 VanDerWaalsContact O-N 3.14Å; G103-R105 PolarHBondContact O-N 3.06Å | ||
| 104 | K | 42.4 | Very low | 42 | Very low | 208 Ų | 208 | 155 Ų | 155 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -49.1 | 107.6 | 166.8 | -83.5 | 172.6 | 167.8 | 177.4 | 0 | 108.6 | K106 | K104-K106 PolarHBondContact O-N 3.1Š| ||
| 105 | R | 44.1 | Very low | 42 | Very low | 242 Ų | 242 | 154.3 Ų | 154.3 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -63 | 103.4 | 163.3 | -76.9 | -179.6 | 168.9 | 172.6 | -4.1 | 106.4 | G103 R107 | G103-R105 PolarHBondContact O-N 3.06Å; R105-R107 VanDerWaalsContact C-N 3.33Å; R105-R107 PolarHBondContact O-N 3.4Å | ||
| 106 | K | 39.1 | Very low | 42 | Very low | 187 Ų | 187 | 153 Ų | 153 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -62.5 | 101.2 | 163.9 | -171.9 | 178.5 | 179 | -173.9 | 0 | 105.3 | K104 I108 | K104-K106 PolarHBondContact O-N 3.1Å; K106-I108 PolarHBondContact O-N 3.39Å | ||
| 107 | R | 41.4 | Very low | 42.6 | Very low | 238 Ų | 238 | 145.3 Ų | 145.3 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | trans | -52.6 | 110 | 161.5 | -102 | -179.9 | 168.7 | 172.1 | -6.1 | 104.9 | R105 D109 | R105-R107 VanDerWaalsContact C-N 3.33Å; R105-R107 PolarHBondContact O-N 3.4Å; R107-D109 VanDerWaalsContact C-N 3.31Å; R107-D109 PolarHBondContact O-N 3.17Å | ||
| 108 | I | 42.6 | Very low | 43.9 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | trans | -77.4 | 102.3 | 161.2 | -62.6 | 164.4 | 0 | 0 | 0 | 102 | K106 V110 | K106-I108 PolarHBondContact O-N 3.39Å; I108-V110 HydrophobicContact CG2-CG2 4.27Å; I108-V110 PolarHBondContact O-N 3.46Å; I108-V110 VanDerWaalsContact O-N 3.14Å | ||
| 109 | D | 37 | Very low | 45 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | trans | -65.3 | 102.3 | 166.8 | -157.3 | 22.9 | 0 | 0 | 0 | 104.9 | R107 E111 | R107-D109 VanDerWaalsContact C-N 3.31Å; R107-D109 PolarHBondContact O-N 3.17Å; D109-E111 VanDerWaalsContact C-N 3.26Å; D109-E111 PolarHBondContact O-N 2.89Å | ||
| 110 | V | 45.7 | Very low | 47.2 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 62% | 0.618 | 70% | 0.699 | S | S | * | * | trans | -80.6 | 95.1 | 166.6 | -175.2 | 0 | 0 | 0 | 0 | 102.8 | I108 E112 | I108-V110 HydrophobicContact CG2-CG2 4.27Å; I108-V110 PolarHBondContact O-N 3.46Å; I108-V110 VanDerWaalsContact O-N 3.14Å; V110-E112 HydrophobicContact CG1-CG 3.73Å; V110-E112 PolarHBondContact O-N 3.33Å | ||
| 111 | E | 45.8 | Very low | 49.1 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 70% | 0.696 | 68% | 0.677 | S | S | * | * | trans | -64.6 | 83.5 | 164.1 | -167.3 | 179.8 | 143.6 | 0 | 0 | 105.7 | D109 Q113 | D109-E111 VanDerWaalsContact C-N 3.26Å; D109-E111 PolarHBondContact O-N 2.89Å; E111-Q113 PolarHBondContact O-N 3.21Å | ||
| 112 | E | 37.3 | Very low | 51.6 | Low | 137 Ų | 137 | 127.1 Ų | 127.1 | 64% | 0.64 | 66% | 0.66 | S | S | * | * | trans | -66.9 | 93.7 | 165.9 | -72.7 | -174.3 | 141.3 | 0 | 0 | 105.6 | V110 E114 | V110-E112 HydrophobicContact CG1-CG 3.73Å; V110-E112 PolarHBondContact O-N 3.33Å; E112-E114 PolarHBondContact O-N 2.96Å | ||
| 113 | Q | 39.4 | Very low | 53.5 | Low | 163 Ų | 163 | 121.6 Ų | 121.6 | 76% | 0.762 | 64% | 0.635 | S | S | * | * | trans | -64.6 | 85.5 | 160.7 | -72.5 | -173.9 | -28.5 | 0 | 0 | 107.2 | E111 A115 | E111-Q113 PolarHBondContact O-N 3.21Å; Q113-A115 PolarHBondContact O-N 3.44Å | ||
| 114 | E | 44.8 | Very low | 56.2 | Low | 124 Ų | 124 | 121.9 Ų | 121.9 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | trans | -70.8 | 80.4 | 159.2 | -70.7 | -163 | 147 | 0 | 0 | 107.7 | E112 S116 | E112-E114 PolarHBondContact O-N 2.96Å; E114-S116 PolarHBondContact O-N 2.95Å | ||
| 115 | A | 39.3 | Very low | 58.7 | Low | 87 Ų | 87 | 115.2 Ų | 115.2 | 72% | 0.719 | 61% | 0.61 | S | S | * | * | trans | -70.7 | 81.9 | 155 | 0 | 0 | 0 | 0 | 0 | 106.6 | Q113 S117 | Q113-A115 PolarHBondContact O-N 3.44Å; A115-S117 PolarHBondContact O-N 3.45Å | ||
| 116 | S | 48.2 | Very low | 61.1 | Low | 93 Ų | 93 | 106.9 Ų | 106.9 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | trans | -75.2 | 66.3 | 172.5 | -151.1 | 0 | 0 | 0 | 0 | 108.6 | E114 S118 | E114-S116 PolarHBondContact O-N 2.95Å; S116-S118 PolarHBondContact O-N 2.79Å | ||
| 117 | S | 53 | Low | 63.9 | Low | 69 Ų | 69 | 100.4 Ų | 100.4 | 48% | 0.483 | 57% | 0.569 | S | S | . | * | trans | -58.9 | 113.4 | 165.7 | 66.4 | 0 | 0 | 0 | 0 | 106.8 | A115 V119 | A115-S117 PolarHBondContact O-N 3.45Å; S117-V119 PolarHBondContact O-N 3.09Å | ||
| 118 | S | 64 | Low | 66.4 | Low | 63 Ų | 63 | 95 Ų | 95 | 44% | 0.441 | 56% | 0.564 | S | S | . | * | trans | -74.3 | 83.8 | 180 | 47.8 | 0 | 0 | 0 | 0 | 108.9 | S116 S120 A238 | S116-S118 PolarHBondContact O-N 2.79Å; S118-S120 PolarHBondContact O-N 3.44Å; S118-A238 WeakPolarHBondContact O-CB 2.98Å; S118-A238 PolarHBondContact O-N 2.83Å; S118-A238 VanDerWaalsContact O-N 3.14Å; S118-A238 WeakPolarHBondContact OG-CB 3.33Å | ||
| 119 | V | 71.6 | Confident | 68.7 | Low | 73 Ų | 73 | 90 Ų | 90 | 44% | 0.442 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 116.7 | 171.7 | 63.1 | 0 | 0 | 0 | 0 | 108.9 | S117 Y235 K236 | S117-V119 PolarHBondContact O-N 3.09Å; V119-Y235 HydrophobicContact CG2-CD1 4.17Å; V119-K236 CarbonylContact C-O 3.6Å; V119-K236 WeakPolarHBondContact CA-O 3.48Å |
| 120 | S | 83.1 | Confident | 71.4 | Confident | 64 Ų | 64 | 85.7 Ų | 85.7 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.2 | 172.5 | 63 | 0 | 0 | 0 | 0 | 110.4 | S118 K236 | S118-S120 PolarHBondContact O-N 3.44Å; S120-K236 PolarHBondContact N-O 3Å; S120-K236 PolarHBondContact O-N 2.98Å; S120-K236 WeakPolarHBondContact OG-CB 3.38Å; S120-K236 PolarHBondContact OG-O 2.86Å |
| 121 | I | 88.3 | Confident | 73.9 | Confident | 72 Ų | 72 | 81 Ų | 81 | 37% | 0.369 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.8 | -178.1 | -53.1 | 176.9 | 0 | 0 | 0 | 108.3 | T138 T233 K234 Y235 | I121-T138 HydrophobicContact CD1-CG2 3.91Å; I121-T233 HydrophobicContact CG2-CG2 3.64Å; I121-K234 WeakPolarHBondContact CA-O 3.43Å; I121-Y235 HydrophobicContact CD1-CD1 4.1Å; I121-Y235 HydrophobicContact CD1-CE1 3.66Å; I121-Y235 HydrophobicContact CG1-CD1 3.76Å; I121-Y235 HydrophobicContact CG1-CE1 3.82Å; I121-Y235 HydrophobicContact CG2-CE1 4.33Å |
| 122 | A | 88.3 | Confident | 76.4 | Confident | 42 Ų | 42 | 75.5 Ų | 75.5 | 35% | 0.347 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T233 K234 | A122-T233 WeakPolarHBondContact O-CA 3.46Å; A122-K234 PolarHBondContact N-O 2.87Å; A122-K234 PolarHBondContact O-N 3.03Å |
| 123 | H | 91.6 | Very high | 79.2 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 41% | 0.407 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 143.7 | 175.4 | -58.9 | -74 | 0 | 0 | 0 | 111.3 | I232 T233 | H123-I232 CarbonylContact C-O 3.59Å; H123-I232 WeakPolarHBondContact CA-O 3.36Å; H123-T233 PolarHBondContact CE1-OG1 3.31Å; H123-T233 PolarHBondContact ND1-OG1 2.92Å |
| 124 | S | 92.2 | Very high | 82 | Confident | 76 Ų | 76 | 63.3 Ų | 63.3 | 53% | 0.531 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 131 | 171.6 | -61.3 | 0 | 0 | 0 | 0 | 108.9 | R231 I232 | S124-R231 CarbonylContact O-C 3.56Å; S124-R231 VanDerWaalsContact O-CA 3.22Å; S124-R231 WeakPolarHBondContact O-CA 3.31Å; S124-I232 PolarHBondContact N-O 3.01Å; S124-I232 PolarHBondContact O-N 2.89Å |
| 125 | A | 95.7 | Very high | 84.4 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 56% | 0.562 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K230 R231 | A125-K230 CarbonylContact C-O 3.57Å; A125-K230 VanDerWaalsContact CA-O 3.25Å; A125-K230 WeakPolarHBondContact CA-O 3.44Å; A125-R231 HydrophobicContact CB-CB 4.23Å; A125-R231 HydrophobicContact CB-CG 4.07Å |
| 126 | S | 95.4 | Very high | 87 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 46% | 0.462 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 148.2 | 175.1 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | A229 K230 | S126-A229 CarbonylContact O-C 3.57Å; S126-A229 VanDerWaalsContact O-CA 3.23Å; S126-A229 WeakPolarHBondContact O-CA 3.36Å; S126-K230 PolarHBondContact N-O 3.23Å; S126-K230 PolarHBondContact O-N 2.85Å |
| 127 | A | 96.4 | Very high | 89.2 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 135.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | C132 V228 A229 | A127-C132 HydrophobicContact CB-CB 3.82Å; A127-V228 CarbonylContact C-O 3.53Å; A127-V228 WeakPolarHBondContact CA-O 3.17Å; A127-A229 HydrophobicContact CB-CB 4.12Å |
| 128 | T | 94.4 | Very high | 90.8 | Very high | 126 Ų | 126 | 53.5 Ų | 53.5 | 77% | 0.773 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -97.3 | -26.7 | 175.9 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | V228 | T128-V228 PolarHBondContact N-O 3.27Š|
| 129 | G | 90.5 | Very high | 91.9 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -114.3 | -169.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I131 | G129-I131 PolarHBondContact O-N 2.84Š|
| 130 | P | 94.8 | Very high | 92.9 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 34% | 0.344 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -70.8 | -20.1 | -178.1 | 29.4 | -35.6 | 0 | 0 | 0 | 113 | N148 | P130-N148 PolarHBondContact O-N 3.46Š|
| 131 | I | 97.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 127.2 | 179.8 | -50.1 | -48.5 | 0 | 0 | 0 | 109.8 | G129 L145 L146 N147 Q153 M155 L179 L220 A229 | G129-I131 PolarHBondContact O-N 2.84Å; I131-L145 HydrophobicContact CG2-CB 4.29Å; I131-L145 HydrophobicContact CG2-CD1 4.46Å; I131-L146 WeakPolarHBondContact CA-O 3.14Å; I131-N147 HydrophobicContact CD1-CB 3.44Å; I131-N147 VanDerWaalsContact CD1-CB 3.44Å; I131-N147 VanDerWaalsContact CD1-CG 3.49Å; I131-Q153 HydrophobicContact CD1-CB 3.77Å; I131-Q153 HydrophobicContact CD1-CG 3.9Å; I131-Q153 HydrophobicContact CG1-CB 4.29Å; I131-Q153 HydrophobicContact CG1-CG 3.83Å; I131-M155 HydrophobicContact CG1-SD 4.11Å; I131-M155 HydrophobicContact CG2-CE 4.45Å; I131-L179 HydrophobicContact CD1-CD2 3.94Å; I131-L179 HydrophobicContact CG2-CD2 4.44Å; I131-L220 HydrophobicContact CB-CD2 3.88Å; I131-L220 HydrophobicContact CG2-CD2 3.47Å; I131-L220 VanDerWaalsContact CG2-CD2 3.47Å; I131-A229 WeakPolarHBondContact O-CB 3.12Å |
| 132 | C | 97.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 22% | 0.216 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 156.4 | 171.4 | 65 | 0 | 0 | 0 | 0 | 111.6 | A127 D134 L145 L146 | A127-C132 HydrophobicContact CB-CB 3.82Å; C132-D134 PolarHBondContact O-N 3.36Å; C132-L145 WeakPolarHBondContact O-CA 3.44Å; C132-L146 PolarHBondContact N-O 3.21Å; C132-L146 PolarHBondContact O-N 2.85Å |
