| 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 | F | 61.6 | Low | 83.6 | Confident | 111 Ų | 111 | 100.1 Ų | 100.1 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | 0 | -25.2 | 0 | -85.4 | -83.8 | 0 | 0 | 0 | 116.5 | A3 A4 R5 V42 Q44 | F1-A3 PolarHBondContact O-N 3.1Å; F1-A4 PolarHBondContact O-N 2.99Å; F1-R5 WeakPolarHBondContact O-CB 3.31Å; F1-R5 PolarHBondContact O-N 3.22Å; F1-V42 HydrophobicContact CD2-CG1 4.42Å; F1-V42 HydrophobicContact CE1-CG1 4.28Å; F1-V42 HydrophobicContact CE2-CB 4.28Å; F1-V42 HydrophobicContact CE2-CG1 3.29Å; F1-V42 HydrophobicContact CZ-CB 3.77Å; F1-V42 HydrophobicContact CZ-CG1 3.22Å; F1-Q44 HydrophobicContact CD2-CG 3.7Å; F1-Q44 HydrophobicContact CE2-CB 4.43Å; F1-Q44 HydrophobicContact CE2-CG 3.26Å; F1-Q44 HydrophobicContact CZ-CG 3.96Å | |||
| 2 | K | 74.1 | Confident | 84 | Confident | 175 Ų | 175 | 102.8 Ų | 102.8 | 76% | 0.761 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.5 | -47.4 | -178.6 | -82.9 | -177.8 | 177.7 | 176.7 | 0 | 114 | R5 L6 | K2-R5 PolarHBondContact O-N 3.28Å; K2-L6 WeakPolarHBondContact O-CG 3.27Å; K2-L6 PolarHBondContact O-N 3.1Å |
| 3 | A | 78.8 | Confident | 84.8 | Confident | 78 Ų | 78 | 105 Ų | 105 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -48.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1 R5 L6 Q7 | F1-A3 PolarHBondContact O-N 3.1Å; A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 2.77Å; A3-L6 WeakPolarHBondContact O-CB 3.31Å; A3-L6 PolarHBondContact O-N 3.49Å; A3-L6 VanDerWaalsContact O-N 3.14Å; A3-Q7 PolarHBondContact O-N 3.39Å |
| 4 | A | 80.9 | Confident | 85.5 | Confident | 37 Ų | 37 | 107.3 Ų | 107.3 | 31% | 0.306 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1 L6 Q7 I8 | F1-A4 PolarHBondContact O-N 2.99Å; A4-L6 VanDerWaalsContact C-N 3.34Å; A4-L6 PolarHBondContact O-N 2.72Å; A4-Q7 PolarHBondContact O-N 3.41Å; A4-I8 VanDerWaalsContact O-CG1 3.28Å; A4-I8 WeakPolarHBondContact O-CG1 3.41Å; A4-I8 PolarHBondContact O-N 2.8Å |
| 5 | R | 84.6 | Confident | 85.9 | Confident | 160 Ų | 160 | 104.7 Ų | 104.7 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 176.3 | -168.9 | -179.9 | 76.4 | 142.5 | 2.6 | 112.3 | F1 K2 A3 N9 | F1-R5 WeakPolarHBondContact O-CB 3.31Å; F1-R5 PolarHBondContact O-N 3.22Å; K2-R5 PolarHBondContact O-N 3.28Å; A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 2.77Å; R5-N9 WeakPolarHBondContact O-CB 3.49Å; R5-N9 PolarHBondContact O-N 3.26Å; R5-N9 PolarHBondContact O-ND2 3.47Å |
| 6 | L | 89.3 | Confident | 86.3 | Confident | 105 Ų | 105 | 111.3 Ų | 111.3 | 55% | 0.55 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 176.5 | -73 | 168.5 | 0 | 0 | 0 | 110.9 | K2 A3 A4 I8 N9 E10 | K2-L6 WeakPolarHBondContact O-CG 3.27Å; K2-L6 PolarHBondContact O-N 3.1Å; A3-L6 WeakPolarHBondContact O-CB 3.31Å; A3-L6 PolarHBondContact O-N 3.49Å; A3-L6 VanDerWaalsContact O-N 3.14Å; A4-L6 VanDerWaalsContact C-N 3.34Å; A4-L6 PolarHBondContact O-N 2.72Å; L6-I8 PolarHBondContact O-N 3.35Å; L6-N9 PolarHBondContact O-N 2.99Å; L6-E10 WeakPolarHBondContact O-CG 3.29Å; L6-E10 PolarHBondContact O-N 3.31Å |
| 7 | Q | 89 | Confident | 86.9 | Confident | 131 Ų | 131 | 113.2 Ų | 113.2 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.3 | -46.4 | 179.4 | -173.6 | 173.8 | 1.6 | 0 | 0 | 112 | A3 A4 N9 E10 E11 | A3-Q7 PolarHBondContact O-N 3.39Å; A4-Q7 PolarHBondContact O-N 3.41Å; Q7-N9 VanDerWaalsContact C-N 3.33Å; Q7-N9 PolarHBondContact O-N 3.43Å; Q7-E10 PolarHBondContact O-N 3.48Å; Q7-E11 WeakPolarHBondContact O-CG 3.4Å; Q7-E11 PolarHBondContact O-N 3.31Å |
| 8 | I | 87.3 | Confident | 87.4 | Confident | 64 Ų | 64 | 110.4 Ų | 110.4 | 33% | 0.328 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.6 | -50.3 | 175.3 | -69.6 | 166 | 0 | 0 | 0 | 110.1 | A4 L6 E10 E11 F12 L38 | A4-I8 VanDerWaalsContact O-CG1 3.28Å; A4-I8 WeakPolarHBondContact O-CG1 3.41Å; A4-I8 PolarHBondContact O-N 2.8Å; L6-I8 PolarHBondContact O-N 3.35Å; I8-E10 VanDerWaalsContact C-N 3.32Å; I8-E10 PolarHBondContact O-N 2.98Å; I8-E11 PolarHBondContact O-N 3.26Å; I8-F12 HydrophobicContact CG2-CD2 3.68Å; I8-F12 HydrophobicContact CG2-CE2 3.68Å; I8-F12 VanDerWaalsContact O-CD2 3.28Å; I8-F12 WeakPolarHBondContact O-CD2 3.48Å; I8-F12 PolarHBondContact O-N 2.88Å; I8-L38 HydrophobicContact CD1-CD1 4.29Å |