| 133 | I | 98 | Very high | 94.2 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 101.7 | 170.6 | -50.2 | -177.4 | 0 | 0 | 0 | 107.1 | I136 V143 L145 M218 A229 R231 | I133-I136 HydrophobicContact CG2-CG1 4.23Å; I133-V143 HydrophobicContact CG2-CG2 3.66Å; I133-L145 HydrophobicContact CB-CD2 4.08Å; I133-L145 HydrophobicContact CG1-CD2 3.68Å; I133-L145 HydrophobicContact CG2-CD2 4.15Å; I133-M218 HydrophobicContact CD1-CB 3.62Å; I133-M218 WeakPolarHBondContact CD1-O 3.5Å; I133-M218 HydrophobicContact CG2-CB 4.33Å; I133-A229 HydrophobicContact CG1-CB 4.14Å; I133-R231 HydrophobicContact CB-CB 3.78Å; I133-R231 HydrophobicContact CD1-CB 4.36Å; I133-R231 HydrophobicContact CG2-CB 3.79Å; I133-R231 VanDerWaalsContact O-CD 3.29Å; I133-R231 WeakPolarHBondContact O-CD 3.21Å; I133-R231 PolarHBondContact O-NH1 3.2Å |
| 134 | D | 97.1 | Very high | 94.5 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 22% | 0.219 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -34.3 | -169.7 | -175.6 | 59 | 0 | 0 | 0 | 112.7 | C132 C144 L146 K184 R231 | C132-D134 PolarHBondContact O-N 3.36Å; D134-C144 PolarHBondContact N-O 2.81Å; D134-L146 HydrophobicContact CB-CB 3.79Å; D134-K184 IonicContact OD1-NZ 3.84Å; D134-K184 WeakPolarHBondContact OD2-CE 3.42Å; D134-K184 IonicContact OD2-NZ 2.66Å; D134-K184 PolarHBondContact OD2-NZ 3.03Å; D134-R231 PolarHBondContact O-NH1 3.3Å; D134-R231 PolarHBondContact O-NH2 3.27Å |
| 135 | E | 95.1 | Very high | 94.8 | Very high | 89 Ų | 89 | 40.1 Ų | 40.1 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 145 | -178.3 | -164.1 | 174.8 | 168.4 | 0 | 0 | 111.6 | F142 V143 C144 | E135-F142 HydrophobicContact CG-CE2 4.42Å; E135-V143 WeakPolarHBondContact O-CA 3.46Å; E135-V143 WeakPolarHBondContact O-CG2 3.23Å; E135-C144 HydrophobicContact CB-CB 3.93Å; E135-C144 PolarHBondContact N-O 3.43Å; E135-C144 PolarHBondContact O-N 3.28Å |
| 136 | I | 94.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.2 | 166.6 | -61.6 | 171.1 | 0 | 0 | 0 | 105.4 | I133 V143 W210 V216 M218 R231 | I133-I136 HydrophobicContact CG2-CG1 4.23Å; I136-V143 HydrophobicContact CG1-CG2 4.16Å; I136-W210 HydrophobicContact CG2-CZ2 4.23Å; I136-V216 HydrophobicContact CG2-CG1 4.33Å; I136-M218 HydrophobicContact CD1-CB 3.94Å; I136-M218 HydrophobicContact CD1-CG 3.43Å; I136-M218 VanDerWaalsContact CD1-CG 3.43Å; I136-M218 HydrophobicContact CG1-CB 4.49Å; I136-M218 HydrophobicContact CG1-CG 3.81Å; I136-M218 HydrophobicContact CG2-CE 4.41Å; I136-R231 HydrophobicContact CD1-CB 3.9Å; I136-R231 HydrophobicContact CD1-CG 3.72Å; I136-R231 HydrophobicContact CG1-CG 4.27Å |
| 137 | D | 92.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 35 Ų | 35 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | trans | -63.4 | 134.7 | 178.5 | -177.2 | 47.6 | 0 | 0 | 0 | 111.2 | D139 G140 K141 F142 | D137-D139 VanDerWaalsContact C-N 3.27Å; D137-D139 PolarHBondContact O-N 2.83Å; D137-D139 WeakPolarHBondContact OD2-CB 3.38Å; D137-D139 PolarHBondContact OD2-N 3.08Å; D137-G140 PolarHBondContact O-N 2.79Å; D137-G140 VanDerWaalsContact O-N 3.09Å; D137-G140 PolarHBondContact OD2-N 2.86Å; D137-K141 WeakPolarHBondContact OD2-CA 3.33Å; D137-K141 WeakPolarHBondContact OD2-CB 3.35Å; D137-K141 WeakPolarHBondContact OD2-CG 3.45Å; D137-K141 PolarHBondContact OD2-N 2.79Å; D137-F142 HydrophobicContact CB-CD1 3.56Å; D137-F142 HydrophobicContact CB-CD2 4.23Å; D137-F142 HydrophobicContact CB-CE1 3.55Å; D137-F142 HydrophobicContact CB-CE2 4.22Å; D137-F142 HydrophobicContact CB-CG 3.91Å; D137-F142 HydrophobicContact CB-CZ 3.89Å; D137-F142 VanDerWaalsContact CB-O 3.29Å; D137-F142 WeakPolarHBondContact CB-O 3.43Å; D137-F142 PolarHBondContact N-O 3.48Å; D137-F142 WeakPolarHBondContact OD1-CE1 3.29Å | ||
| 138 | T | 87.6 | Confident | 95.1 | Very high | 53 Ų | 53 | 38.6 Ų | 38.6 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -26.6 | -179.5 | 50 | 0 | 0 | 0 | 0 | 112.4 | I121 G140 S212 Y235 | I121-T138 HydrophobicContact CD1-CG2 3.91Å; T138-G140 PolarHBondContact O-N 2.86Å; T138-S212 WeakPolarHBondContact O-CA 3.36Å; T138-Y235 VanDerWaalsContact CA-OH 3.31Å; T138-Y235 WeakPolarHBondContact CA-OH 3.37Å; T138-Y235 PolarHBondContact O-OH 3.42Å |
| 139 | D | 87.9 | Confident | 95.1 | Very high | 80 Ų | 80 | 33.5 Ų | 33.5 | 43% | 0.428 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -0.4 | 174 | -65.3 | -5.1 | 0 | 0 | 0 | 112.5 | D137 K141 | D137-D139 VanDerWaalsContact C-N 3.27Å; D137-D139 PolarHBondContact O-N 2.83Å; D137-D139 WeakPolarHBondContact OD2-CB 3.38Å; D137-D139 PolarHBondContact OD2-N 3.08Å; D139-K141 VanDerWaalsContact C-N 3.35Å; D139-K141 HydrophobicContact CB-CD 4.35Å; D139-K141 HydrophobicContact CB-CG 4.04Å; D139-K141 PolarHBondContact O-N 2.81Å; D139-K141 WeakPolarHBondContact OD2-CE 3.41Å; D139-K141 IonicContact OD2-NZ 2.6Å |
| 140 | G | 91.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 65.9 | 30.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D137 T138 S209 W210 | D137-G140 PolarHBondContact O-N 2.79Å; D137-G140 VanDerWaalsContact O-N 3.09Å; D137-G140 PolarHBondContact OD2-N 2.86Å; T138-G140 PolarHBondContact O-N 2.86Å; G140-S209 VanDerWaalsContact O-CA 3.24Å; G140-S209 WeakPolarHBondContact O-CA 3.35Å; G140-S209 WeakPolarHBondContact O-CB 3.46Å; G140-W210 WeakPolarHBondContact O-CZ3 3.41Å; G140-W210 PolarHBondContact O-N 2.65Å |
| 141 | K | 94.2 | Very high | 95.5 | Very high | 81 Ų | 81 | 45 Ų | 45 | 35% | 0.352 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -91.4 | -25.8 | 179.4 | -53.4 | -176.3 | -153.7 | -55.2 | 0 | 113.2 | D137 D139 A189 A192 | D137-K141 WeakPolarHBondContact OD2-CA 3.33Å; D137-K141 WeakPolarHBondContact OD2-CB 3.35Å; D137-K141 WeakPolarHBondContact OD2-CG 3.45Å; D137-K141 PolarHBondContact OD2-N 2.79Å; D139-K141 VanDerWaalsContact C-N 3.35Å; D139-K141 HydrophobicContact CB-CD 4.35Å; D139-K141 HydrophobicContact CB-CG 4.04Å; D139-K141 PolarHBondContact O-N 2.81Å; D139-K141 WeakPolarHBondContact OD2-CE 3.41Å; D139-K141 IonicContact OD2-NZ 2.6Å; K141-A189 WeakPolarHBondContact O-CB 3.39Å; K141-A189 PolarHBondContact O-N 3.24Å; K141-A192 HydrophobicContact CB-CB 4.18Å |
| 142 | F | 96.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 13% | 0.132 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 165.7 | -178.8 | 70.7 | -92.6 | 0 | 0 | 0 | 114.2 | E135 D137 T186 I187 W188 | E135-F142 HydrophobicContact CG-CE2 4.42Å; D137-F142 HydrophobicContact CB-CD1 3.56Å; D137-F142 HydrophobicContact CB-CD2 4.23Å; D137-F142 HydrophobicContact CB-CE1 3.55Å; D137-F142 HydrophobicContact CB-CE2 4.22Å; D137-F142 HydrophobicContact CB-CG 3.91Å; D137-F142 HydrophobicContact CB-CZ 3.89Å; D137-F142 VanDerWaalsContact CB-O 3.29Å; D137-F142 WeakPolarHBondContact CB-O 3.43Å; D137-F142 PolarHBondContact N-O 3.48Å; D137-F142 WeakPolarHBondContact OD1-CE1 3.29Å; F142-T186 HydrophobicContact CB-CG2 3.66Å; F142-T186 HydrophobicContact CD2-CG2 3.55Å; F142-T186 HydrophobicContact CE2-CG2 4.42Å; F142-T186 HydrophobicContact CG-CG2 3.75Å; F142-I187 VanDerWaalsContact CA-O 3.27Å; F142-I187 WeakPolarHBondContact CA-O 3.49Å; F142-I187 WeakPolarHBondContact CB-O 3.31Å; F142-W188 HydrophobicContact CB-CD2 3.95Å; F142-W188 HydrophobicContact CB-CE3 3.68Å; F142-W188 HydrophobicContact CB-CG 4.45Å; F142-W188 HydrophobicContact CB-CZ3 4.04Å; F142-W188 AromaticContact CD1-CE3 3.99Å; F142-W188 HydrophobicContact CD1-CE3 3.99Å; F142-W188 AromaticContact CD1-CH2 3.8Å; F142-W188 HydrophobicContact CD1-CH2 3.8Å; F142-W188 AromaticContact CD1-CZ3 3.44Å; F142-W188 HydrophobicContact CD1-CZ3 3.44Å; F142-W188 VanDerWaalsContact CD1-CZ3 3.44Å; F142-W188 HydrophobicContact CE1-CH2 4.27Å; F142-W188 HydrophobicContact CE1-CZ3 4.23Å; F142-W188 HydrophobicContact CG-CE3 4.17Å; F142-W188 HydrophobicContact CG-CH2 4.28Å; F142-W188 HydrophobicContact CG-CZ3 4.01Å |
| 143 | V | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.4 | 167.5 | 57.3 | 0 | 0 | 0 | 0 | 108.9 | I133 E135 I136 M160 I187 M218 | I133-V143 HydrophobicContact CG2-CG2 3.66Å; E135-V143 WeakPolarHBondContact O-CA 3.46Å; E135-V143 WeakPolarHBondContact O-CG2 3.23Å; I136-V143 HydrophobicContact CG1-CG2 4.16Å; V143-M160 HydrophobicContact CG1-CE 3.34Å; V143-M160 HydrophobicContact CG1-SD 3.55Å; V143-M160 VanDerWaalsContact CG1-SD 3.55Å; V143-M160 HydrophobicContact CG2-SD 4.19Å; V143-I187 HydrophobicContact CG1-CB 3.98Å; V143-I187 HydrophobicContact CG1-CD1 4.35Å; V143-I187 PolarHBondContact N-O 2.98Å; V143-I187 PolarHBondContact O-N 2.98Å; V143-M218 HydrophobicContact CB-CE 4.28Å; V143-M218 HydrophobicContact CG2-CG 4.13Å |
| 144 | C | 97.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.034 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.3 | -179.6 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | D134 E135 V185 | D134-C144 PolarHBondContact N-O 2.81Å; E135-C144 HydrophobicContact CB-CB 3.93Å; E135-C144 PolarHBondContact N-O 3.43Å; E135-C144 PolarHBondContact O-N 3.28Å; C144-V185 CarbonylContact C-O 3.53Å; C144-V185 WeakPolarHBondContact CA-O 3Å |
| 145 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 145.8 | 170 | -53.2 | -176.7 | 0 | 0 | 0 | 109.6 | I131 C132 I133 M160 F173 L179 K184 V185 I187 L220 | I131-L145 HydrophobicContact CG2-CB 4.29Å; I131-L145 HydrophobicContact CG2-CD1 4.46Å; C132-L145 WeakPolarHBondContact O-CA 3.44Å; I133-L145 HydrophobicContact CB-CD2 4.08Å; I133-L145 HydrophobicContact CG1-CD2 3.68Å; I133-L145 HydrophobicContact CG2-CD2 4.15Å; L145-M160 HydrophobicContact CD2-SD 4.41Å; L145-F173 HydrophobicContact CD1-CE1 4.32Å; L145-F173 HydrophobicContact CD1-CE2 4.34Å; L145-F173 HydrophobicContact CD1-CZ 3.52Å; L145-L179 HydrophobicContact CB-CD2 4.48Å; L145-K184 CarbonylContact O-C 3.49Å; L145-K184 WeakPolarHBondContact O-CA 3.43Å; L145-V185 HydrophobicContact CB-CG1 3.82Å; L145-V185 HydrophobicContact CD1-CG1 4.42Å; L145-V185 HydrophobicContact CG-CG1 4.39Å; L145-V185 PolarHBondContact N-O 3.3Å; L145-V185 PolarHBondContact O-N 2.89Å; L145-I187 HydrophobicContact CD1-CD1 4.06Å; L145-I187 HydrophobicContact CG-CD1 4.21Å; L145-L220 HydrophobicContact CD1-CD1 4.42Å |
| 146 | L | 98.2 | Very high | 95.6 | Very high | 27 Ų | 27 | 49.2 Ų | 49.2 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.4 | 174.5 | 170.2 | 66.6 | 0 | 0 | 0 | 108.8 | I131 C132 D134 N148 K184 | I131-L146 WeakPolarHBondContact CA-O 3.14Å; C132-L146 PolarHBondContact N-O 3.21Å; C132-L146 PolarHBondContact O-N 2.85Å; D134-L146 HydrophobicContact CB-CB 3.79Å; L146-N148 HydrophobicContact CD2-CB 4.36Å; L146-N148 HydrophobicContact CG-CB 4.39Å; L146-K184 HydrophobicContact CB-CG 4.15Å; L146-K184 HydrophobicContact CD1-CG 3.64Å; L146-K184 HydrophobicContact CG-CG 4.47Å |
| 147 | N | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 104.6 | 161.5 | -176.5 | -2.5 | 0 | 0 | 0 | 108.6 | I131 G149 E151 L179 K180 G182 H183 | I131-N147 HydrophobicContact CD1-CB 3.44Å; I131-N147 VanDerWaalsContact CD1-CB 3.44Å; I131-N147 VanDerWaalsContact CD1-CG 3.49Å; N147-G149 VanDerWaalsContact C-N 3.34Å; N147-G149 WeakPolarHBondContact OD1-CA 3.5Å; N147-G149 PolarHBondContact OD1-N 2.93Å; N147-E151 PolarHBondContact ND2-O 3.3Å; N147-L179 HydrophobicContact CB-CD2 3.84Å; N147-L179 HydrophobicContact CB-CG 3.75Å; N147-L179 PolarHBondContact ND2-O 3.28Å; N147-K180 WeakPolarHBondContact CB-O 2.93Å; N147-K180 PolarHBondContact ND2-O 3.13Å; N147-G182 WeakPolarHBondContact O-CA 3.21Å; N147-G182 PolarHBondContact O-N 3.01Å; N147-H183 PolarHBondContact N-O 2.93Å |
| 148 | N | 96.4 | Very high | 95.9 | Very high | 127 Ų | 127 | 51.2 Ų | 51.2 | 68% | 0.679 | 29% | 0.285 | S | S | * | . | trans | -94.2 | 8.8 | 176.8 | -164.6 | 47.3 | 0 | 0 | 0 | 112.5 | P130 L146 | P130-N148 PolarHBondContact O-N 3.46Å; L146-N148 HydrophobicContact CD2-CB 4.36Å; L146-N148 HydrophobicContact CG-CB 4.39Å | ||
| 149 | G | 94.8 | Very high | 96.4 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -88.2 | 170.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N147 A181 | N147-G149 VanDerWaalsContact C-N 3.34Å; N147-G149 WeakPolarHBondContact OD1-CA 3.5Å; N147-G149 PolarHBondContact OD1-N 2.93Å; G149-A181 WeakPolarHBondContact O-CB 3.27Å |
| 150 | D | 96.8 | Very high | 96.8 | Very high | 165 Ų | 165 | 47.4 Ų | 47.4 | 88% | 0.882 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -88.9 | -5.7 | -179.7 | -58.8 | -41 | 0 | 0 | 0 | 113.3 | A181 | D150-A181 VanDerWaalsContact C-CB 3.5Å; D150-A181 WeakPolarHBondContact O-CB 3.38Å |
| 151 | E | 97.8 | Very high | 97.1 | Very high | 162 Ų | 162 | 48.4 Ų | 48.4 | 76% | 0.757 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -118.9 | 150.9 | -178.1 | -64 | -171.2 | 167.2 | 0 | 0 | 112.2 | N147 Q153 | N147-E151 PolarHBondContact ND2-O 3.3Å; E151-Q153 PolarHBondContact O-N 3.27Å |
| 152 | D | 98 | Very high | 97.2 | Very high | 94 Ų | 94 | 44.6 Ų | 44.6 | 50% | 0.503 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -67 | 127 | 174.5 | -75.1 | 0.2 | 0 | 0 | 0 | 110.4 | V178 K180 A181 | D152-V178 HydrophobicContact CB-CG1 3.9Å; D152-K180 WeakPolarHBondContact OD1-CA 3.44Å; D152-K180 WeakPolarHBondContact OD1-CB 3.45Å; D152-A181 PolarHBondContact OD1-N 2.98Å |
| 153 | Q | 97.5 | Very high | 97.1 | Very high | 48 Ų | 48 | 45.7 Ų | 45.7 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 116.2 | -178.6 | -178.1 | 61.7 | 62.3 | 0 | 0 | 110.8 | I131 E151 M155 Y158 V178 L179 | I131-Q153 HydrophobicContact CD1-CB 3.77Å; I131-Q153 HydrophobicContact CD1-CG 3.9Å; I131-Q153 HydrophobicContact CG1-CB 4.29Å; I131-Q153 HydrophobicContact CG1-CG 3.83Å; E151-Q153 PolarHBondContact O-N 3.27Å; Q153-M155 HydrophobicContact CB-SD 4.46Å; Q153-M155 HydrophobicContact CG-SD 3.73Å; Q153-M155 PolarHBondContact O-N 3.46Å; Q153-Y158 PolarHBondContact NE2-OH 3.35Å; Q153-V178 CarbonylContact O-C 3.16Å; Q153-V178 WeakPolarHBondContact O-CA 3.36Å; Q153-L179 PolarHBondContact N-O 2.97Å; Q153-L179 PolarHBondContact O-N 2.77Å |
| 154 | A | 97.6 | Very high | 96.8 | Very high | 45 Ų | 45 | 46.5 Ų | 46.5 | 37% | 0.372 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 126.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V156 Y158 V178 | A154-V156 HydrophobicContact CB-CG1 4.38Å; A154-Y158 WeakPolarHBondContact O-CE2 3.43Å; A154-V178 HydrophobicContact CB-CG2 4.49Å |
| 155 | M | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -97.8 | 12.7 | -178 | -57 | -62.8 | -67.9 | 0 | 0 | 112.6 | I131 Q153 G157 Y158 F173 Y177 L179 L220 | I131-M155 HydrophobicContact CG1-SD 4.11Å; I131-M155 HydrophobicContact CG2-CE 4.45Å; Q153-M155 HydrophobicContact CB-SD 4.46Å; Q153-M155 HydrophobicContact CG-SD 3.73Å; Q153-M155 PolarHBondContact O-N 3.46Å; M155-G157 PolarHBondContact O-N 2.86Å; M155-Y158 HydrophobicContact CB-CD2 4.41Å; M155-Y158 HydrophobicContact CE-CD1 3.9Å; M155-Y158 HydrophobicContact CE-CD2 4.49Å; M155-Y158 HydrophobicContact CE-CG 3.88Å; M155-Y158 WeakPolarHBondContact O-CB 3.47Å; M155-Y158 PolarHBondContact O-N 3.04Å; M155-Y158 VanDerWaalsContact O-N 3.08Å; M155-Y158 HydrophobicContact SD-CD2 4.48Å; M155-Y158 HydrophobicContact SD-CG 4.42Å; M155-F173 HydrophobicContact CB-CB 3.86Å; M155-F173 HydrophobicContact CB-CD1 3.95Å; M155-F173 HydrophobicContact CB-CD2 4.25Å; M155-F173 HydrophobicContact CB-CG 3.74Å; M155-F173 HydrophobicContact CE-CD2 4.17Å; M155-F173 HydrophobicContact CE-CE1 4.37Å; M155-F173 HydrophobicContact CE-CE2 3.86Å; M155-F173 HydrophobicContact CE-CZ 3.99Å; M155-F173 HydrophobicContact CG-CD1 4.38Å; M155-F173 VanDerWaalsContact O-CB 3.29Å; M155-F173 WeakPolarHBondContact O-CB 3.41Å; M155-Y177 HydrophobicContact CB-CD1 3.8Å; M155-Y177 HydrophobicContact CG-CD1 3.63Å; M155-Y177 HydrophobicContact CG-CE1 3.96Å; M155-Y177 PolarHBondContact N-O 3.27Å; M155-L179 HydrophobicContact CG-CB 4.2Å; M155-L179 HydrophobicContact SD-CB 4.45Å; M155-L220 HydrophobicContact CE-CD1 4.2Å; M155-L220 HydrophobicContact CE-CD2 4.2Å | ||
| 156 | V | 96.9 | Very high | 95.4 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 126.4 | 177.2 | 58.8 | 0 | 0 | 0 | 0 | 110.6 | A154 Y158 P175 P223 | A154-V156 HydrophobicContact CB-CG1 4.38Å; V156-Y158 PolarHBondContact O-N 3.21Å; V156-P175 HydrophobicContact CG2-CB 3.93Å; V156-P223 VanDerWaalsContact O-CG 3.24Å; V156-P223 WeakPolarHBondContact O-CG 3.44Å |
| 157 | G | 95.7 | Very high | 95 | Very high | 39 Ų | 39 | 61 Ų | 61 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -2.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | M155 P223 | M155-G157 PolarHBondContact O-N 2.86Å; G157-P223 WeakPolarHBondContact O-CA 3.35Å |
| 158 | Y | 97.7 | Very high | 94.8 | Very high | 29 Ų | 29 | 64 Ų | 64 | 11% | 0.114 | 38% | 0.382 | C | S | . | . | trans | -71.3 | 144.7 | 170 | -76.5 | -107 | 0 | 0 | 0 | 110.2 | Q153 A154 M155 V156 F173 L220 M221 N222 P223 V228 | Q153-Y158 PolarHBondContact NE2-OH 3.35Å; A154-Y158 WeakPolarHBondContact O-CE2 3.43Å; M155-Y158 HydrophobicContact CB-CD2 4.41Å; M155-Y158 HydrophobicContact CE-CD1 3.9Å; M155-Y158 HydrophobicContact CE-CD2 4.49Å; M155-Y158 HydrophobicContact CE-CG 3.88Å; M155-Y158 WeakPolarHBondContact O-CB 3.47Å; M155-Y158 PolarHBondContact O-N 3.04Å; M155-Y158 VanDerWaalsContact O-N 3.08Å; M155-Y158 HydrophobicContact SD-CD2 4.48Å; M155-Y158 HydrophobicContact SD-CG 4.42Å; V156-Y158 PolarHBondContact O-N 3.21Å; Y158-F173 WeakPolarHBondContact O-CD2 3.48Å; Y158-F173 PolarHBondContact O-N 3.33Å; Y158-L220 HydrophobicContact CD1-CD1 4.16Å; Y158-L220 HydrophobicContact CD1-CD2 4.29Å; Y158-L220 HydrophobicContact CD1-CG 4.11Å; Y158-M221 WeakPolarHBondContact CA-O 3.36Å; Y158-M221 WeakPolarHBondContact CD1-O 3.38Å; Y158-N222 HydrophobicContact CD1-CB 4.46Å; Y158-N222 HydrophobicContact CE1-CB 4Å; Y158-P223 HydrophobicContact CD2-CG 4.09Å; Y158-P223 HydrophobicContact CE2-CG 4.21Å; Y158-V228 HydrophobicContact CD1-CG2 4.47Å; Y158-V228 HydrophobicContact CE1-CG2 4.07Å | ||
| 159 | E | 97.8 | Very high | 94.7 | Very high | 53 Ų | 53 | 59 Ų | 59 | 25% | 0.248 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.2 | 177.7 | -58.1 | -168.2 | 165.7 | 0 | 0 | 109.1 | T170 Y171 K172 M221 | E159-T170 HydrophobicContact CB-CG2 3.92Å; E159-T170 HydrophobicContact CG-CG2 4.48Å; E159-Y171 CarbonylContact C-O 3.52Å; E159-Y171 WeakPolarHBondContact CA-O 3.23Å; E159-K172 HydrophobicContact CG-CD 4.36Å; E159-K172 HydrophobicContact CG-CG 4.09Å; E159-K172 WeakPolarHBondContact OE1-CD 3.29Å; E159-K172 WeakPolarHBondContact OE1-CE 3.43Å; E159-K172 IonicContact OE1-NZ 3.86Å; E159-K172 PolarHBondContact OE1-NZ 3.41Å; E159-K172 IonicContact OE2-NZ 3.01Å; E159-M221 HydrophobicContact CB-CE 4.13Å; E159-M221 PolarHBondContact N-O 3.48Å; E159-M221 PolarHBondContact O-N 3.08Å |
| 160 | M | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.9 | 173 | -178.2 | -177.7 | 71.4 | 0 | 0 | 108.5 | V143 L145 T170 Y171 F173 I187 W204 V219 L220 | V143-M160 HydrophobicContact CG1-CE 3.34Å; V143-M160 HydrophobicContact CG1-SD 3.55Å; V143-M160 VanDerWaalsContact CG1-SD 3.55Å; V143-M160 HydrophobicContact CG2-SD 4.19Å; L145-M160 HydrophobicContact CD2-SD 4.41Å; M160-T170 CarbonylContact O-C 3.56Å; M160-T170 WeakPolarHBondContact O-CA 3.04Å; M160-Y171 HydrophobicContact CE-CD1 4.42Å; M160-Y171 HydrophobicContact CE-CG 4.35Å; M160-Y171 PolarHBondContact N-O 2.84Å; M160-Y171 PolarHBondContact O-N 3.14Å; M160-F173 HydrophobicContact CB-CE2 4.45Å; M160-I187 HydrophobicContact CE-CB 4.3Å; M160-I187 HydrophobicContact CE-CD1 3.8Å; M160-I187 HydrophobicContact CE-CG2 4.1Å; M160-I187 HydrophobicContact SD-CD1 3.91Å; M160-W204 HydrophobicContact CE-CE3 4.01Å; M160-W204 HydrophobicContact CE-CZ3 3.69Å; M160-V219 CarbonylContact C-O 3.51Å; M160-V219 WeakPolarHBondContact CA-O 3.37Å; M160-L220 HydrophobicContact CB-CD1 4.29Å |
| 161 | V | 97.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 54.3 Ų | 54.3 | 12% | 0.121 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.9 | 180 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | S169 T170 M218 V219 M221 | V161-S169 WeakPolarHBondContact CA-O 3Å; V161-T170 HydrophobicContact CG2-CG2 4.26Å; V161-M218 CarbonylContact O-C 3.57Å; V161-M218 WeakPolarHBondContact O-CA 3.4Å; V161-V219 HydrophobicContact CB-CB 4.47Å; V161-V219 PolarHBondContact N-O 3.08Å; V161-V219 PolarHBondContact O-N 3.08Å; V161-M221 HydrophobicContact CG2-CE 3.5Å; V161-M221 HydrophobicContact CG2-CG 4.45Å; V161-M221 HydrophobicContact CG2-SD 4.09Å |
| 162 | Q | 95.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 133.6 | 168.5 | 170.5 | 178.2 | 62 | 0 | 0 | 108.7 | V164 A168 S169 W204 S217 M218 | Q162-V164 HydrophobicContact CG-CG2 3.76Å; Q162-A168 CarbonylContact O-C 3.59Å; Q162-A168 VanDerWaalsContact O-CA 3.23Å; Q162-A168 WeakPolarHBondContact O-CA 3.32Å; Q162-S169 PolarHBondContact N-O 3.49Å; Q162-S169 PolarHBondContact O-N 3.18Å; Q162-W204 HydrophobicContact CB-CH2 3.94Å; Q162-W204 HydrophobicContact CB-CZ3 4.21Å; Q162-S217 CarbonylContact C-O 3.6Å; Q162-S217 WeakPolarHBondContact CA-O 3.42Å; Q162-M218 HydrophobicContact CB-CE 4.2Å; Q162-M218 HydrophobicContact CB-SD 3.59Å; Q162-M218 VanDerWaalsContact CB-SD 3.59Å; Q162-M218 HydrophobicContact CG-CE 3.92Å; Q162-M218 HydrophobicContact CG-SD 3.87Å |
| 163 | N | 94.5 | Very high | 94.7 | Very high | 52 Ų | 52 | 49 Ų | 49 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.1 | 163.7 | -41.6 | -74.5 | 0 | 0 | 0 | 109.5 | V167 A168 S217 | N163-V167 WeakPolarHBondContact CA-O 3.47Å; N163-A168 WeakPolarHBondContact OD1-CB 3.47Å; N163-S217 WeakPolarHBondContact CB-OG 3.44Å; N163-S217 PolarHBondContact N-O 3.41Å; N163-S217 PolarHBondContact ND2-OG 2.86Å; N163-S217 VanDerWaalsContact ND2-OG 3.08Å; N163-S217 PolarHBondContact O-N 3.06Å |