| 9 | N | 89.3 | Confident | 87.9 | Confident | 71 Ų | 71 | 111.5 Ų | 111.5 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | -179.4 | -71.7 | -10 | 0 | 0 | 0 | 112.9 | R5 L6 Q7 K13 | R5-N9 WeakPolarHBondContact O-CB 3.49Å; R5-N9 PolarHBondContact O-N 3.26Å; R5-N9 PolarHBondContact O-ND2 3.47Å; L6-N9 PolarHBondContact O-N 2.99Å; Q7-N9 VanDerWaalsContact C-N 3.33Å; Q7-N9 PolarHBondContact O-N 3.43Å; N9-K13 VanDerWaalsContact O-CG 3.27Å; N9-K13 WeakPolarHBondContact O-CG 3.33Å; N9-K13 PolarHBondContact O-N 2.83Å |
| 10 | E | 94.3 | Very high | 88.4 | Confident | 86 Ų | 86 | 108.1 Ų | 108.1 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 176.6 | -71.6 | -56.8 | 122 | 0 | 0 | 111.8 | L6 Q7 I8 F12 K13 K14 | L6-E10 WeakPolarHBondContact O-CG 3.29Å; L6-E10 PolarHBondContact O-N 3.31Å; Q7-E10 PolarHBondContact O-N 3.48Å; I8-E10 VanDerWaalsContact C-N 3.32Å; I8-E10 PolarHBondContact O-N 2.98Å; E10-F12 PolarHBondContact O-N 3.16Å; E10-K13 PolarHBondContact O-N 3.38Å; E10-K13 IonicContact OE1-NZ 2.72Å; E10-K13 PolarHBondContact OE1-NZ 2.97Å; E10-K14 VanDerWaalsContact O-CG 3.31Å; E10-K14 WeakPolarHBondContact O-CG 3.28Å; E10-K14 PolarHBondContact O-N 3.38Å |
| 11 | E | 90.4 | Very high | 88.8 | Confident | 83 Ų | 83 | 110 Ų | 110 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 175.2 | -66.6 | -50.8 | 131 | 0 | 0 | 112.1 | Q7 I8 K13 K14 N15 | Q7-E11 WeakPolarHBondContact O-CG 3.4Å; Q7-E11 PolarHBondContact O-N 3.31Å; I8-E11 PolarHBondContact O-N 3.26Å; E11-K13 PolarHBondContact O-N 2.95Å; E11-K14 PolarHBondContact O-N 3.41Å; E11-K14 IonicContact OE1-NZ 3.88Å; E11-K14 PolarHBondContact OE1-NZ 3.22Å; E11-K14 IonicContact OE2-NZ 2.77Å; E11-N15 PolarHBondContact O-N 3.41Å; E11-N15 PolarHBondContact O-ND2 3.5Å |
| 12 | F | 88.8 | Confident | 90.5 | Very high | 132 Ų | 132 | 110.1 Ų | 110.1 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.2 | -39.8 | 174.1 | -85.7 | -78.5 | 0 | 0 | 0 | 112.6 | I8 E10 N15 R16 | I8-F12 HydrophobicContact CG2-CD2 3.68Å; I8-F12 HydrophobicContact CG2-CE2 3.68Å; I8-F12 VanDerWaalsContact O-CD2 3.28Å; I8-F12 WeakPolarHBondContact O-CD2 3.48Å; I8-F12 PolarHBondContact O-N 2.88Å; E10-F12 PolarHBondContact O-N 3.16Å; F12-N15 PolarHBondContact O-N 3.02Å; F12-R16 PolarHBondContact O-N 3.47Å |
| 13 | K | 93.9 | Very high | 91.6 | Very high | 132 Ų | 132 | 104.7 Ų | 104.7 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 177.4 | -76.4 | 173.9 | -168.7 | 170 | 0 | 112.4 | N9 E10 E11 N15 R16 | N9-K13 VanDerWaalsContact O-CG 3.27Å; N9-K13 WeakPolarHBondContact O-CG 3.33Å; N9-K13 PolarHBondContact O-N 2.83Å; E10-K13 PolarHBondContact O-N 3.38Å; E10-K13 IonicContact OE1-NZ 2.72Å; E10-K13 PolarHBondContact OE1-NZ 2.97Å; E11-K13 PolarHBondContact O-N 2.95Å; K13-N15 PolarHBondContact O-N 2.99Å; K13-R16 VanDerWaalsContact O-CB 3.31Å; K13-R16 WeakPolarHBondContact O-CB 3.45Å; K13-R16 PolarHBondContact O-N 3.23Å |
| 14 | K | 94.6 | Very high | 92.4 | Very high | 137 Ų | 137 | 104 Ų | 104 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.6 | -35.8 | 179 | -74.2 | 171.3 | -173 | 173.1 | 0 | 112 | E10 E11 | E10-K14 VanDerWaalsContact O-CG 3.31Å; E10-K14 WeakPolarHBondContact O-CG 3.28Å; E10-K14 PolarHBondContact O-N 3.38Å; E11-K14 PolarHBondContact O-N 3.41Å; E11-K14 IonicContact OE1-NZ 3.88Å; E11-K14 PolarHBondContact OE1-NZ 3.22Å; E11-K14 IonicContact OE2-NZ 2.77Å |
| 15 | N | 92.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 107.8 Ų | 107.8 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 7.4 | -176.1 | -63.3 | -65.1 | 0 | 0 | 0 | 114 | E11 F12 K13 N17 E18 M27 | E11-N15 PolarHBondContact O-N 3.41Å; E11-N15 PolarHBondContact O-ND2 3.5Å; F12-N15 PolarHBondContact O-N 3.02Å; K13-N15 PolarHBondContact O-N 2.99Å; N15-N17 PolarHBondContact O-N 3.45Å; N15-N17 VanDerWaalsContact O-N 3.1Å; N15-E18 WeakPolarHBondContact O-CB 3.46Å; N15-E18 PolarHBondContact O-N 3.06Å; N15-E18 VanDerWaalsContact O-N 3.1Å; N15-M27 HydrophobicContact CB-CE 4.08Å; N15-M27 HydrophobicContact CB-SD 3.48Å; N15-M27 WeakPolarHBondContact CB-SD 3.47Å |
| 16 | R | 92.6 | Very high | 93.7 | Very high | 210 Ų | 210 | 105.8 Ų | 105.8 | 79% | 0.792 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.4 | -174.3 | -178.5 | 179.7 | 179 | -161.5 | -0.4 | 114.5 | F12 K13 | F12-R16 PolarHBondContact O-N 3.47Å; K13-R16 VanDerWaalsContact O-CB 3.31Å; K13-R16 WeakPolarHBondContact O-CB 3.45Å; K13-R16 PolarHBondContact O-N 3.23Å |
| 17 | N | 96.2 | Very high | 93.9 | Very high | 144 Ų | 144 | 103.4 Ų | 103.4 | 77% | 0.77 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 9.9 | -175.9 | -58.8 | -28.8 | 0 | 0 | 0 | 112.8 | N15 | N15-N17 PolarHBondContact O-N 3.45Å; N15-N17 VanDerWaalsContact O-N 3.1Å |