| 164 | V | 91.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 114.7 | 174.4 | -177.5 | 0 | 0 | 0 | 0 | 106.6 | Q162 N166 V167 W210 E214 V216 | Q162-V164 HydrophobicContact CG-CG2 3.76Å; V164-N166 PolarHBondContact O-N 3.25Å; V164-N166 VanDerWaalsContact O-N 3.13Å; V164-V167 PolarHBondContact N-O 2.81Å; V164-V167 PolarHBondContact O-N 3.47Å; V164-W210 HydrophobicContact CG2-CB 4.03Å; V164-W210 HydrophobicContact CG2-CG 4.22Å; V164-E214 HydrophobicContact CG1-CB 4.15Å; V164-E214 VanDerWaalsContact CG1-OE2 3.27Å; V164-E214 WeakPolarHBondContact CG1-OE2 3.41Å; V164-V216 HydrophobicContact CG2-CB 4.39Å; V164-V216 HydrophobicContact CG2-CG1 3.99Å; V164-V216 HydrophobicContact CG2-CG2 4.01Å |
| 165 | G | 83.4 | Confident | 94.5 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 62% | 0.619 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | -117.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 166 | N | 83.5 | Confident | 94.4 | Very high | 177 Ų | 177 | 62.8 Ų | 62.8 | 95% | 0.947 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 3.4 | 178.8 | -73.3 | -16.1 | 0 | 0 | 0 | 114 | V164 | V164-N166 PolarHBondContact O-N 3.25Å; V164-N166 VanDerWaalsContact O-N 3.13Å |
| 167 | V | 88.8 | Confident | 94.4 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.9 | -176.5 | -176 | 0 | 0 | 0 | 0 | 109.4 | N163 V164 | N163-V167 WeakPolarHBondContact CA-O 3.47Å; V164-V167 PolarHBondContact N-O 2.81Å; V164-V167 PolarHBondContact O-N 3.47Å |
| 168 | A | 93.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 61.1 Ų | 61.1 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q162 N163 | Q162-A168 CarbonylContact O-C 3.59Å; Q162-A168 VanDerWaalsContact O-CA 3.23Å; Q162-A168 WeakPolarHBondContact O-CA 3.32Å; N163-A168 WeakPolarHBondContact OD1-CB 3.47Å |
| 169 | S | 95.3 | Very high | 94.5 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.4 | 176.7 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | V161 Q162 W204 Q207 | V161-S169 WeakPolarHBondContact CA-O 3Å; Q162-S169 PolarHBondContact N-O 3.49Å; Q162-S169 PolarHBondContact O-N 3.18Å; S169-W204 WeakPolarHBondContact O-CH2 3.31Å; S169-Q207 PolarHBondContact OG-NE2 3.48Å |
| 170 | T | 96.9 | Very high | 94.5 | Very high | 64 Ų | 64 | 62.8 Ų | 62.8 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.5 | -176.9 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | E159 M160 V161 K172 W204 | E159-T170 HydrophobicContact CB-CG2 3.92Å; E159-T170 HydrophobicContact CG-CG2 4.48Å; M160-T170 CarbonylContact O-C 3.56Å; M160-T170 WeakPolarHBondContact O-CA 3.04Å; V161-T170 HydrophobicContact CG2-CG2 4.26Å; T170-K172 HydrophobicContact CG2-CG 4.4Å; T170-W204 WeakPolarHBondContact O-CZ2 3.27Å |
| 171 | Y | 97.6 | Very high | 94.5 | Very high | 22 Ų | 22 | 64.3 Ų | 64.3 | 9% | 0.086 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.1 | 170.3 | -179.1 | -98.5 | 0 | 0 | 0 | 109.8 | E159 M160 F173 I187 L202 W204 | E159-Y171 CarbonylContact C-O 3.52Å; E159-Y171 WeakPolarHBondContact CA-O 3.23Å; M160-Y171 HydrophobicContact CE-CD1 4.42Å; M160-Y171 HydrophobicContact CE-CG 4.35Å; M160-Y171 PolarHBondContact N-O 2.84Å; M160-Y171 PolarHBondContact O-N 3.14Å; Y171-F173 HydrophobicContact CD1-CD2 4.48Å; Y171-F173 HydrophobicContact CD1-CE2 4.26Å; Y171-F173 HydrophobicContact CD1-CZ 4.25Å; Y171-F173 AromaticContact CE1-CD1 3.99Å; Y171-F173 HydrophobicContact CE1-CD1 3.99Å; Y171-F173 HydrophobicContact CE1-CD2 4.47Å; Y171-F173 AromaticContact CE1-CE1 3.95Å; Y171-F173 HydrophobicContact CE1-CE1 3.95Å; Y171-F173 HydrophobicContact CE1-CE2 4.43Å; Y171-F173 HydrophobicContact CE1-CG 4.24Å; Y171-F173 HydrophobicContact CE1-CZ 4.14Å; Y171-I187 HydrophobicContact CD1-CD1 4.41Å; Y171-I187 HydrophobicContact CD1-CG2 4.37Å; Y171-I187 HydrophobicContact CD2-CG2 4.05Å; Y171-I187 HydrophobicContact CE1-CD1 4.34Å; Y171-I187 HydrophobicContact CE1-CG1 4.18Å; Y171-I187 HydrophobicContact CE1-CG2 4.34Å; Y171-I187 HydrophobicContact CE2-CG2 4.01Å; Y171-I187 HydrophobicContact CG-CG2 4.24Å; Y171-L202 WeakPolarHBondContact OH-CD1 3.46Å; Y171-W204 HydrophobicContact CD2-CB 3.9Å; Y171-W204 AromaticContact CD2-CD1 3.89Å; Y171-W204 AromaticContact CD2-CD2 3.76Å; Y171-W204 HydrophobicContact CD2-CD2 3.76Å; Y171-W204 HydrophobicContact CD2-CE3 4.28Å; Y171-W204 AromaticContact CD2-CG 3.57Å; Y171-W204 HydrophobicContact CD2-CG 3.57Å; Y171-W204 HydrophobicContact CE2-CB 4.24Å; Y171-W204 HydrophobicContact CE2-CG 4.35Å; Y171-W204 HydrophobicContact CG-CD2 4.15Å; Y171-W204 HydrophobicContact CG-CE3 4.32Å; Y171-W204 HydrophobicContact CG-CG 4.42Å |
| 172 | K | 96.9 | Very high | 94.5 | Very high | 133 Ų | 133 | 66 Ų | 66 | 58% | 0.578 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.4 | 177.9 | -54.7 | -163.8 | -176.2 | -151 | 0 | 110.3 | E159 T170 | E159-K172 HydrophobicContact CG-CD 4.36Å; E159-K172 HydrophobicContact CG-CG 4.09Å; E159-K172 WeakPolarHBondContact OE1-CD 3.29Å; E159-K172 WeakPolarHBondContact OE1-CE 3.43Å; E159-K172 IonicContact OE1-NZ 3.86Å; E159-K172 PolarHBondContact OE1-NZ 3.41Å; E159-K172 IonicContact OE2-NZ 3.01Å; T170-K172 HydrophobicContact CG2-CG 4.4Å |
| 173 | F | 96.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 70.4 Ų | 70.4 | 5% | 0.048 | 41% | 0.409 | C | S | . | . | trans | -69.9 | 147.4 | 176 | -70.2 | -87 | 0 | 0 | 0 | 111.1 | L145 M155 Y158 M160 Y171 Y177 I187 L202 L220 | L145-F173 HydrophobicContact CD1-CE1 4.32Å; L145-F173 HydrophobicContact CD1-CE2 4.34Å; L145-F173 HydrophobicContact CD1-CZ 3.52Å; M155-F173 HydrophobicContact CB-CB 3.86Å; M155-F173 HydrophobicContact CB-CD1 3.95Å; M155-F173 HydrophobicContact CB-CD2 4.25Å; M155-F173 HydrophobicContact CB-CG 3.74Å; M155-F173 HydrophobicContact CE-CD2 4.17Å; M155-F173 HydrophobicContact CE-CE1 4.37Å; M155-F173 HydrophobicContact CE-CE2 3.86Å; M155-F173 HydrophobicContact CE-CZ 3.99Å; M155-F173 HydrophobicContact CG-CD1 4.38Å; M155-F173 VanDerWaalsContact O-CB 3.29Å; M155-F173 WeakPolarHBondContact O-CB 3.41Å; Y158-F173 WeakPolarHBondContact O-CD2 3.48Å; Y158-F173 PolarHBondContact O-N 3.33Å; M160-F173 HydrophobicContact CB-CE2 4.45Å; Y171-F173 HydrophobicContact CD1-CD2 4.48Å; Y171-F173 HydrophobicContact CD1-CE2 4.26Å; Y171-F173 HydrophobicContact CD1-CZ 4.25Å; Y171-F173 AromaticContact CE1-CD1 3.99Å; Y171-F173 HydrophobicContact CE1-CD1 3.99Å; Y171-F173 HydrophobicContact CE1-CD2 4.47Å; Y171-F173 AromaticContact CE1-CE1 3.95Å; Y171-F173 HydrophobicContact CE1-CE1 3.95Å; Y171-F173 HydrophobicContact CE1-CE2 4.43Å; Y171-F173 HydrophobicContact CE1-CG 4.24Å; Y171-F173 HydrophobicContact CE1-CZ 4.14Å; F173-Y177 AromaticContact CD1-CD1 3.75Å; F173-Y177 HydrophobicContact CD1-CD1 3.75Å; F173-Y177 HydrophobicContact CD1-CE1 4.17Å; F173-Y177 HydrophobicContact CD1-CG 4.32Å; F173-Y177 HydrophobicContact CE1-CD1 4.34Å; F173-Y177 HydrophobicContact CE1-CE1 4.31Å; F173-I187 HydrophobicContact CE1-CD1 4.16Å; F173-I187 HydrophobicContact CZ-CD1 3.91Å; F173-L202 HydrophobicContact CD1-CD1 4.35Å; F173-L202 HydrophobicContact CE1-CD1 4.29Å; F173-L220 HydrophobicContact CE2-CD1 3.91Å | ||
| 174 | T | 95.3 | Very high | 94.8 | Very high | 82 Ų | 82 | 73 Ų | 73 | 50% | 0.503 | 42% | 0.417 | S | S | . | . | trans | -69.7 | 147.3 | 175 | 71.2 | 0 | 0 | 0 | 0 | 110.4 | K176 Y177 | T174-K176 PolarHBondContact O-N 2.8Å; T174-Y177 WeakPolarHBondContact O-CB 3.41Å; T174-Y177 PolarHBondContact O-N 3.23Å | ||
| 175 | P | 94.1 | Very high | 95.1 | Very high | 104 Ų | 104 | 72.1 Ų | 72.1 | 68% | 0.675 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.9 | -175.5 | -26.5 | 34.6 | 0 | 0 | 0 | 116 | V156 | V156-P175 HydrophobicContact CG2-CB 3.93Š|
| 176 | K | 94.9 | Very high | 95.8 | Very high | 197 Ų | 197 | 70.5 Ų | 70.5 | 86% | 0.857 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -1.5 | 179.6 | -63.5 | -175.6 | 179.3 | -179.4 | 0 | 113.1 | T174 | T174-K176 PolarHBondContact O-N 2.8Š|
| 177 | Y | 97.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 62.1 Ų | 62.1 | 6% | 0.059 | 35% | 0.346 | C | S | . | . | trans | -75.7 | 128.5 | -175.6 | -170.5 | -93.3 | 0 | 0 | 0 | 111 | M155 F173 T174 L179 V185 P199 L202 | M155-Y177 HydrophobicContact CB-CD1 3.8Å; M155-Y177 HydrophobicContact CG-CD1 3.63Å; M155-Y177 HydrophobicContact CG-CE1 3.96Å; M155-Y177 PolarHBondContact N-O 3.27Å; F173-Y177 AromaticContact CD1-CD1 3.75Å; F173-Y177 HydrophobicContact CD1-CD1 3.75Å; F173-Y177 HydrophobicContact CD1-CE1 4.17Å; F173-Y177 HydrophobicContact CD1-CG 4.32Å; F173-Y177 HydrophobicContact CE1-CD1 4.34Å; F173-Y177 HydrophobicContact CE1-CE1 4.31Å; T174-Y177 WeakPolarHBondContact O-CB 3.41Å; T174-Y177 PolarHBondContact O-N 3.23Å; Y177-L179 HydrophobicContact CE1-CB 4.09Å; Y177-V185 HydrophobicContact CE1-CG1 4.41Å; Y177-V185 HydrophobicContact CE2-CG2 4.45Å; Y177-V185 WeakPolarHBondContact OH-CB 3.36Å; Y177-V185 WeakPolarHBondContact OH-CG2 3.22Å; Y177-P199 HydrophobicContact CE2-CB 3.87Å; Y177-P199 WeakPolarHBondContact CE2-O 3.47Å; Y177-P199 PolarHBondContact OH-O 2.81Å; Y177-L202 HydrophobicContact CD2-CD1 4.09Å; Y177-L202 HydrophobicContact CD2-CD2 4.32Å; Y177-L202 HydrophobicContact CE2-CD1 3.8Å; Y177-L202 HydrophobicContact CE2-CD2 4.06Å; Y177-L202 HydrophobicContact CE2-CG 4.29Å | ||
| 178 | V | 97.8 | Very high | 96.9 | Very high | 61 Ų | 61 | 59.7 Ų | 59.7 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.3 | 177.5 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | D152 Q153 A154 | D152-V178 HydrophobicContact CB-CG1 3.9Å; Q153-V178 CarbonylContact O-C 3.16Å; Q153-V178 WeakPolarHBondContact O-CA 3.36Å; A154-V178 HydrophobicContact CB-CG2 4.49Å |
| 179 | L | 97.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 109.5 | 173.5 | -173.1 | 58.7 | 0 | 0 | 0 | 108.8 | I131 L145 N147 Q153 M155 Y177 H183 V185 | I131-L179 HydrophobicContact CD1-CD2 3.94Å; I131-L179 HydrophobicContact CG2-CD2 4.44Å; L145-L179 HydrophobicContact CB-CD2 4.48Å; N147-L179 HydrophobicContact CB-CD2 3.84Å; N147-L179 HydrophobicContact CB-CG 3.75Å; N147-L179 PolarHBondContact ND2-O 3.28Å; Q153-L179 PolarHBondContact N-O 2.97Å; Q153-L179 PolarHBondContact O-N 2.77Å; M155-L179 HydrophobicContact CG-CB 4.2Å; M155-L179 HydrophobicContact SD-CB 4.45Å; Y177-L179 HydrophobicContact CE1-CB 4.09Å; L179-H183 HydrophobicContact CD1-CB 4.32Å; L179-V185 HydrophobicContact CD1-CB 3.95Å; L179-V185 HydrophobicContact CD1-CG1 3.81Å; L179-V185 HydrophobicContact CD2-CG1 3.97Å; L179-V185 HydrophobicContact CG-CG1 4.5Å |
| 180 | K | 98 | Very high | 97.1 | Very high | 114 Ų | 114 | 58.4 Ų | 58.4 | 50% | 0.496 | 31% | 0.313 | S | S | . | . | trans | -64.5 | 153 | -177.1 | -65.4 | -170.1 | 174.5 | -172.6 | 0 | 112.6 | N147 D152 G182 H183 | N147-K180 WeakPolarHBondContact CB-O 2.93Å; N147-K180 PolarHBondContact ND2-O 3.13Å; D152-K180 WeakPolarHBondContact OD1-CA 3.44Å; D152-K180 WeakPolarHBondContact OD1-CB 3.45Å; K180-G182 PolarHBondContact O-N 3.16Å; K180-H183 HydrophobicContact CB-CB 4.09Å; K180-H183 WeakPolarHBondContact O-CB 3.43Å; K180-H183 PolarHBondContact O-N 3.05Å | ||