| 18 | E | 96.2 | Very high | 94.1 | Very high | 64 Ų | 64 | 102.5 Ų | 102.5 | 30% | 0.299 | 49% | 0.493 | S | S | . | . | trans | -64.2 | 136.8 | 172.3 | 179.1 | 58.6 | -88.9 | 0 | 0 | 109.9 | N15 S20 N23 I24 M27 | N15-E18 WeakPolarHBondContact O-CB 3.46Å; N15-E18 PolarHBondContact O-N 3.06Å; N15-E18 VanDerWaalsContact O-N 3.1Å; E18-S20 VanDerWaalsContact OE1-CB 3.28Å; E18-S20 WeakPolarHBondContact OE1-CB 3.28Å; E18-S20 PolarHBondContact OE1-N 2.99Å; E18-N23 HydrophobicContact CG-CB 3.91Å; E18-N23 WeakPolarHBondContact OE2-CB 3.33Å; E18-N23 PolarHBondContact OE2-ND2 3.15Å; E18-I24 HydrophobicContact CG-CG1 3.96Å; E18-M27 HydrophobicContact CB-CE 3.93Å; E18-M27 HydrophobicContact CG-CE 3.73Å | ||
| 19 | T | 96.4 | Very high | 94.5 | Very high | 131 Ų | 131 | 106 Ų | 106 | 80% | 0.804 | 51% | 0.506 | S | S | * | . | trans | -123.5 | -9.7 | -178.3 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | E21 | T19-E21 PolarHBondContact O-N 2.95Š| ||
| 20 | S | 97.9 | Very high | 94.7 | Very high | 42 Ų | 42 | 108.8 Ų | 108.8 | 29% | 0.294 | 52% | 0.518 | S | S | . | . | trans | -73.3 | 116.1 | 174.1 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | E18 E22 N23 I24 | E18-S20 VanDerWaalsContact OE1-CB 3.28Å; E18-S20 WeakPolarHBondContact OE1-CB 3.28Å; E18-S20 PolarHBondContact OE1-N 2.99Å; S20-E22 VanDerWaalsContact C-N 3.31Å; S20-E22 PolarHBondContact O-N 3.34Å; S20-N23 PolarHBondContact O-N 2.97Å; S20-N23 VanDerWaalsContact O-N 3.16Å; S20-N23 PolarHBondContact OG-N 2.9Å; S20-I24 VanDerWaalsContact O-CG1 3.29Å; S20-I24 WeakPolarHBondContact O-CG1 3.47Å; S20-I24 PolarHBondContact O-N 2.63Å | ||
| 21 | E | 97 | Very high | 94.6 | Very high | 148 Ų | 148 | 106.1 Ų | 106.1 | 69% | 0.692 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -55.8 | -45.4 | 177.8 | -173.1 | 170.3 | -164 | 0 | 0 | 111.6 | T19 N23 I24 E25 | T19-E21 PolarHBondContact O-N 2.95Å; E21-N23 VanDerWaalsContact C-N 3.32Å; E21-N23 PolarHBondContact O-N 2.94Å; E21-I24 PolarHBondContact O-N 3.41Å; E21-I24 VanDerWaalsContact O-N 3.17Å; E21-E25 WeakPolarHBondContact O-CG 3.32Å; E21-E25 PolarHBondContact O-N 2.98Å |
| 22 | E | 97.6 | Very high | 94.8 | Very high | 115 Ų | 115 | 105.2 Ų | 105.2 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 178 | -172.1 | -170.1 | 163.6 | 0 | 0 | 112.2 | S20 K26 | S20-E22 VanDerWaalsContact C-N 3.31Å; S20-E22 PolarHBondContact O-N 3.34Å; E22-K26 WeakPolarHBondContact O-CG 3.42Å; E22-K26 PolarHBondContact O-N 3.19Å; E22-K26 VanDerWaalsContact O-N 3.15Å; E22-K26 WeakPolarHBondContact OE1-CE 3.32Å; E22-K26 IonicContact OE1-NZ 2.63Å; E22-K26 PolarHBondContact OE1-NZ 3.41Å |
| 23 | N | 95.5 | Very high | 95 | Very high | 60 Ų | 60 | 103.1 Ų | 103.1 | 32% | 0.321 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.5 | -38.7 | 178.8 | -71.9 | -11.2 | 0 | 0 | 0 | 111.3 | E18 S20 E21 K26 M27 | E18-N23 HydrophobicContact CG-CB 3.91Å; E18-N23 WeakPolarHBondContact OE2-CB 3.33Å; E18-N23 PolarHBondContact OE2-ND2 3.15Å; S20-N23 PolarHBondContact O-N 2.97Å; S20-N23 VanDerWaalsContact O-N 3.16Å; S20-N23 PolarHBondContact OG-N 2.9Å; E21-N23 VanDerWaalsContact C-N 3.32Å; E21-N23 PolarHBondContact O-N 2.94Å; N23-K26 PolarHBondContact O-N 3.17Å; N23-M27 WeakPolarHBondContact O-CG 3.28Å; N23-M27 PolarHBondContact O-N 3.34Å |
| 24 | I | 95.6 | Very high | 94.9 | Very high | 63 Ų | 63 | 99.8 Ų | 99.8 | 32% | 0.323 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 176.6 | -68.6 | 163.9 | 0 | 0 | 0 | 110.2 | E18 S20 E21 K26 M27 I28 | E18-I24 HydrophobicContact CG-CG1 3.96Å; S20-I24 VanDerWaalsContact O-CG1 3.29Å; S20-I24 WeakPolarHBondContact O-CG1 3.47Å; S20-I24 PolarHBondContact O-N 2.63Å; E21-I24 PolarHBondContact O-N 3.41Å; E21-I24 VanDerWaalsContact O-N 3.17Å; I24-K26 VanDerWaalsContact C-N 3.34Å; I24-K26 PolarHBondContact O-N 3.46Å; I24-M27 HydrophobicContact CG1-CE 4.21Å; I24-M27 PolarHBondContact O-N 3.37Å; I24-I28 HydrophobicContact CG2-CD1 3.77Å; I24-I28 HydrophobicContact CG2-CG1 4.39Å; I24-I28 WeakPolarHBondContact O-CG1 3.47Å; I24-I28 PolarHBondContact O-N 3.14Å |
| 25 | E | 96.9 | Very high | 94.7 | Very high | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59 | -44.5 | 177.1 | -72.7 | -176.4 | 166.6 | 0 | 0 | 112.2 | E21 M27 I28 K29 | E21-E25 WeakPolarHBondContact O-CG 3.32Å; E21-E25 PolarHBondContact O-N 2.98Å; E25-M27 VanDerWaalsContact C-N 3.34Å; E25-M27 PolarHBondContact O-N 3.36Å; E25-I28 PolarHBondContact O-N 3.21Å; E25-K29 WeakPolarHBondContact O-CB 3.35Å; E25-K29 PolarHBondContact O-N 3.48Å |
| 26 | K | 95.9 | Very high | 94.5 | Very high | 117 Ų | 117 | 97.1 Ų | 97.1 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 176.2 | -73.7 | 172.8 | -173.5 | 167.1 | 0 | 112 | E22 N23 I24 K29 M30 | E22-K26 WeakPolarHBondContact O-CG 3.42Å; E22-K26 PolarHBondContact O-N 3.19Å; E22-K26 VanDerWaalsContact O-N 3.15Å; E22-K26 WeakPolarHBondContact OE1-CE 3.32Å; E22-K26 IonicContact OE1-NZ 2.63Å; E22-K26 PolarHBondContact OE1-NZ 3.41Å; N23-K26 PolarHBondContact O-N 3.17Å; I24-K26 VanDerWaalsContact C-N 3.34Å; I24-K26 PolarHBondContact O-N 3.46Å; K26-K29 PolarHBondContact O-N 2.92Å; K26-M30 WeakPolarHBondContact O-CB 3.48Å; K26-M30 PolarHBondContact O-N 3.41Å |
| 27 | M | 93.9 | Very high | 94.4 | Very high | 56 Ų | 56 | 91 Ų | 91 | 28% | 0.276 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 178.2 | -71.8 | -173.1 | -66.5 | 0 | 0 | 112.3 | N15 E18 N23 I24 E25 K29 M30 G31 | N15-M27 HydrophobicContact CB-CE 4.08Å; N15-M27 HydrophobicContact CB-SD 3.48Å; N15-M27 WeakPolarHBondContact CB-SD 3.47Å; E18-M27 HydrophobicContact CB-CE 3.93Å; E18-M27 HydrophobicContact CG-CE 3.73Å; N23-M27 WeakPolarHBondContact O-CG 3.28Å; N23-M27 PolarHBondContact O-N 3.34Å; I24-M27 HydrophobicContact CG1-CE 4.21Å; I24-M27 PolarHBondContact O-N 3.37Å; E25-M27 VanDerWaalsContact C-N 3.34Å; E25-M27 PolarHBondContact O-N 3.36Å; M27-K29 VanDerWaalsContact C-N 3.34Å; M27-M30 PolarHBondContact O-N 3.38Å; M27-G31 PolarHBondContact O-N 3.44Å |
| 28 | I | 93.5 | Very high | 93.9 | Very high | 112 Ų | 112 | 86.4 Ų | 86.4 | 57% | 0.574 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.7 | -47.3 | 174.5 | -69.7 | 168.6 | 0 | 0 | 0 | 109.8 | I24 E25 M30 G31 S32 | I24-I28 HydrophobicContact CG2-CD1 3.77Å; I24-I28 HydrophobicContact CG2-CG1 4.39Å; I24-I28 WeakPolarHBondContact O-CG1 3.47Å; I24-I28 PolarHBondContact O-N 3.14Å; E25-I28 PolarHBondContact O-N 3.21Å; I28-M30 PolarHBondContact O-N 2.93Å; I28-G31 PolarHBondContact O-N 3.43Å; I28-S32 PolarHBondContact O-N 2.91Å |
| 29 | K | 96.2 | Very high | 93.3 | Very high | 138 Ų | 138 | 88.8 Ų | 88.8 | 60% | 0.6 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.1 | -48 | 177.1 | -174.2 | -176.2 | 175.9 | -167.4 | 0 | 111.6 | E25 K26 M27 G31 S32 D33 | E25-K29 WeakPolarHBondContact O-CB 3.35Å; E25-K29 PolarHBondContact O-N 3.48Å; K26-K29 PolarHBondContact O-N 2.92Å; M27-K29 VanDerWaalsContact C-N 3.34Å; K29-G31 VanDerWaalsContact C-N 3.3Å; K29-G31 PolarHBondContact O-N 3.03Å; K29-S32 WeakPolarHBondContact O-CB 3.33Å; K29-S32 PolarHBondContact O-N 3.37Å; K29-S32 VanDerWaalsContact O-N 3.13Å; K29-D33 VanDerWaalsContact O-CG 3.32Å; K29-D33 PolarHBondContact O-N 2.94Å |
| 30 | M | 94 | Very high | 92.7 | Very high | 129 Ų | 129 | 89.7 Ų | 89.7 | 64% | 0.635 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.9 | -43 | 176.5 | 179.5 | -176.8 | 168.1 | 0 | 0 | 111.8 | K26 M27 I28 S32 D33 V34 | K26-M30 WeakPolarHBondContact O-CB 3.48Å; K26-M30 PolarHBondContact O-N 3.41Å; M27-M30 PolarHBondContact O-N 3.38Å; I28-M30 PolarHBondContact O-N 2.93Å; M30-S32 VanDerWaalsContact C-N 3.34Å; M30-S32 PolarHBondContact O-N 2.94Å; M30-D33 PolarHBondContact O-N 3.33Å; M30-V34 WeakPolarHBondContact O-CG2 3.45Å; M30-V34 PolarHBondContact O-N 3.47Å |
| 31 | G | 91.8 | Very high | 92 | Very high | 29 Ų | 29 | 92.3 Ų | 92.3 | 30% | 0.299 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M27 I28 K29 V34 E35 | M27-G31 PolarHBondContact O-N 3.44Å; I28-G31 PolarHBondContact O-N 3.43Å; K29-G31 VanDerWaalsContact C-N 3.3Å; K29-G31 PolarHBondContact O-N 3.03Å; G31-V34 PolarHBondContact O-N 3.48Å; G31-E35 WeakPolarHBondContact O-CB 3.34Å; G31-E35 PolarHBondContact O-N 3.49Å |
| 32 | S | 93.5 | Very high | 91.3 | Very high | 65 Ų | 65 | 87.3 Ų | 87.3 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 175 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | I28 K29 M30 V34 E35 A36 | I28-S32 PolarHBondContact O-N 2.91Å; K29-S32 WeakPolarHBondContact O-CB 3.33Å; K29-S32 PolarHBondContact O-N 3.37Å; K29-S32 VanDerWaalsContact O-N 3.13Å; M30-S32 VanDerWaalsContact C-N 3.34Å; M30-S32 PolarHBondContact O-N 2.94Å; S32-V34 VanDerWaalsContact C-N 3.34Å; S32-V34 PolarHBondContact O-N 3.17Å; S32-E35 PolarHBondContact O-N 2.74Å; S32-A36 PolarHBondContact O-N 3.45Å |
| 33 | D | 94.4 | Very high | 90.6 | Very high | 87 Ų | 87 | 86.8 Ų | 86.8 | 47% | 0.465 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 179.8 | -67.5 | -20.3 | 0 | 0 | 0 | 110.8 | K29 M30 A36 V37 | K29-D33 VanDerWaalsContact O-CG 3.32Å; K29-D33 PolarHBondContact O-N 2.94Å; M30-D33 PolarHBondContact O-N 3.33Å; D33-A36 PolarHBondContact O-N 3.33Å; D33-V37 WeakPolarHBondContact O-CG2 3.33Å; D33-V37 PolarHBondContact O-N 3Å; D33-V37 VanDerWaalsContact O-N 3.17Å |