| 181 | A | 97.9 | Very high | 97 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 132.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G149 D150 D152 H183 | G149-A181 WeakPolarHBondContact O-CB 3.27Å; D150-A181 VanDerWaalsContact C-CB 3.5Å; D150-A181 WeakPolarHBondContact O-CB 3.38Å; D152-A181 PolarHBondContact OD1-N 2.98Å; A181-H183 PolarHBondContact O-CD2 3.43Å; A181-H183 PolarHBondContact O-N 3.04Å; A181-H183 VanDerWaalsContact O-N 3.16Å |
| 182 | G | 96.7 | Very high | 96.8 | Very high | 56 Ų | 56 | 59.4 Ų | 59.4 | 58% | 0.577 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 1.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | N147 K180 | N147-G182 WeakPolarHBondContact O-CA 3.21Å; N147-G182 PolarHBondContact O-N 3.01Å; K180-G182 PolarHBondContact O-N 3.16Å |
| 183 | H | 97.8 | Very high | 96.5 | Very high | 94 Ų | 94 | 56.9 Ų | 56.9 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | trans | -95.5 | 153.4 | -178.6 | -76.7 | -141.7 | 0 | 0 | 0 | 112.4 | N147 L179 K180 A181 | N147-H183 PolarHBondContact N-O 2.93Å; L179-H183 HydrophobicContact CD1-CB 4.32Å; K180-H183 HydrophobicContact CB-CB 4.09Å; K180-H183 WeakPolarHBondContact O-CB 3.43Å; K180-H183 PolarHBondContact O-N 3.05Å; A181-H183 PolarHBondContact O-CD2 3.43Å; A181-H183 PolarHBondContact O-N 3.04Å; A181-H183 VanDerWaalsContact O-N 3.16Å | ||
| 184 | K | 98 | Very high | 96.3 | Very high | 105 Ų | 105 | 59 Ų | 59 | 46% | 0.457 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 153.4 | 173.4 | -64.3 | -173.5 | -176.1 | -168.8 | 0 | 111.9 | D134 L145 L146 | D134-K184 IonicContact OD1-NZ 3.84Å; D134-K184 WeakPolarHBondContact OD2-CE 3.42Å; D134-K184 IonicContact OD2-NZ 2.66Å; D134-K184 PolarHBondContact OD2-NZ 3.03Å; L145-K184 CarbonylContact O-C 3.49Å; L145-K184 WeakPolarHBondContact O-CA 3.43Å; L146-K184 HydrophobicContact CB-CG 4.15Å; L146-K184 HydrophobicContact CD1-CG 3.64Å; L146-K184 HydrophobicContact CG-CG 4.47Å |
| 185 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.8 | 166.8 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | C144 L145 Y177 L179 P199 S200 L202 | C144-V185 CarbonylContact C-O 3.53Å; C144-V185 WeakPolarHBondContact CA-O 3Å; L145-V185 HydrophobicContact CB-CG1 3.82Å; L145-V185 HydrophobicContact CD1-CG1 4.42Å; L145-V185 HydrophobicContact CG-CG1 4.39Å; L145-V185 PolarHBondContact N-O 3.3Å; L145-V185 PolarHBondContact O-N 2.89Å; Y177-V185 HydrophobicContact CE1-CG1 4.41Å; Y177-V185 HydrophobicContact CE2-CG2 4.45Å; Y177-V185 WeakPolarHBondContact OH-CB 3.36Å; Y177-V185 WeakPolarHBondContact OH-CG2 3.22Å; L179-V185 HydrophobicContact CD1-CB 3.95Å; L179-V185 HydrophobicContact CD1-CG1 3.81Å; L179-V185 HydrophobicContact CD2-CG1 3.97Å; L179-V185 HydrophobicContact CG-CG1 4.5Å; V185-P199 WeakPolarHBondContact CG2-O 3.5Å; V185-S200 WeakPolarHBondContact CA-O 3.36Å; V185-L202 HydrophobicContact CG2-CD1 3.69Å; V185-L202 HydrophobicContact CG2-CG 3.77Å |
| 186 | T | 98.2 | Very high | 96.1 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.1 | 177.1 | -52.2 | 0 | 0 | 0 | 0 | 109.3 | F142 W188 S200 L202 | F142-T186 HydrophobicContact CB-CG2 3.66Å; F142-T186 HydrophobicContact CD2-CG2 3.55Å; F142-T186 HydrophobicContact CE2-CG2 4.42Å; F142-T186 HydrophobicContact CG-CG2 3.75Å; T186-W188 HydrophobicContact CG2-CD2 4.02Å; T186-W188 VanDerWaalsContact CG2-CE2 3.45Å; T186-W188 HydrophobicContact CG2-CG 4.3Å; T186-W188 HydrophobicContact CG2-CZ2 3.76Å; T186-S200 PolarHBondContact N-O 2.97Å; T186-L202 PolarHBondContact O-N 2.95Å |
| 187 | I | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109 | 175.3 | -60 | 136.9 | 0 | 0 | 0 | 107.1 | F142 V143 L145 M160 Y171 F173 L202 W204 | F142-I187 VanDerWaalsContact CA-O 3.27Å; F142-I187 WeakPolarHBondContact CA-O 3.49Å; F142-I187 WeakPolarHBondContact CB-O 3.31Å; V143-I187 HydrophobicContact CG1-CB 3.98Å; V143-I187 HydrophobicContact CG1-CD1 4.35Å; V143-I187 PolarHBondContact N-O 2.98Å; V143-I187 PolarHBondContact O-N 2.98Å; L145-I187 HydrophobicContact CD1-CD1 4.06Å; L145-I187 HydrophobicContact CG-CD1 4.21Å; M160-I187 HydrophobicContact CE-CB 4.3Å; M160-I187 HydrophobicContact CE-CD1 3.8Å; M160-I187 HydrophobicContact CE-CG2 4.1Å; M160-I187 HydrophobicContact SD-CD1 3.91Å; Y171-I187 HydrophobicContact CD1-CD1 4.41Å; Y171-I187 HydrophobicContact CD1-CG2 4.37Å; Y171-I187 HydrophobicContact CD2-CG2 4.05Å; Y171-I187 HydrophobicContact CE1-CD1 4.34Å; Y171-I187 HydrophobicContact CE1-CG1 4.18Å; Y171-I187 HydrophobicContact CE1-CG2 4.34Å; Y171-I187 HydrophobicContact CE2-CG2 4.01Å; Y171-I187 HydrophobicContact CG-CG2 4.24Å; F173-I187 HydrophobicContact CE1-CD1 4.16Å; F173-I187 HydrophobicContact CZ-CD1 3.91Å; I187-L202 WeakPolarHBondContact CA-O 3.24Å; I187-L202 HydrophobicContact CG1-CB 4.24Å; I187-L202 HydrophobicContact CG1-CD1 4.39Å; I187-W204 HydrophobicContact CG2-CB 4.1Å; I187-W204 HydrophobicContact CG2-CE3 4.35Å |
| 188 | W | 97.8 | Very high | 95.8 | Very high | 48 Ų | 48 | 57.7 Ų | 57.7 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 143.1 | -176.8 | -62.7 | 91.6 | 0 | 0 | 0 | 111.2 | F142 T186 A192 V194 D201 L202 V203 W204 | F142-W188 HydrophobicContact CB-CD2 3.95Å; F142-W188 HydrophobicContact CB-CE3 3.68Å; F142-W188 HydrophobicContact CB-CG 4.45Å; F142-W188 HydrophobicContact CB-CZ3 4.04Å; F142-W188 AromaticContact CD1-CE3 3.99Å; F142-W188 HydrophobicContact CD1-CE3 3.99Å; F142-W188 AromaticContact CD1-CH2 3.8Å; F142-W188 HydrophobicContact CD1-CH2 3.8Å; F142-W188 AromaticContact CD1-CZ3 3.44Å; F142-W188 HydrophobicContact CD1-CZ3 3.44Å; F142-W188 VanDerWaalsContact CD1-CZ3 3.44Å; F142-W188 HydrophobicContact CE1-CH2 4.27Å; F142-W188 HydrophobicContact CE1-CZ3 4.23Å; F142-W188 HydrophobicContact CG-CE3 4.17Å; F142-W188 HydrophobicContact CG-CH2 4.28Å; F142-W188 HydrophobicContact CG-CZ3 4.01Å; T186-W188 HydrophobicContact CG2-CD2 4.02Å; T186-W188 VanDerWaalsContact CG2-CE2 3.45Å; T186-W188 HydrophobicContact CG2-CG 4.3Å; T186-W188 HydrophobicContact CG2-CZ2 3.76Å; W188-A192 HydrophobicContact CB-CB 4.34Å; W188-A192 HydrophobicContact CE3-CB 3.85Å; W188-V194 HydrophobicContact CD2-CB 4.01Å; W188-V194 HydrophobicContact CD2-CG1 4.2Å; W188-V194 HydrophobicContact CD2-CG2 3.81Å; W188-V194 HydrophobicContact CE3-CB 4.34Å; W188-V194 HydrophobicContact CE3-CG2 3.72Å; W188-V194 HydrophobicContact CG-CB 4.09Å; W188-V194 HydrophobicContact CG-CG1 4.2Å; W188-V194 HydrophobicContact CG-CG2 4.42Å; W188-V194 HydrophobicContact CH2-CG2 4.23Å; W188-V194 HydrophobicContact CZ2-CG2 4.3Å; W188-V194 HydrophobicContact CZ3-CG2 3.94Å; W188-D201 PolarHBondContact NE1-OD1 2.85Å; W188-L202 PolarHBondContact N-O 2.86Å; W188-V203 HydrophobicContact CB-CG2 4.44Å; W188-V203 CarbonylContact O-C 3.54Å; W188-V203 WeakPolarHBondContact O-CA 3.41Å; W188-W204 PolarHBondContact O-N 3.11Å |
| 189 | A | 96.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.017 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 155.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111 | K141 D191 A192 | K141-A189 WeakPolarHBondContact O-CB 3.39Å; K141-A189 PolarHBondContact O-N 3.24Å; A189-D191 WeakPolarHBondContact CB-OD1 3.44Å; A189-D191 PolarHBondContact O-N 3.27Å; A189-A192 WeakPolarHBondContact O-CB 3.39Å; A189-A192 PolarHBondContact O-N 2.97Å |
| 190 | S | 95.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 40% | 0.399 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25.7 | -175.8 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | K205 Q207 | S190-K205 WeakPolarHBondContact CB-O 3.06Å; S190-Q207 WeakPolarHBondContact CB-O 3.37Å; S190-Q207 PolarHBondContact N-O 2.86Å; S190-Q207 PolarHBondContact OG-O 2.72Å |
| 191 | D | 94.6 | Very high | 95.4 | Very high | 83 Ų | 83 | 57.1 Ų | 57.1 | 44% | 0.444 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 2.6 | -178 | 61.4 | -19.6 | 0 | 0 | 0 | 113.2 | A189 G193 S209 | A189-D191 WeakPolarHBondContact CB-OD1 3.44Å; A189-D191 PolarHBondContact O-N 3.27Å; D191-G193 PolarHBondContact O-N 3.49Å; D191-S209 VanDerWaalsContact CG-N 3.3Å; D191-S209 PolarHBondContact OD1-N 3.48Å; D191-S209 WeakPolarHBondContact OD2-CB 3.37Å; D191-S209 PolarHBondContact OD2-N 3.08Å; D191-S209 VanDerWaalsContact OD2-N 3.12Å; D191-S209 PolarHBondContact OD2-OG 3.35Å |
| 192 | A | 92.8 | Very high | 95.4 | Very high | 25 Ų | 25 | 56.2 Ų | 56.2 | 21% | 0.207 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -67.4 | -7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K141 W188 A189 V194 | K141-A192 HydrophobicContact CB-CB 4.18Å; W188-A192 HydrophobicContact CB-CB 4.34Å; W188-A192 HydrophobicContact CE3-CB 3.85Å; A189-A192 WeakPolarHBondContact O-CB 3.39Å; A189-A192 PolarHBondContact O-N 2.97Å; A192-V194 PolarHBondContact O-N 2.99Å |
| 193 | G | 91 | Very high | 95.4 | Very high | 80 Ų | 80 | 54.8 Ų | 54.8 | 83% | 0.825 | 33% | 0.33 | S | S | * | . | trans | 74.5 | 9.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D191 | D191-G193 PolarHBondContact O-N 3.49Š| ||
| 194 | V | 93 | Very high | 95.3 | Very high | 54 Ų | 54 | 51.2 Ų | 51.2 | 33% | 0.327 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -97.7 | 134.1 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | W188 A192 | W188-V194 HydrophobicContact CD2-CB 4.01Å; W188-V194 HydrophobicContact CD2-CG1 4.2Å; W188-V194 HydrophobicContact CD2-CG2 3.81Å; W188-V194 HydrophobicContact CE3-CB 4.34Å; W188-V194 HydrophobicContact CE3-CG2 3.72Å; W188-V194 HydrophobicContact CG-CB 4.09Å; W188-V194 HydrophobicContact CG-CG1 4.2Å; W188-V194 HydrophobicContact CG-CG2 4.42Å; W188-V194 HydrophobicContact CH2-CG2 4.23Å; W188-V194 HydrophobicContact CZ2-CG2 4.3Å; W188-V194 HydrophobicContact CZ3-CG2 3.94Å; A192-V194 PolarHBondContact O-N 2.99Å |
| 195 | S | 91.3 | Very high | 95 | Very high | 88 Ų | 88 | 54 Ų | 54 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 137.1 | 172.3 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | K197 | S195-K197 PolarHBondContact O-N 2.92Š|
| 196 | S | 93.5 | Very high | 94.6 | Very high | 55 Ų | 55 | 61.4 Ų | 61.4 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 124.5 | 177.9 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 197 | K | 94.3 | Very high | 94.3 | Very high | 138 Ų | 138 | 61.9 Ų | 61.9 | 60% | 0.6 | 37% | 0.365 | S | S | * | . | B | Isolated β-bridge | trans | -133 | 77.9 | 177.5 | -63.5 | 173.1 | -173 | 170.7 | 0 | 110.3 | S195 S200 D201 | S195-K197 PolarHBondContact O-N 2.92Å; K197-S200 PolarHBondContact O-N 2.95Å; K197-D201 CarbonylContact C-O 3.5Å; K197-D201 HydrophobicContact CB-CB 4.15Å; K197-D201 PolarHBondContact N-O 2.6Å; K197-D201 PolarHBondContact O-N 2.77Å |
| 198 | P | 92.2 | Very high | 94 | Very high | 90 Ų | 90 | 65 Ų | 65 | 58% | 0.584 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 143.7 | 177.8 | -21.5 | 33.1 | 0 | 0 | 0 | 111.9 | L202 | P198-L202 HydrophobicContact CB-CD2 4.09Å; P198-L202 HydrophobicContact CG-CD2 4.02Å |
| 199 | P | 93.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87.7 | -18.6 | 7 | 34.1 | -34.6 | 0 | 0 | 0 | 114.4 | Y177 V185 | Y177-P199 HydrophobicContact CE2-CB 3.87Å; Y177-P199 WeakPolarHBondContact CE2-O 3.47Å; Y177-P199 PolarHBondContact OH-O 2.81Å; V185-P199 WeakPolarHBondContact CG2-O 3.5Å |
| 200 | S | 95.2 | Very high | 93.2 | Very high | 58 Ų | 58 | 65.7 Ų | 65.7 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -37.6 | -168.5 | -60 | 0 | 0 | 0 | 0 | 114.2 | V185 T186 K197 | V185-S200 WeakPolarHBondContact CA-O 3.36Å; T186-S200 PolarHBondContact N-O 2.97Å; K197-S200 PolarHBondContact O-N 2.95Å |
| 201 | D | 96.8 | Very high | 92.4 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.1 | -177.2 | -60.5 | -73.1 | 0 | 0 | 0 | 110.6 | W188 K197 | W188-D201 PolarHBondContact NE1-OD1 2.85Å; K197-D201 CarbonylContact C-O 3.5Å; K197-D201 HydrophobicContact CB-CB 4.15Å; K197-D201 PolarHBondContact N-O 2.6Å; K197-D201 PolarHBondContact O-N 2.77Å |
| 202 | L | 97.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 64.9 Ų | 64.9 | 6% | 0.063 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 152.3 | 174.9 | -55.8 | -179.4 | 0 | 0 | 0 | 109.6 | Y171 F173 Y177 V185 T186 I187 W188 P198 | Y171-L202 WeakPolarHBondContact OH-CD1 3.46Å; F173-L202 HydrophobicContact CD1-CD1 4.35Å; F173-L202 HydrophobicContact CE1-CD1 4.29Å; Y177-L202 HydrophobicContact CD2-CD1 4.09Å; Y177-L202 HydrophobicContact CD2-CD2 4.32Å; Y177-L202 HydrophobicContact CE2-CD1 3.8Å; Y177-L202 HydrophobicContact CE2-CD2 4.06Å; Y177-L202 HydrophobicContact CE2-CG 4.29Å; V185-L202 HydrophobicContact CG2-CD1 3.69Å; V185-L202 HydrophobicContact CG2-CG 3.77Å; T186-L202 PolarHBondContact O-N 2.95Å; I187-L202 WeakPolarHBondContact CA-O 3.24Å; I187-L202 HydrophobicContact CG1-CB 4.24Å; I187-L202 HydrophobicContact CG1-CD1 4.39Å; W188-L202 PolarHBondContact N-O 2.86Å; P198-L202 HydrophobicContact CB-CD2 4.09Å; P198-L202 HydrophobicContact CG-CD2 4.02Å |
| 203 | V | 97 | Very high | 91 | Very high | 27 Ų | 27 | 65.6 Ų | 65.6 | 16% | 0.164 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.4 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | W188 K205 | W188-V203 HydrophobicContact CB-CG2 4.44Å; W188-V203 CarbonylContact O-C 3.54Å; W188-V203 WeakPolarHBondContact O-CA 3.41Å; V203-K205 HydrophobicContact CG1-CG 4.34Å; V203-K205 PolarHBondContact O-N 3.06Å; V203-K205 VanDerWaalsContact O-N 3.16Å |
| 204 | W | 96.6 | Very high | 90.8 | Very high | 18 Ų | 18 | 67.3 Ų | 67.3 | 7% | 0.068 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 81.6 | 171.6 | -163.7 | -19.6 | 0 | 0 | 0 | 109.9 | M160 Q162 S169 T170 Y171 I187 W188 N206 Q207 | M160-W204 HydrophobicContact CE-CE3 4.01Å; M160-W204 HydrophobicContact CE-CZ3 3.69Å; Q162-W204 HydrophobicContact CB-CH2 3.94Å; Q162-W204 HydrophobicContact CB-CZ3 4.21Å; S169-W204 WeakPolarHBondContact O-CH2 3.31Å; T170-W204 WeakPolarHBondContact O-CZ2 3.27Å; Y171-W204 HydrophobicContact CD2-CB 3.9Å; Y171-W204 AromaticContact CD2-CD1 3.89Å; Y171-W204 AromaticContact CD2-CD2 3.76Å; Y171-W204 HydrophobicContact CD2-CD2 3.76Å; Y171-W204 HydrophobicContact CD2-CE3 4.28Å; Y171-W204 AromaticContact CD2-CG 3.57Å; Y171-W204 HydrophobicContact CD2-CG 3.57Å; Y171-W204 HydrophobicContact CE2-CB 4.24Å; Y171-W204 HydrophobicContact CE2-CG 4.35Å; Y171-W204 HydrophobicContact CG-CD2 4.15Å; Y171-W204 HydrophobicContact CG-CE3 4.32Å; Y171-W204 HydrophobicContact CG-CG 4.42Å; I187-W204 HydrophobicContact CG2-CB 4.1Å; I187-W204 HydrophobicContact CG2-CE3 4.35Å; W188-W204 PolarHBondContact O-N 3.11Å; W204-N206 PolarHBondContact O-N 3.26Å; W204-Q207 HydrophobicContact CB-CB 4.22Å; W204-Q207 HydrophobicContact CD2-CB 3.63Å; W204-Q207 HydrophobicContact CD2-CG 4.07Å; W204-Q207 HydrophobicContact CE3-CB 4.35Å; W204-Q207 HydrophobicContact CE3-CG 4.32Å; W204-Q207 HydrophobicContact CG-CB 3.54Å; W204-Q207 HydrophobicContact CG-CG 4.44Å; W204-Q207 HydrophobicContact CZ2-CB 4.38Å; W204-Q207 HydrophobicContact CZ2-CG 4.38Å; W204-Q207 PolarHBondContact O-N 3.12Å |
| 205 | K | 91.9 | Very high | 90.7 | Very high | 165 Ų | 165 | 68.2 Ų | 68.2 | 72% | 0.717 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28 | -168.8 | -63.9 | -175.2 | 178.3 | -177.6 | 0 | 116.2 | S190 V203 | S190-K205 WeakPolarHBondContact CB-O 3.06Å; V203-K205 HydrophobicContact CG1-CG 4.34Å; V203-K205 PolarHBondContact O-N 3.06Å; V203-K205 VanDerWaalsContact O-N 3.16Å |
| 206 | N | 89.5 | Confident | 90.8 | Very high | 155 Ų | 155 | 64.2 Ų | 64.2 | 83% | 0.829 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 13.5 | -176 | -60.1 | -14 | 0 | 0 | 0 | 112.6 | W204 | W204-N206 PolarHBondContact O-N 3.26Š|
| 207 | Q | 91.9 | Very high | 90.9 | Very high | 35 Ų | 35 | 62.7 Ų | 62.7 | 16% | 0.164 | 36% | 0.362 | C | S | . | . | trans | -129.1 | 120.6 | -179.9 | -171 | 59.6 | -2.9 | 0 | 0 | 109.7 | S169 S190 W204 | S169-Q207 PolarHBondContact OG-NE2 3.48Å; S190-Q207 WeakPolarHBondContact CB-O 3.37Å; S190-Q207 PolarHBondContact N-O 2.86Å; S190-Q207 PolarHBondContact OG-O 2.72Å; W204-Q207 HydrophobicContact CB-CB 4.22Å; W204-Q207 HydrophobicContact CD2-CB 3.63Å; W204-Q207 HydrophobicContact CD2-CG 4.07Å; W204-Q207 HydrophobicContact CE3-CB 4.35Å; W204-Q207 HydrophobicContact CE3-CG 4.32Å; W204-Q207 HydrophobicContact CG-CB 3.54Å; W204-Q207 HydrophobicContact CG-CG 4.44Å; W204-Q207 HydrophobicContact CZ2-CB 4.38Å; W204-Q207 HydrophobicContact CZ2-CG 4.38Å; W204-Q207 PolarHBondContact O-N 3.12Å | ||
| 208 | S | 91.7 | Very high | 91 | Very high | 65 Ų | 65 | 56.1 Ų | 56.1 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | trans | -76.9 | 168.4 | 168.5 | 55.8 | 0 | 0 | 0 | 0 | 110 | W210 | S208-W210 PolarHBondContact O-N 2.77Š| ||
| 209 | S | 90.4 | Very high | 91.3 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | trans | -53 | 141.2 | 169.9 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | G140 D191 G211 | G140-S209 VanDerWaalsContact O-CA 3.24Å; G140-S209 WeakPolarHBondContact O-CA 3.35Å; G140-S209 WeakPolarHBondContact O-CB 3.46Å; D191-S209 VanDerWaalsContact CG-N 3.3Å; D191-S209 PolarHBondContact OD1-N 3.48Å; D191-S209 WeakPolarHBondContact OD2-CB 3.37Å; D191-S209 PolarHBondContact OD2-N 3.08Å; D191-S209 VanDerWaalsContact OD2-N 3.12Å; D191-S209 PolarHBondContact OD2-OG 3.35Å; S209-G211 VanDerWaalsContact C-N 3.31Å | ||
| 210 | W | 87 | Confident | 91.5 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 10% | 0.095 | 29% | 0.288 | C | S | . | . | trans | -94.3 | 10.3 | -175.1 | 51.5 | 87.5 | 0 | 0 | 0 | 113.2 | I136 G140 V164 S208 M218 | I136-W210 HydrophobicContact CG2-CZ2 4.23Å; G140-W210 WeakPolarHBondContact O-CZ3 3.41Å; G140-W210 PolarHBondContact O-N 2.65Å; V164-W210 HydrophobicContact CG2-CB 4.03Å; V164-W210 HydrophobicContact CG2-CG 4.22Å; S208-W210 PolarHBondContact O-N 2.77Å; W210-M218 HydrophobicContact CD2-CE 4.47Å; W210-M218 HydrophobicContact CH2-CE 3.66Å; W210-M218 HydrophobicContact CZ2-CE 3.42Å; W210-M218 VanDerWaalsContact CZ2-CE 3.42Å; W210-M218 HydrophobicContact CZ3-CE 4.28Å | ||
| 211 | G | 79.5 | Confident | 91.6 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | trans | 77.1 | 173.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | S209 | S209-G211 VanDerWaalsContact C-N 3.31Š| ||
| 212 | S | 80 | Confident | 91.6 | Very high | 87 Ų | 87 | 47.8 Ų | 47.8 | 61% | 0.608 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -104.8 | 148.5 | 177.6 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | T138 | T138-S212 WeakPolarHBondContact O-CA 3.36Š|
| 213 | G | 78.3 | Confident | 91.5 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 42% | 0.423 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 91.2 | -2.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y235 | G213-Y235 WeakPolarHBondContact O-CB 2.97Š|
| 214 | E | 85.1 | Confident | 91.4 | Very high | 115 Ų | 115 | 56 Ų | 56 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -103.7 | 145.7 | 173.8 | -68.2 | -169.8 | 179.7 | 0 | 0 | 112 | V164 V216 Y235 | V164-E214 HydrophobicContact CG1-CB 4.15Å; V164-E214 VanDerWaalsContact CG1-OE2 3.27Å; V164-E214 WeakPolarHBondContact CG1-OE2 3.41Å; E214-V216 VanDerWaalsContact O-CG2 3.31Å; E214-V216 WeakPolarHBondContact O-CG2 3.48Å; E214-V216 PolarHBondContact O-N 2.76Å; E214-Y235 VanDerWaalsContact C-CD2 3.4Å; E214-Y235 WeakPolarHBondContact O-CD2 3.5Å; E214-Y235 WeakPolarHBondContact O-CE2 3.23Å |
| 215 | D | 91.1 | Very high | 91.2 | Very high | 74 Ų | 74 | 57.7 Ų | 57.7 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | trans | -59.5 | 123.1 | 174.7 | -81.5 | 16 | 0 | 0 | 0 | 111 | T233 K234 Y235 | D215-T233 WeakPolarHBondContact CA-O 3.28Å; D215-K234 WeakPolarHBondContact OD1-CA 3.39Å; D215-K234 WeakPolarHBondContact OD2-CG 3.3Å; D215-Y235 PolarHBondContact OD1-N 3.06Å | ||
| 216 | V | 93.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.4 | -179.9 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | I136 V164 E214 M218 I232 T233 | I136-V216 HydrophobicContact CG2-CG1 4.33Å; V164-V216 HydrophobicContact CG2-CB 4.39Å; V164-V216 HydrophobicContact CG2-CG1 3.99Å; V164-V216 HydrophobicContact CG2-CG2 4.01Å; E214-V216 VanDerWaalsContact O-CG2 3.31Å; E214-V216 WeakPolarHBondContact O-CG2 3.48Å; E214-V216 PolarHBondContact O-N 2.76Å; V216-M218 HydrophobicContact CG1-CE 3.84Å; V216-M218 HydrophobicContact CG1-CG 4.35Å; V216-M218 HydrophobicContact CG1-SD 4.5Å; V216-I232 CarbonylContact O-C 3.56Å; V216-I232 VanDerWaalsContact O-CA 3.31Å; V216-I232 WeakPolarHBondContact O-CA 3.49Å; V216-T233 PolarHBondContact N-O 3.35Å; V216-T233 PolarHBondContact O-N 2.88Å |
| 217 | S | 95.1 | Very high | 91.8 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135 | 164.4 | 69.1 | 0 | 0 | 0 | 0 | 110.9 | Q162 N163 R231 | Q162-S217 CarbonylContact C-O 3.6Å; Q162-S217 WeakPolarHBondContact CA-O 3.42Å; N163-S217 WeakPolarHBondContact CB-OG 3.44Å; N163-S217 PolarHBondContact N-O 3.41Å; N163-S217 PolarHBondContact ND2-OG 2.86Å; N163-S217 VanDerWaalsContact ND2-OG 3.08Å; N163-S217 PolarHBondContact O-N 3.06Å; S217-R231 CarbonylContact C-O 3.46Å; S217-R231 WeakPolarHBondContact CA-O 3.41Å |