| 34 | V | 91.4 | Very high | 89.9 | Confident | 62 Ų | 62 | 87.9 Ų | 87.9 | 38% | 0.376 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.4 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | M30 G31 S32 V37 L38 | M30-V34 WeakPolarHBondContact O-CG2 3.45Å; M30-V34 PolarHBondContact O-N 3.47Å; G31-V34 PolarHBondContact O-N 3.48Å; S32-V34 VanDerWaalsContact C-N 3.34Å; S32-V34 PolarHBondContact O-N 3.17Å; V34-V37 PolarHBondContact O-N 3.44Å; V34-L38 HydrophobicContact CG1-CD1 3.95Å; V34-L38 HydrophobicContact CG1-CG 4.3Å; V34-L38 WeakPolarHBondContact O-CG 3.22Å; V34-L38 PolarHBondContact O-N 3.34Å |
| 35 | E | 89.2 | Confident | 89.5 | Confident | 107 Ų | 107 | 88.6 Ų | 88.6 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 177.8 | -172.6 | -106.1 | 151.7 | 0 | 0 | 111.6 | G31 S32 V37 L38 R39 | G31-E35 WeakPolarHBondContact O-CB 3.34Å; G31-E35 PolarHBondContact O-N 3.49Å; S32-E35 PolarHBondContact O-N 2.74Å; E35-V37 PolarHBondContact O-N 2.96Å; E35-L38 CarbonylContact O-C 3.59Å; E35-L38 PolarHBondContact O-N 2.89Å; E35-R39 WeakPolarHBondContact O-CB 3.44Å; E35-R39 PolarHBondContact O-N 2.81Å |
| 36 | A | 89.4 | Confident | 89.1 | Confident | 42 Ų | 42 | 86.8 Ų | 86.8 | 35% | 0.347 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | S32 D33 L38 R39 E40 | S32-A36 PolarHBondContact O-N 3.45Å; D33-A36 PolarHBondContact O-N 3.33Å; A36-L38 PolarHBondContact O-N 3.13Å; A36-R39 WeakPolarHBondContact O-CA 3.48Å; A36-R39 VanDerWaalsContact O-CB 3.22Å; A36-R39 WeakPolarHBondContact O-CB 2.99Å; A36-R39 PolarHBondContact O-N 3.09Å; A36-E40 PolarHBondContact O-N 3.04Å; A36-E40 VanDerWaalsContact O-N 3.14Å |
| 37 | V | 89.6 | Confident | 88.9 | Confident | 83 Ų | 83 | 88.9 Ų | 88.9 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | D33 V34 E35 R39 E40 T41 | D33-V37 WeakPolarHBondContact O-CG2 3.33Å; D33-V37 PolarHBondContact O-N 3Å; D33-V37 VanDerWaalsContact O-N 3.17Å; V34-V37 PolarHBondContact O-N 3.44Å; E35-V37 PolarHBondContact O-N 2.96Å; V37-R39 PolarHBondContact O-N 2.99Å; V37-E40 PolarHBondContact O-N 3.22Å; V37-T41 HydrophobicContact CG1-CG2 4.15Å; V37-T41 WeakPolarHBondContact O-CB 3.42Å; V37-T41 WeakPolarHBondContact O-CG2 3.41Å; V37-T41 PolarHBondContact O-N 2.97Å; V37-T41 PolarHBondContact O-OG1 3.23Å |
| 38 | L | 86.9 | Confident | 88.9 | Confident | 47 Ų | 47 | 89.4 Ų | 89.4 | 25% | 0.246 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.1 | -25.7 | 175.4 | -68.3 | 176 | 0 | 0 | 0 | 111.8 | I8 V34 E35 A36 V42 R58 | I8-L38 HydrophobicContact CD1-CD1 4.29Å; V34-L38 HydrophobicContact CG1-CD1 3.95Å; V34-L38 HydrophobicContact CG1-CG 4.3Å; V34-L38 WeakPolarHBondContact O-CG 3.22Å; V34-L38 PolarHBondContact O-N 3.34Å; E35-L38 CarbonylContact O-C 3.59Å; E35-L38 PolarHBondContact O-N 2.89Å; A36-L38 PolarHBondContact O-N 3.13Å; L38-V42 HydrophobicContact CD2-CG2 3.79Å; L38-R58 PolarHBondContact O-NH2 2.99Å |
| 39 | R | 82.6 | Confident | 89 | Confident | 113 Ų | 113 | 86.7 Ų | 86.7 | 43% | 0.426 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 178.9 | -158.8 | 174.4 | -178.6 | -86.9 | 2.9 | 112.6 | E35 A36 V37 R58 | E35-R39 WeakPolarHBondContact O-CB 3.44Å; E35-R39 PolarHBondContact O-N 2.81Å; A36-R39 WeakPolarHBondContact O-CA 3.48Å; A36-R39 VanDerWaalsContact O-CB 3.22Å; A36-R39 WeakPolarHBondContact O-CB 2.99Å; A36-R39 PolarHBondContact O-N 3.09Å; V37-R39 PolarHBondContact O-N 2.99Å; R39-R58 VanDerWaalsContact O-CZ 3.28Å; R39-R58 PolarHBondContact O-NE 3.14Å; R39-R58 PolarHBondContact O-NH2 3.2Å |
| 40 | E | 82.9 | Confident | 89 | Confident | 151 Ų | 151 | 88.6 Ų | 88.6 | 71% | 0.706 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -89.5 | -38 | -175.9 | -66 | 177.2 | 178.9 | 0 | 0 | 112.7 | A36 V37 | A36-E40 PolarHBondContact O-N 3.04Å; A36-E40 VanDerWaalsContact O-N 3.14Å; V37-E40 PolarHBondContact O-N 3.22Å |
| 41 | T | 84.1 | Confident | 88.9 | Confident | 97 Ų | 97 | 90.1 Ų | 90.1 | 60% | 0.595 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -97.7 | -13.6 | -165.5 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | V37 | V37-T41 HydrophobicContact CG1-CG2 4.15Å; V37-T41 WeakPolarHBondContact O-CB 3.42Å; V37-T41 WeakPolarHBondContact O-CG2 3.41Å; V37-T41 PolarHBondContact O-N 2.97Å; V37-T41 PolarHBondContact O-OG1 3.23Å |