| 218 | M | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.9 | 172.4 | -62.1 | -69 | -172.9 | 0 | 0 | 107.6 | I133 I136 V143 V161 Q162 W210 V216 K230 R231 | I133-M218 HydrophobicContact CD1-CB 3.62Å; I133-M218 WeakPolarHBondContact CD1-O 3.5Å; I133-M218 HydrophobicContact CG2-CB 4.33Å; I136-M218 HydrophobicContact CD1-CB 3.94Å; I136-M218 HydrophobicContact CD1-CG 3.43Å; I136-M218 VanDerWaalsContact CD1-CG 3.43Å; I136-M218 HydrophobicContact CG1-CB 4.49Å; I136-M218 HydrophobicContact CG1-CG 3.81Å; I136-M218 HydrophobicContact CG2-CE 4.41Å; V143-M218 HydrophobicContact CB-CE 4.28Å; V143-M218 HydrophobicContact CG2-CG 4.13Å; V161-M218 CarbonylContact O-C 3.57Å; V161-M218 WeakPolarHBondContact O-CA 3.4Å; Q162-M218 HydrophobicContact CB-CE 4.2Å; Q162-M218 HydrophobicContact CB-SD 3.59Å; Q162-M218 VanDerWaalsContact CB-SD 3.59Å; Q162-M218 HydrophobicContact CG-CE 3.92Å; Q162-M218 HydrophobicContact CG-SD 3.87Å; W210-M218 HydrophobicContact CD2-CE 4.47Å; W210-M218 HydrophobicContact CH2-CE 3.66Å; W210-M218 HydrophobicContact CZ2-CE 3.42Å; W210-M218 VanDerWaalsContact CZ2-CE 3.42Å; W210-M218 HydrophobicContact CZ3-CE 4.28Å; V216-M218 HydrophobicContact CG1-CE 3.84Å; V216-M218 HydrophobicContact CG1-CG 4.35Å; V216-M218 HydrophobicContact CG1-SD 4.5Å; M218-K230 CarbonylContact O-C 3.56Å; M218-K230 VanDerWaalsContact O-CA 3.25Å; M218-K230 WeakPolarHBondContact O-CA 3.49Å; M218-R231 PolarHBondContact N-O 3.38Å; M218-R231 PolarHBondContact O-N 3.18Å |
| 219 | V | 98.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.1 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 108 | M160 V161 M221 E227 A229 K230 | M160-V219 CarbonylContact C-O 3.51Å; M160-V219 WeakPolarHBondContact CA-O 3.37Å; V161-V219 HydrophobicContact CB-CB 4.47Å; V161-V219 PolarHBondContact N-O 3.08Å; V161-V219 PolarHBondContact O-N 3.08Å; V219-M221 HydrophobicContact CG1-CG 4.3Å; V219-E227 HydrophobicContact CG1-CB 4.2Å; V219-E227 HydrophobicContact CG1-CG 3.74Å; V219-A229 CarbonylContact C-O 3.55Å; V219-A229 WeakPolarHBondContact CA-O 3.36Å; V219-K230 HydrophobicContact CG2-CB 4.45Å; V219-K230 HydrophobicContact CG2-CD 4.08Å; V219-K230 HydrophobicContact CG2-CG 4Å |
| 220 | L | 98.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.3 | 172 | -175.8 | 66.8 | 0 | 0 | 0 | 108.7 | I131 L145 M155 Y158 M160 F173 V228 A229 | I131-L220 HydrophobicContact CB-CD2 3.88Å; I131-L220 HydrophobicContact CG2-CD2 3.47Å; I131-L220 VanDerWaalsContact CG2-CD2 3.47Å; L145-L220 HydrophobicContact CD1-CD1 4.42Å; M155-L220 HydrophobicContact CE-CD1 4.2Å; M155-L220 HydrophobicContact CE-CD2 4.2Å; Y158-L220 HydrophobicContact CD1-CD1 4.16Å; Y158-L220 HydrophobicContact CD1-CD2 4.29Å; Y158-L220 HydrophobicContact CD1-CG 4.11Å; M160-L220 HydrophobicContact CB-CD1 4.29Å; F173-L220 HydrophobicContact CE2-CD1 3.91Å; L220-V228 HydrophobicContact CB-CG2 4.17Å; L220-V228 HydrophobicContact CD2-CG2 3.94Å; L220-V228 HydrophobicContact CG-CG2 3.83Å; L220-V228 VanDerWaalsContact O-CG2 3.27Å; L220-V228 WeakPolarHBondContact O-CG2 3.38Å; L220-V228 PolarHBondContact O-N 2.97Å; L220-A229 HydrophobicContact CB-CB 4.09Å; L220-A229 PolarHBondContact N-O 3.21Å; L220-A229 PolarHBondContact O-N 3.14Å |
| 221 | M | 97.9 | Very high | 93.2 | Very high | 52 Ų | 52 | 51 Ų | 51 | 26% | 0.256 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138.7 | 176.1 | -57.8 | -170.3 | -52.8 | 0 | 0 | 110.4 | Y158 E159 V161 V219 E226 | Y158-M221 WeakPolarHBondContact CA-O 3.36Å; Y158-M221 WeakPolarHBondContact CD1-O 3.38Å; E159-M221 HydrophobicContact CB-CE 4.13Å; E159-M221 PolarHBondContact N-O 3.48Å; E159-M221 PolarHBondContact O-N 3.08Å; V161-M221 HydrophobicContact CG2-CE 3.5Å; V161-M221 HydrophobicContact CG2-CG 4.45Å; V161-M221 HydrophobicContact CG2-SD 4.09Å; V219-M221 HydrophobicContact CG1-CG 4.3Å; M221-E226 CarbonylContact C-O 3.49Å; M221-E226 VanDerWaalsContact CA-O 3.27Å; M221-E226 WeakPolarHBondContact CA-O 3.46Å |
| 222 | N | 96.3 | Very high | 93.9 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.08 | 29% | 0.289 | C | S | . | . | trans | -77.9 | 170.3 | 172 | 71.8 | 10 | 0 | 0 | 0 | 111.2 | Y158 Q224 G225 E226 V228 | Y158-N222 HydrophobicContact CD1-CB 4.46Å; Y158-N222 HydrophobicContact CE1-CB 4Å; N222-Q224 PolarHBondContact ND2-OE1 2.95Å; N222-Q224 PolarHBondContact O-N 3.32Å; N222-Q224 WeakPolarHBondContact OD1-CA 3.48Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.33Å; N222-Q224 PolarHBondContact OD1-N 2.92Å; N222-Q224 VanDerWaalsContact OD1-N 3.07Å; N222-Q224 PolarHBondContact OD1-OE1 3.21Å; N222-G225 PolarHBondContact O-N 3.28Å; N222-G225 PolarHBondContact OD1-N 3.34Å; N222-E226 PolarHBondContact N-O 3.09Å; N222-E226 PolarHBondContact ND2-OE2 2.85Å; N222-E226 WeakPolarHBondContact OD1-CB 3.39Å; N222-E226 PolarHBondContact OD1-N 3.15Å; N222-E226 PolarHBondContact OD1-O 2.83Å; N222-V228 HydrophobicContact CB-CG1 3.81Å | ||
| 223 | P | 96.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 46% | 0.461 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.5 | 177.2 | -25.5 | 34.4 | 0 | 0 | 0 | 115.2 | V156 G157 Y158 G225 | V156-P223 VanDerWaalsContact O-CG 3.24Å; V156-P223 WeakPolarHBondContact O-CG 3.44Å; G157-P223 WeakPolarHBondContact O-CA 3.35Å; Y158-P223 HydrophobicContact CD2-CG 4.09Å; Y158-P223 HydrophobicContact CE2-CG 4.21Å; P223-G225 VanDerWaalsContact C-N 3.31Å |
| 224 | Q | 94.6 | Very high | 95.1 | Very high | 140 Ų | 140 | 50.1 Ų | 50.1 | 65% | 0.654 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7.8 | 177.2 | -59.7 | 82.5 | -18.5 | 0 | 0 | 112.3 | N222 E226 | N222-Q224 PolarHBondContact ND2-OE1 2.95Å; N222-Q224 PolarHBondContact O-N 3.32Å; N222-Q224 WeakPolarHBondContact OD1-CA 3.48Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.33Å; N222-Q224 PolarHBondContact OD1-N 2.92Å; N222-Q224 VanDerWaalsContact OD1-N 3.07Å; N222-Q224 PolarHBondContact OD1-OE1 3.21Å; Q224-E226 HydrophobicContact CB-CG 4.33Å |
| 225 | G | 92.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 46 Ų | 46 | 57% | 0.567 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 85 | 13.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N222 P223 | N222-G225 PolarHBondContact O-N 3.28Å; N222-G225 PolarHBondContact OD1-N 3.34Å; P223-G225 VanDerWaalsContact C-N 3.31Å |
| 226 | E | 96 | Very high | 94.6 | Very high | 122 Ų | 122 | 48.7 Ų | 48.7 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | trans | -92 | 140.6 | 178 | -52.6 | 172.4 | 150.8 | 0 | 0 | 110.9 | M221 N222 Q224 V228 | M221-E226 CarbonylContact C-O 3.49Å; M221-E226 VanDerWaalsContact CA-O 3.27Å; M221-E226 WeakPolarHBondContact CA-O 3.46Å; N222-E226 PolarHBondContact N-O 3.09Å; N222-E226 PolarHBondContact ND2-OE2 2.85Å; N222-E226 WeakPolarHBondContact OD1-CB 3.39Å; N222-E226 PolarHBondContact OD1-N 3.15Å; N222-E226 PolarHBondContact OD1-O 2.83Å; Q224-E226 HydrophobicContact CB-CG 4.33Å; E226-V228 PolarHBondContact O-N 3.11Å | ||
| 227 | E | 97.4 | Very high | 93.7 | Very high | 92 Ų | 92 | 54.4 Ų | 54.4 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 118.1 | 171.2 | 173.8 | 176.5 | 148.6 | 0 | 0 | 110.1 | V219 K230 | V219-E227 HydrophobicContact CG1-CB 4.2Å; V219-E227 HydrophobicContact CG1-CG 3.74Å; E227-K230 WeakPolarHBondContact OE1-CB 3.24Å; E227-K230 VanDerWaalsContact OE1-CD 3.23Å; E227-K230 WeakPolarHBondContact OE1-CD 3.32Å |
| 228 | V | 97.5 | Very high | 92 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 13% | 0.127 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -19.6 | 178.5 | -67 | 0 | 0 | 0 | 0 | 113.3 | A127 T128 Y158 L220 N222 E226 | A127-V228 CarbonylContact C-O 3.53Å; A127-V228 WeakPolarHBondContact CA-O 3.17Å; T128-V228 PolarHBondContact N-O 3.27Å; Y158-V228 HydrophobicContact CD1-CG2 4.47Å; Y158-V228 HydrophobicContact CE1-CG2 4.07Å; L220-V228 HydrophobicContact CB-CG2 4.17Å; L220-V228 HydrophobicContact CD2-CG2 3.94Å; L220-V228 HydrophobicContact CG-CG2 3.83Å; L220-V228 VanDerWaalsContact O-CG2 3.27Å; L220-V228 WeakPolarHBondContact O-CG2 3.38Å; L220-V228 PolarHBondContact O-N 2.97Å; N222-V228 HydrophobicContact CB-CG1 3.81Å; E226-V228 PolarHBondContact O-N 3.11Å |
| 229 | A | 97.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 151.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | S126 A127 I131 I133 V219 L220 | S126-A229 CarbonylContact O-C 3.57Å; S126-A229 VanDerWaalsContact O-CA 3.23Å; S126-A229 WeakPolarHBondContact O-CA 3.36Å; A127-A229 HydrophobicContact CB-CB 4.12Å; I131-A229 WeakPolarHBondContact O-CB 3.12Å; I133-A229 HydrophobicContact CG1-CB 4.14Å; V219-A229 CarbonylContact C-O 3.55Å; V219-A229 WeakPolarHBondContact CA-O 3.36Å; L220-A229 HydrophobicContact CB-CB 4.09Å; L220-A229 PolarHBondContact N-O 3.21Å; L220-A229 PolarHBondContact O-N 3.14Å |
| 230 | K | 97.6 | Very high | 87.5 | Confident | 64 Ų | 64 | 70.6 Ų | 70.6 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 145.5 | 176.9 | 177.1 | 171.3 | -170.7 | 177.1 | 0 | 110.5 | A125 S126 M218 V219 E227 I232 | A125-K230 CarbonylContact C-O 3.57Å; A125-K230 VanDerWaalsContact CA-O 3.25Å; A125-K230 WeakPolarHBondContact CA-O 3.44Å; S126-K230 PolarHBondContact N-O 3.23Å; S126-K230 PolarHBondContact O-N 2.85Å; M218-K230 CarbonylContact O-C 3.56Å; M218-K230 VanDerWaalsContact O-CA 3.25Å; M218-K230 WeakPolarHBondContact O-CA 3.49Å; V219-K230 HydrophobicContact CG2-CB 4.45Å; V219-K230 HydrophobicContact CG2-CD 4.08Å; V219-K230 HydrophobicContact CG2-CG 4Å; E227-K230 WeakPolarHBondContact OE1-CB 3.24Å; E227-K230 VanDerWaalsContact OE1-CD 3.23Å; E227-K230 WeakPolarHBondContact OE1-CD 3.32Å; K230-I232 HydrophobicContact CG-CG1 4.3Å |
| 231 | R | 97.3 | Very high | 84.7 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 17% | 0.17 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 138.8 | 169.3 | -175.1 | 169.4 | -171.3 | 135.4 | -9.8 | 110.1 | S124 A125 I133 D134 I136 S217 M218 | S124-R231 CarbonylContact O-C 3.56Å; S124-R231 VanDerWaalsContact O-CA 3.22Å; S124-R231 WeakPolarHBondContact O-CA 3.31Å; A125-R231 HydrophobicContact CB-CB 4.23Å; A125-R231 HydrophobicContact CB-CG 4.07Å; I133-R231 HydrophobicContact CB-CB 3.78Å; I133-R231 HydrophobicContact CD1-CB 4.36Å; I133-R231 HydrophobicContact CG2-CB 3.79Å; I133-R231 VanDerWaalsContact O-CD 3.29Å; I133-R231 WeakPolarHBondContact O-CD 3.21Å; I133-R231 PolarHBondContact O-NH1 3.2Å; D134-R231 PolarHBondContact O-NH1 3.3Å; D134-R231 PolarHBondContact O-NH2 3.27Å; I136-R231 HydrophobicContact CD1-CB 3.9Å; I136-R231 HydrophobicContact CD1-CG 3.72Å; I136-R231 HydrophobicContact CG1-CG 4.27Å; S217-R231 CarbonylContact C-O 3.46Å; S217-R231 WeakPolarHBondContact CA-O 3.41Å; M218-R231 PolarHBondContact N-O 3.38Å; M218-R231 PolarHBondContact O-N 3.18Å |
| 232 | I | 94.6 | Very high | 82 | Confident | 45 Ų | 45 | 82.2 Ų | 82.2 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.7 | -179.9 | -50.2 | 176.1 | 0 | 0 | 0 | 107 | H123 S124 V216 K230 K234 | H123-I232 CarbonylContact C-O 3.59Å; H123-I232 WeakPolarHBondContact CA-O 3.36Å; S124-I232 PolarHBondContact N-O 3.01Å; S124-I232 PolarHBondContact O-N 2.89Å; V216-I232 CarbonylContact O-C 3.56Å; V216-I232 VanDerWaalsContact O-CA 3.31Å; V216-I232 WeakPolarHBondContact O-CA 3.49Å; K230-I232 HydrophobicContact CG-CG1 4.3Å; I232-K234 HydrophobicContact CG2-CG 3.82Å |