| 42 | V | 82.8 | Confident | 89 | Confident | 43 Ų | 43 | 95 Ų | 95 | 26% | 0.261 | 50% | 0.501 | S | S | . | . | trans | -119.8 | 122.3 | -172.1 | -165.6 | 0 | 0 | 0 | 0 | 112.2 | F1 L38 R58 | F1-V42 HydrophobicContact CD2-CG1 4.42Å; F1-V42 HydrophobicContact CE1-CG1 4.28Å; F1-V42 HydrophobicContact CE2-CB 4.28Å; F1-V42 HydrophobicContact CE2-CG1 3.29Å; F1-V42 HydrophobicContact CZ-CB 3.77Å; F1-V42 HydrophobicContact CZ-CG1 3.22Å; L38-V42 HydrophobicContact CD2-CG2 3.79Å; V42-R58 PolarHBondContact O-NH2 3.14Å | ||
| 43 | L | 82.4 | Confident | 88.9 | Confident | 104 Ų | 104 | 96.6 Ų | 96.6 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | trans | -94.8 | 137.3 | 168.6 | -70.1 | 172.7 | 0 | 0 | 0 | 110.9 | L61 | L43-L61 HydrophobicContact CD2-CD1 4.4Š| ||
| 44 | Q | 81.8 | Confident | 88.7 | Confident | 82 Ų | 82 | 96.1 Ų | 96.1 | 38% | 0.383 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 129.2 | 175.7 | -73.2 | -179.6 | -2 | 0 | 0 | 110 | F1 R56 | F1-Q44 HydrophobicContact CD2-CG 3.7Å; F1-Q44 HydrophobicContact CE2-CB 4.43Å; F1-Q44 HydrophobicContact CE2-CG 3.26Å; F1-Q44 HydrophobicContact CZ-CG 3.96Å; Q44-R56 HydrophobicContact CB-CB 4.19Å; Q44-R56 PolarHBondContact O-N 2.75Å |
| 45 | V | 85.9 | Confident | 88.4 | Confident | 79 Ų | 79 | 97.9 Ų | 97.9 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137.8 | -179.9 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | L53 L54 L55 | V45-L53 HydrophobicContact CG1-CB 3.77Å; V45-L53 HydrophobicContact CG1-CD1 4.16Å; V45-L53 HydrophobicContact CG1-CD2 4.2Å; V45-L53 HydrophobicContact CG1-CG 4.26Å; V45-L54 WeakPolarHBondContact CA-O 3.42Å; V45-L55 HydrophobicContact CB-CD2 4.29Å; V45-L55 HydrophobicContact CG1-CD2 4.09Å; V45-L55 HydrophobicContact CG2-CD2 3.47Å; V45-L55 VanDerWaalsContact CG2-CD2 3.47Å |
| 46 | E | 88.3 | Confident | 88.2 | Confident | 80 Ų | 80 | 99.4 Ų | 99.4 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.5 | 177.2 | -176.2 | 174.8 | -168.8 | 0 | 0 | 110.2 | V48 L53 L54 R56 | E46-V48 HydrophobicContact CB-CG1 4.38Å; E46-V48 HydrophobicContact CG-CG1 3.98Å; E46-V48 PolarHBondContact O-N 3.28Å; E46-L53 CarbonylContact O-C 3.58Å; E46-L53 WeakPolarHBondContact O-CA 3.22Å; E46-L54 HydrophobicContact CB-CB 4.45Å; E46-L54 PolarHBondContact N-O 3.03Å; E46-L54 PolarHBondContact O-N 2.81Å; E46-R56 IonicContact OE2-CZ 3.28Å; E46-R56 VanDerWaalsContact OE2-CZ 3.28Å; E46-R56 IonicContact OE2-NE 2.96Å; E46-R56 PolarHBondContact OE2-NE 2.66Å; E46-R56 IonicContact OE2-NH2 2.74Å; E46-R56 PolarHBondContact OE2-NH2 3.48Å |
| 47 | H | 91.4 | Very high | 87.6 | Confident | 160 Ų | 160 | 99.8 Ų | 99.8 | 74% | 0.741 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 114.3 | 168 | -88.6 | -137.8 | 0 | 0 | 0 | 108.5 | L53 | H47-L53 WeakPolarHBondContact CD2-CD2 3.39Å; H47-L53 WeakPolarHBondContact NE2-CD2 3.37Å |
| 48 | V | 95.3 | Very high | 87 | Confident | 67 Ų | 67 | 99.4 Ų | 99.4 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -19.4 | -177.2 | -64.4 | 0 | 0 | 0 | 0 | 113.3 | E46 K52 L54 | E46-V48 HydrophobicContact CB-CG1 4.38Å; E46-V48 HydrophobicContact CG-CG1 3.98Å; E46-V48 PolarHBondContact O-N 3.28Å; V48-K52 HydrophobicContact CG2-CB 4.02Å; V48-K52 HydrophobicContact CG2-CD 3.86Å; V48-K52 HydrophobicContact CG2-CG 3.65Å; V48-K52 WeakPolarHBondContact CG2-O 3.38Å; V48-K52 PolarHBondContact N-O 2.94Å; V48-L54 HydrophobicContact CG1-CB 3.66Å; V48-L54 HydrophobicContact CG1-CD2 4.26Å; V48-L54 HydrophobicContact CG2-CB 4.26Å |
| 49 | A | 94.8 | Very high | 86.2 | Confident | 55 Ų | 55 | 105.6 Ų | 105.6 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 176.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | N51 K52 | A49-N51 PolarHBondContact O-N 2.85Å; A49-K52 HydrophobicContact CB-CB 3.86Å; A49-K52 HydrophobicContact CB-CD 4.42Å; A49-K52 PolarHBondContact N-O 3.29Å; A49-K52 PolarHBondContact O-N 2.9Å |
| 50 | E | 95.4 | Very high | 85.8 | Confident | 178 Ų | 178 | 103.3 Ų | 103.3 | 83% | 0.832 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 124.7 | 169 | -172 | 173.6 | -166.2 | 0 | 0 | 109.9 | K52 | E50-K52 PolarHBondContact O-N 3.24Å; E50-K52 VanDerWaalsContact O-N 3.09Å |
| 51 | N | 92.4 | Very high | 85.2 | Confident | 162 Ų | 162 | 99.7 Ų | 99.7 | 87% | 0.866 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 21.2 | -176.5 | -55.4 | -41.7 | 0 | 0 | 0 | 115.3 | A49 | A49-N51 PolarHBondContact O-N 2.85Š|