| 233 | T | 92.9 | Very high | 79.8 | Confident | 1 Ų | 1 | 90.4 Ų | 90.4 | 1% | 0.006 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120.1 | 167.9 | -62 | 0 | 0 | 0 | 0 | 107 | I121 A122 H123 D215 V216 Y235 | I121-T233 HydrophobicContact CG2-CG2 3.64Å; A122-T233 WeakPolarHBondContact O-CA 3.46Å; H123-T233 PolarHBondContact CE1-OG1 3.31Å; H123-T233 PolarHBondContact ND1-OG1 2.92Å; D215-T233 WeakPolarHBondContact CA-O 3.28Å; V216-T233 PolarHBondContact N-O 3.35Å; V216-T233 PolarHBondContact O-N 2.88Å; T233-Y235 HydrophobicContact CG2-CD2 4.36Å; T233-Y235 HydrophobicContact CG2-CE2 3.68Å |
| 234 | K | 90.1 | Very high | 77.1 | Confident | 98 Ų | 98 | 89.1 Ų | 89.1 | 43% | 0.426 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.3 | 177.5 | -61.2 | -164.8 | 174.3 | -173.1 | 0 | 111.2 | I121 A122 D215 I232 | I121-K234 WeakPolarHBondContact CA-O 3.43Å; A122-K234 PolarHBondContact N-O 2.87Å; A122-K234 PolarHBondContact O-N 3.03Å; D215-K234 WeakPolarHBondContact OD1-CA 3.39Å; D215-K234 WeakPolarHBondContact OD2-CG 3.3Å; I232-K234 HydrophobicContact CG2-CG 3.82Å |
| 235 | Y | 86.3 | Confident | 74.5 | Confident | 29 Ų | 29 | 89.3 Ų | 89.3 | 11% | 0.114 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.7 | 176.3 | -63.8 | -96 | 0 | 0 | 0 | 108.6 | V119 I121 T138 G213 E214 D215 T233 | V119-Y235 HydrophobicContact CG2-CD1 4.17Å; I121-Y235 HydrophobicContact CD1-CD1 4.1Å; I121-Y235 HydrophobicContact CD1-CE1 3.66Å; I121-Y235 HydrophobicContact CG1-CD1 3.76Å; I121-Y235 HydrophobicContact CG1-CE1 3.82Å; I121-Y235 HydrophobicContact CG2-CE1 4.33Å; T138-Y235 VanDerWaalsContact CA-OH 3.31Å; T138-Y235 WeakPolarHBondContact CA-OH 3.37Å; T138-Y235 PolarHBondContact O-OH 3.42Å; G213-Y235 WeakPolarHBondContact O-CB 2.97Å; E214-Y235 VanDerWaalsContact C-CD2 3.4Å; E214-Y235 WeakPolarHBondContact O-CD2 3.5Å; E214-Y235 WeakPolarHBondContact O-CE2 3.23Å; D215-Y235 PolarHBondContact OD1-N 3.06Å; T233-Y235 HydrophobicContact CG2-CD2 4.36Å; T233-Y235 HydrophobicContact CG2-CE2 3.68Å |
| 236 | K | 80.1 | Confident | 72.1 | Confident | 131 Ų | 131 | 96.4 Ų | 96.4 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 115.2 | 172.7 | -68.8 | -178.9 | -179.1 | -176.6 | 0 | 108 | V119 S120 | V119-K236 CarbonylContact C-O 3.6Å; V119-K236 WeakPolarHBondContact CA-O 3.48Å; S120-K236 PolarHBondContact N-O 3Å; S120-K236 PolarHBondContact O-N 2.98Å; S120-K236 WeakPolarHBondContact OG-CB 3.38Å; S120-K236 PolarHBondContact OG-O 2.86Å |
| 237 | I | 72.8 | Confident | 69.4 | Low | 123 Ų | 123 | 97.2 Ų | 97.2 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 121.8 | 165.5 | -58.1 | 168.8 | 0 | 0 | 0 | 105.3 | E239 | I237-E239 PolarHBondContact O-N 2.99Å |
| 238 | A | 60.1 | Low | 67.2 | Low | 44 Ų | 44 | 100 Ų | 100 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | trans | -64.4 | 115.7 | 165 | 0 | 0 | 0 | 0 | 0 | 106.9 | S118 E240 | S118-A238 WeakPolarHBondContact O-CB 2.98Å; S118-A238 PolarHBondContact O-N 2.83Å; S118-A238 VanDerWaalsContact O-N 3.14Å; S118-A238 WeakPolarHBondContact OG-CB 3.33Å; A238-E240 PolarHBondContact O-N 2.99Å | ||
| 239 | E | 51.8 | Low | 64.5 | Low | 176 Ų | 176 | 109.8 Ų | 109.8 | 82% | 0.822 | 55% | 0.545 | S | S | * | . | trans | -63.4 | 119.1 | 165.2 | -66.6 | -175.1 | 166.6 | 0 | 0 | 106.1 | I237 D241 | I237-E239 PolarHBondContact O-N 2.99Å; E239-D241 PolarHBondContact O-N 3.2Å; E239-D241 VanDerWaalsContact O-N 3.08Å | ||
| 240 | E | 48 | Very low | 61.8 | Low | 157 Ų | 157 | 113.1 Ų | 113.1 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | trans | -60.9 | 110.2 | 163.8 | -70.2 | 176.4 | 179.2 | 0 | 0 | 105.6 | A238 D242 | A238-E240 PolarHBondContact O-N 2.99Å; E240-D242 VanDerWaalsContact C-N 3.29Å; E240-D242 PolarHBondContact O-N 3.02Å | ||
| 241 | D | 40.8 | Very low | 59 | Low | 143 Ų | 143 | 118.3 Ų | 118.3 | 77% | 0.765 | 61% | 0.608 | S | S | * | * | trans | -57 | 100.8 | 165.1 | -78.9 | -36.4 | 0 | 0 | 0 | 106.5 | E239 Q243 | E239-D241 PolarHBondContact O-N 3.2Å; E239-D241 VanDerWaalsContact O-N 3.08Å; D241-Q243 PolarHBondContact O-N 3.12Å | ||
| 242 | D | 40.6 | Very low | 56.7 | Low | 153 Ų | 153 | 125.4 Ų | 125.4 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | trans | -64.1 | 80.4 | 167.1 | -171 | 35.7 | 0 | 0 | 0 | 107.5 | E240 G244 | E240-D242 VanDerWaalsContact C-N 3.29Å; E240-D242 PolarHBondContact O-N 3.02Å; D242-G244 PolarHBondContact O-N 3.24Å | ||
| 243 | Q | 51.4 | Low | 54.4 | Low | 187 Ų | 187 | 127.8 Ų | 127.8 | 87% | 0.874 | 67% | 0.669 | S | S | * | * | trans | -73.7 | 76.2 | 160.4 | -85.7 | 173.3 | 2 | 0 | 0 | 107.6 | D241 | D241-Q243 PolarHBondContact O-N 3.12Š| ||
| 244 | G | 38.6 | Very low | 52.1 | Low | 45 Ų | 45 | 135.1 Ų | 135.1 | 46% | 0.464 | 71% | 0.707 | S | S | . | * | trans | -118.6 | 91.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | D242 | D242-G244 PolarHBondContact O-N 3.24Š| ||
| 245 | D | 40.7 | Very low | 49.9 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | 57.7 | 81 | 155.8 | -53.3 | -29.3 | 0 | 0 | 0 | 118.3 | D247 | D245-D247 VanDerWaalsContact C-N 3.3Å; D245-D247 PolarHBondContact O-N 3.23Å; D245-D247 VanDerWaalsContact O-N 3.11Å | ||
| 246 | E | 42.1 | Very low | 47.9 | Very low | 203 Ų | 203 | 147.1 Ų | 147.1 | 95% | 0.949 | 76% | 0.762 | S | S | * | * | trans | -72.8 | 92.6 | 147.6 | -84.1 | -170.9 | 165.8 | 0 | 0 | 108.4 | D248 | E246-D248 PolarHBondContact O-N 3.14Š| ||
| 247 | D | 38.3 | Very low | 46 | Very low | 139 Ų | 139 | 147 Ų | 147 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -55.8 | 107.8 | 162.8 | -67.9 | -30.2 | 0 | 0 | 0 | 109.3 | D245 Y249 | D245-D247 VanDerWaalsContact C-N 3.3Å; D245-D247 PolarHBondContact O-N 3.23Å; D245-D247 VanDerWaalsContact O-N 3.11Å; D247-Y249 VanDerWaalsContact C-N 3.33Å; D247-Y249 PolarHBondContact O-N 3.37Å | ||
| 248 | D | 50.9 | Low | 44.6 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -52.8 | 88.9 | 164.2 | 174 | 43.6 | 0 | 0 | 0 | 110.7 | E246 | E246-D248 PolarHBondContact O-N 3.14Š| ||
| 249 | Y | 42.2 | Very low | 43.9 | Very low | 226 Ų | 226 | 152.5 Ų | 152.5 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | trans | -147.1 | 98.7 | 162.5 | -87.5 | -76.9 | 0 | 0 | 0 | 111.3 | D247 | D247-Y249 VanDerWaalsContact C-N 3.33Å; D247-Y249 PolarHBondContact O-N 3.37Å | ||
| 250 | G | 39.6 | Very low | 43.6 | Very low | 70 Ų | 70 | 151.8 Ų | 151.8 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 121.3 | 59.8 | 142.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 251 | I | 40.8 | Very low | 43.6 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -111.6 | 72.8 | 152.4 | -52.4 | -171.1 | 0 | 0 | 0 | 109.4 | ||||
| 252 | E | 47.7 | Very low | 43.7 | Very low | 194 Ų | 194 | 153 Ų | 153 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -144.3 | 75.1 | 160.3 | -83 | -159.2 | 155.7 | 0 | 0 | 109.7 | ||||
| 253 | A | 46.6 | Very low | 43.9 | Very low | 95 Ų | 95 | 151.7 Ų | 151.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -159.5 | -0.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 254 | I | 45.3 | Very low | 43.7 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -119.7 | -8.3 | -171.2 | -56.5 | -178.6 | 0 | 0 | 0 | 114.2 | ||
| 255 | E | 43.2 | Very low | 44.1 | Very low | 191 Ų | 191 | 153.4 Ų | 153.4 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 11.1 | -179.3 | -140.2 | 175.3 | -168.3 | 0 | 0 | 115.5 | ||
| 256 | K | 43.4 | Very low | 44.4 | Very low | 188 Ų | 188 | 151 Ų | 151 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -9.5 | 174.2 | -90.7 | -178.7 | 179 | 167.3 | 0 | 116.3 | ||
| 257 | D | 40.4 | Very low | 44.8 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -100 | -10.1 | -176.6 | -105.1 | 8.8 | 0 | 0 | 0 | 115.2 | ||
| 258 | L | 44 | Very low | 45.6 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -91.5 | -12.2 | 178.6 | -114.3 | 73 | 0 | 0 | 0 | 115 | ||
| 259 | Q | 46 | Very low | 45.6 | Very low | 139 Ų | 139 | 153.3 Ų | 153.3 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -95.1 | -13.7 | 179.8 | -157.6 | 61.2 | 23.5 | 0 | 0 | 113.4 | ||
| 260 | Q | 45.4 | Very low | 45.4 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -92 | -7.1 | -180 | -142.1 | 156.1 | 44.4 | 0 | 0 | 114 | ||
| 261 | Q | 46.8 | Very low | 45.4 | Very low | 157 Ų | 157 | 148.7 Ų | 148.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -99.5 | -6.6 | 179.7 | -145.2 | 176.6 | 3.9 | 0 | 0 | 114.6 | ||
| 262 | K | 44.7 | Very low | 45.2 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -93.4 | -17.8 | 175.9 | -86.4 | -177 | 175.8 | 173.3 | 0 | 115.1 | ||
| 263 | D | 43.9 | Very low | 44.8 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -93.9 | -9.4 | -179.1 | -71.2 | -21.1 | 0 | 0 | 0 | 114.3 | ||
| 264 | A | 47.4 | Very low | 44.4 | Very low | 84 Ų | 84 | 150.7 Ų | 150.7 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -82.3 | -13.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 265 | H | 47.9 | Very low | 44.4 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -103.9 | -6.6 | -173.9 | -112.9 | -72.3 | 0 | 0 | 0 | 115.4 | ||
| 266 | A | 46.2 | Very low | 44.4 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -98 | -10.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 267 | A | 50.6 | Low | 44.5 | Very low | 83 Ų | 83 | 146.2 Ų | 146.2 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -114.2 | 62.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 268 | K | 54.3 | Low | 44.7 | Very low | 204 Ų | 204 | 147.2 Ų | 147.2 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -164.2 | 55.4 | 166 | -112.2 | 165.4 | -165.5 | -179.7 | 0 | 114.3 | ||||
| 269 | R | 52 | Low | 44.8 | Very low | 256 Ų | 256 | 147.4 Ų | 147.4 | 97% | 0.966 | 80% | 0.797 | S | S | * | * | trans | -144 | 97.6 | 154.8 | -68.3 | -165.9 | -174.1 | -159.5 | 1.9 | 109.7 | ||||
| 270 | G | 37.5 | Very low | 44.7 | Very low | 78 Ų | 78 | 148 Ų | 148 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 175.6 | 86.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 271 | C | 39.6 | Very low | 44.6 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 74.3 | 122.5 | 147.5 | -144.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 272 | S | 36.6 | Very low | 44.5 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | 166.1 | 99.9 | 117.2 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 273 | I | 39.2 | Very low | 44.4 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 72% | 0.723 | 82% | 0.823 | S | S | * | * | 64.3 | 111.3 | 98.8 | -63 | 164.5 | 0 | 0 | 0 | 113.7 | |||||
| 274 | M | 38.1 | Very low | 44.5 | Very low | 261 Ų | 261 | 146.3 Ų | 146.3 | 100% | 1.286 | 84% | 0.837 | S | S | * | * | -159.6 | 0 | 123.2 | -96.6 | -177.5 | -154.3 | 0 | 0 | 109 |
Retrieved 274 of 274 residues in 235.8 ms
(Link to these results)