| 52 | K | 93.7 | Very high | 84.7 | Confident | 131 Ų | 131 | 100.2 Ų | 100.2 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.4 | 179.1 | -163.9 | 177.4 | 178.6 | 177.5 | 0 | 112.2 | V48 A49 E50 | V48-K52 HydrophobicContact CG2-CB 4.02Å; V48-K52 HydrophobicContact CG2-CD 3.86Å; V48-K52 HydrophobicContact CG2-CG 3.65Å; V48-K52 WeakPolarHBondContact CG2-O 3.38Å; V48-K52 PolarHBondContact N-O 2.94Å; A49-K52 HydrophobicContact CB-CB 3.86Å; A49-K52 HydrophobicContact CB-CD 4.42Å; A49-K52 PolarHBondContact N-O 3.29Å; A49-K52 PolarHBondContact O-N 2.9Å; E50-K52 PolarHBondContact O-N 3.24Å; E50-K52 VanDerWaalsContact O-N 3.09Å |
| 53 | L | 92.5 | Very high | 84.3 | Confident | 99 Ų | 99 | 105.6 Ų | 105.6 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.2 | 176.8 | -56.5 | -178.3 | 0 | 0 | 0 | 110.1 | V45 E46 H47 | V45-L53 HydrophobicContact CG1-CB 3.77Å; V45-L53 HydrophobicContact CG1-CD1 4.16Å; V45-L53 HydrophobicContact CG1-CD2 4.2Å; V45-L53 HydrophobicContact CG1-CG 4.26Å; E46-L53 CarbonylContact O-C 3.58Å; E46-L53 WeakPolarHBondContact O-CA 3.22Å; H47-L53 WeakPolarHBondContact CD2-CD2 3.39Å; H47-L53 WeakPolarHBondContact NE2-CD2 3.37Å |
| 54 | L | 89.1 | Confident | 84 | Confident | 76 Ų | 76 | 108.9 Ų | 108.9 | 40% | 0.398 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 113.4 | 168.7 | 179.4 | 63.4 | 0 | 0 | 0 | 108.7 | V45 E46 V48 R56 | V45-L54 WeakPolarHBondContact CA-O 3.42Å; E46-L54 HydrophobicContact CB-CB 4.45Å; E46-L54 PolarHBondContact N-O 3.03Å; E46-L54 PolarHBondContact O-N 2.81Å; V48-L54 HydrophobicContact CG1-CB 3.66Å; V48-L54 HydrophobicContact CG1-CD2 4.26Å; V48-L54 HydrophobicContact CG2-CB 4.26Å; L54-R56 HydrophobicContact CG-CG 4.42Å |
| 55 | L | 86.6 | Confident | 83.5 | Confident | 100 Ų | 100 | 113 Ų | 113 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.8 | 137 | 166.4 | -59.3 | -179.2 | 0 | 0 | 0 | 108.4 | V45 P57 | V45-L55 HydrophobicContact CB-CD2 4.29Å; V45-L55 HydrophobicContact CG1-CD2 4.09Å; V45-L55 HydrophobicContact CG2-CD2 3.47Å; V45-L55 VanDerWaalsContact CG2-CD2 3.47Å; L55-P57 VanDerWaalsContact C-CD 3.43Å; L55-P57 HydrophobicContact CB-CG 4.24Å; L55-P57 WeakPolarHBondContact O-CD 3.39Å |
| 56 | R | 83.6 | Confident | 83 | Confident | 138 Ų | 138 | 112.3 Ų | 112.3 | 52% | 0.521 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117 | 74.6 | 168.4 | -65.4 | -176.5 | -179.7 | -111.9 | 5.2 | 108.6 | Q44 E46 L54 | Q44-R56 HydrophobicContact CB-CB 4.19Å; Q44-R56 PolarHBondContact O-N 2.75Å; E46-R56 IonicContact OE2-CZ 3.28Å; E46-R56 VanDerWaalsContact OE2-CZ 3.28Å; E46-R56 IonicContact OE2-NE 2.96Å; E46-R56 PolarHBondContact OE2-NE 2.66Å; E46-R56 IonicContact OE2-NH2 2.74Å; E46-R56 PolarHBondContact OE2-NH2 3.48Å; L54-R56 HydrophobicContact CG-CG 4.42Å |
| 57 | P | 76.7 | Confident | 82.6 | Confident | 51 Ų | 51 | 113.4 Ų | 113.4 | 33% | 0.331 | 60% | 0.595 | S | S | . | * | trans | -67.5 | 151.6 | 176.5 | -10.6 | 28.3 | 0 | 0 | 0 | 109.4 | L55 L62 | L55-P57 VanDerWaalsContact C-CD 3.43Å; L55-P57 HydrophobicContact CB-CG 4.24Å; L55-P57 WeakPolarHBondContact O-CD 3.39Å; P57-L62 HydrophobicContact CB-CD2 3.6Å; P57-L62 HydrophobicContact CB-CG 4.29Å; P57-L62 HydrophobicContact CG-CD2 3.67Å | ||
| 58 | R | 77.4 | Confident | 81.9 | Confident | 74 Ų | 74 | 114.8 Ų | 114.8 | 28% | 0.279 | 60% | 0.595 | S | S | . | * | trans | -72.9 | 145.9 | 168.1 | -78.5 | 176.7 | -82.5 | -116 | -15.4 | 109.4 | L38 R39 V42 G60 L61 | L38-R58 PolarHBondContact O-NH2 2.99Å; R39-R58 VanDerWaalsContact O-CZ 3.28Å; R39-R58 PolarHBondContact O-NE 3.14Å; R39-R58 PolarHBondContact O-NH2 3.2Å; V42-R58 PolarHBondContact O-NH2 3.14Å; R58-G60 PolarHBondContact O-N 2.8Å; R58-G60 VanDerWaalsContact O-N 3.14Å; R58-L61 HydrophobicContact CB-CD1 4.41Å; R58-L61 WeakPolarHBondContact O-CB 3.48Å; R58-L61 PolarHBondContact O-N 3.36Å | ||
| 59 | E | 71.3 | Confident | 81.3 | Confident | 177 Ų | 177 | 115 Ų | 115 | 83% | 0.827 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -51.8 | -40.7 | -176.3 | -70.3 | 179.2 | 166.2 | 0 | 0 | 113.1 | L61 L62 | E59-L61 PolarHBondContact O-N 2.9Å; E59-L62 PolarHBondContact O-N 3.2Å |
| 60 | G | 74.3 | Confident | 80.6 | Confident | 65 Ų | 65 | 118.9 Ų | 118.9 | 67% | 0.67 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -72.4 | -3.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | R58 | R58-G60 PolarHBondContact O-N 2.8Å; R58-G60 VanDerWaalsContact O-N 3.14Å |
| 61 | L | 69.8 | Low | 80.1 | Confident | 75 Ų | 75 | 117.5 Ų | 117.5 | 39% | 0.393 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -102.7 | -9.2 | 173.7 | -68.6 | 172.1 | 0 | 0 | 0 | 112.3 | L43 R58 E59 L63 | L43-L61 HydrophobicContact CD2-CD1 4.4Å; R58-L61 HydrophobicContact CB-CD1 4.41Å; R58-L61 WeakPolarHBondContact O-CB 3.48Å; R58-L61 PolarHBondContact O-N 3.36Å; E59-L61 PolarHBondContact O-N 2.9Å; L61-L63 PolarHBondContact O-N 3.29Å |
| 62 | L | 73.2 | Confident | 79.4 | Confident | 108 Ų | 108 | 115.6 Ų | 115.6 | 57% | 0.565 | 60% | 0.601 | S | S | * | * | trans | -75.2 | 115.2 | 178.2 | -64 | 176.5 | 0 | 0 | 0 | 108.6 | P57 E59 | P57-L62 HydrophobicContact CB-CD2 3.6Å; P57-L62 HydrophobicContact CB-CG 4.29Å; P57-L62 HydrophobicContact CG-CD2 3.67Å; E59-L62 PolarHBondContact O-N 3.2Å | ||
| 63 | L | 73.9 | Confident | 78.3 | Confident | 156 Ų | 156 | 118 Ų | 118 | 82% | 0.817 | 61% | 0.607 | S | S | * | * | trans | -77.1 | 162.3 | 167.6 | -63.6 | 175.9 | 0 | 0 | 0 | 109.6 | L61 N65 | L61-L63 PolarHBondContact O-N 3.29Å; L63-N65 PolarHBondContact O-N 3.3Å | ||
| 64 | E | 77.1 | Confident | 77.1 | Confident | 173 Ų | 173 | 123 Ų | 123 | 81% | 0.808 | 62% | 0.624 | S | S | * | * | trans | -52.7 | 133.4 | 168.8 | -69.7 | -175.9 | 175.7 | 0 | 0 | 109.5 | V66 | E64-V66 HydrophobicContact CB-CG2 4.06Å; E64-V66 PolarHBondContact O-N 3.31Å | ||
| 65 | N | 70.1 | Confident | 75.6 | Confident | 170 Ų | 170 | 129.3 Ų | 129.3 | 91% | 0.909 | 65% | 0.649 | S | S | * | * | trans | -69.2 | 72.4 | 174.1 | -84.1 | -46.8 | 0 | 0 | 0 | 109.4 | L63 P67 | L63-N65 PolarHBondContact O-N 3.3Å; N65-P67 WeakPolarHBondContact O-CD 3.47Å | ||
| 66 | V | 77.1 | Confident | 74.2 | Confident | 63 Ų | 63 | 133.5 Ų | 133.5 | 38% | 0.382 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -86 | 119.2 | 168.7 | -171.5 | 0 | 0 | 0 | 0 | 106.6 | E64 Y68 R73 | E64-V66 HydrophobicContact CB-CG2 4.06Å; E64-V66 PolarHBondContact O-N 3.31Å; V66-Y68 PolarHBondContact O-N 2.72Å; V66-R73 VanDerWaalsContact CG1-NH2 3.31Å |
| 67 | P | 79.4 | Confident | 73.7 | Confident | 104 Ų | 104 | 133.3 Ų | 133.3 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 134.7 | 174.4 | -26.2 | 34.3 | 0 | 0 | 0 | 110.1 | N65 C69 | N65-P67 WeakPolarHBondContact O-CD 3.47Å; P67-C69 PolarHBondContact O-N 3.34Å |
| 68 | Y | 77.1 | Confident | 73.6 | Confident | 189 Ų | 189 | 137.6 Ų | 137.6 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 131.9 | 171.2 | 176.5 | -96.2 | 0 | 0 | 0 | 108.7 | V66 D70 | V66-Y68 PolarHBondContact O-N 2.72Å; Y68-D70 WeakPolarHBondContact CE1-OD1 3.08Å; Y68-D70 VanDerWaalsContact CZ-OD1 3.22Å; Y68-D70 PolarHBondContact OH-OD1 2.62Å |
| 69 | C | 81.8 | Confident | 73.4 | Confident | 72 Ų | 72 | 141.1 Ų | 141.1 | 49% | 0.486 | 74% | 0.738 | S | S | . | * | trans | -132.8 | 123.1 | 178 | -174.1 | 0 | 0 | 0 | 0 | 107.5 | P67 E71 | P67-C69 PolarHBondContact O-N 3.34Å; C69-E71 PolarHBondContact O-N 3.17Å | ||
| 70 | D | 81.2 | Confident | 73.5 | Confident | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -67.3 | -20.7 | 177 | -73.2 | -58 | 0 | 0 | 0 | 112.3 | Y68 | Y68-D70 WeakPolarHBondContact CE1-OD1 3.08Å; Y68-D70 VanDerWaalsContact CZ-OD1 3.22Å; Y68-D70 PolarHBondContact OH-OD1 2.62Å |
| 71 | E | 84.1 | Confident | 73.4 | Confident | 150 Ų | 150 | 143.6 Ų | 143.6 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -84.1 | 136.9 | 179.7 | -61 | -173.7 | 174.8 | 0 | 0 | 111.5 | C69 R73 | C69-E71 PolarHBondContact O-N 3.17Å; E71-R73 PolarHBondContact O-N 3.35Å |
| 72 | P | 78.3 | Confident | 73.7 | Confident | 122 Ų | 122 | 148.2 Ų | 148.2 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 123.9 | 175.3 | -19 | 29 | 0 | 0 | 0 | 110.4 | K74 | P72-K74 PolarHBondContact O-N 3.13Å; P72-K74 VanDerWaalsContact O-N 3.13Å |
| 73 | R | 70.3 | Confident | 73.7 | Confident | 181 Ų | 181 | 151.1 Ų | 151.1 | 68% | 0.683 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 121.1 | 174.8 | -63.4 | -176 | -155 | 172.6 | 6.6 | 108.9 | V66 E71 K75 | V66-R73 VanDerWaalsContact CG1-NH2 3.31Å; E71-R73 PolarHBondContact O-N 3.35Å; R73-K75 PolarHBondContact O-N 3.32Å |
| 74 | K | 66.5 | Low | 73.7 | Confident | 204 Ų | 204 | 150.7 Ų | 150.7 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125 | 167.7 | -66.9 | -176.8 | -178.1 | 177 | 0 | 107.5 | P72 S76 | P72-K74 PolarHBondContact O-N 3.13Å; P72-K74 VanDerWaalsContact O-N 3.13Å; K74-S76 PolarHBondContact O-N 3.33Å |
| 75 | K | 58.3 | Low | 73.4 | Confident | 209 Ų | 209 | 148.8 Ų | 148.8 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63 | 125.6 | 172.9 | -68.7 | -172.6 | 177.7 | -176.5 | 0 | 108 | R73 | R73-K75 PolarHBondContact O-N 3.32Š|
| 76 | S | 56.8 | Low | 73.7 | Confident | 187 Ų | 187 | 146.9 Ų | 146.9 | 100% | 1.308 | 75% | 0.753 | S | S | * | * | trans | -82.9 | 0 | 170.3 | -165 | 0 | 0 | 0 | 0 | 111.2 | K74 | K74-S76 PolarHBondContact O-N 3.33Š|
Retrieved 76 of 76 residues in 183.3 ms
(Link to these results)