| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 59.2 | Low | 68.9 | Low | 220 Ų | 220 | 141 Ų | 141 | 100% | 1.084 | 70% | 0.702 | S | S | * | * | 0 | 96 | 0 | -165.1 | -172.8 | -59.7 | 0 | 0 | 107.2 | |||||
| 2 | W | 63.4 | Low | 70.5 | Confident | 241 Ų | 241 | 141.8 Ų | 141.8 | 91% | 0.913 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -83 | 123.9 | 177.8 | -74.1 | -2.8 | 0 | 0 | 0 | 108.5 | ||
| 3 | K | 70.4 | Confident | 72 | Confident | 145 Ų | 145 | 142.5 Ų | 142.5 | 63% | 0.63 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 122.3 | 175.2 | -69.7 | -80.2 | -174.1 | 166.7 | 0 | 107.5 | D7 | K3-D7 WeakPolarHBondContact CA-OD2 3.35Å; K3-D7 WeakPolarHBondContact CB-OD2 3.24Å; K3-D7 WeakPolarHBondContact CD-OD2 3.28Å |
| 4 | H | 71.7 | Confident | 73.4 | Confident | 134 Ų | 134 | 142.1 Ų | 142.1 | 62% | 0.62 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 147.4 | 178.5 | -69.1 | -179 | 0 | 0 | 0 | 108.9 | S6 D7 | H4-S6 PolarHBondContact O-N 3.49Å; H4-D7 PolarHBondContact N-OD2 3.24Å; H4-D7 WeakPolarHBondContact O-CB 3.33Å; H4-D7 VanDerWaalsContact O-CG 3.3Å; H4-D7 PolarHBondContact O-N 3.07Å |
| 5 | A | 63.3 | Low | 74.6 | Confident | 91 Ų | 91 | 135.8 Ų | 135.8 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -10.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 6 | S | 65.3 | Low | 75.6 | Confident | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -2.3 | 174 | -173.2 | 0 | 0 | 0 | 0 | 113.9 | H4 Q8 | H4-S6 PolarHBondContact O-N 3.49Å; S6-Q8 PolarHBondContact O-N 2.65Å |
| 7 | D | 69.3 | Low | 76.7 | Confident | 59 Ų | 59 | 130.5 Ų | 130.5 | 32% | 0.316 | 63% | 0.634 | S | S | . | * | trans | -61.8 | 125.8 | 175.7 | -74.5 | -16.7 | 0 | 0 | 0 | 108.6 | K3 H4 N9 Y10 | K3-D7 WeakPolarHBondContact CA-OD2 3.35Å; K3-D7 WeakPolarHBondContact CB-OD2 3.24Å; K3-D7 WeakPolarHBondContact CD-OD2 3.28Å; H4-D7 PolarHBondContact N-OD2 3.24Å; H4-D7 WeakPolarHBondContact O-CB 3.33Å; H4-D7 VanDerWaalsContact O-CG 3.3Å; H4-D7 PolarHBondContact O-N 3.07Å; D7-N9 PolarHBondContact O-N 2.93Å; D7-Y10 PolarHBondContact O-N 3.31Å | ||
| 8 | Q | 66.8 | Low | 77.7 | Confident | 213 Ų | 213 | 126.5 Ų | 126.5 | 100% | 0.995 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -7.8 | 179.4 | -66.6 | -140.5 | -33.6 | 0 | 0 | 114.2 | S6 | S6-Q8 PolarHBondContact O-N 2.65Š|
| 9 | N | 67.1 | Low | 78.5 | Confident | 140 Ų | 140 | 124.4 Ų | 124.4 | 75% | 0.749 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 3.6 | 177 | -165.7 | 70.2 | 0 | 0 | 0 | 113.2 | D7 | D7-N9 PolarHBondContact O-N 2.93Š|
| 10 | Y | 78.4 | Confident | 79.3 | Confident | 119 Ų | 119 | 122.9 Ų | 122.9 | 47% | 0.467 | 61% | 0.611 | S | S | . | * | trans | -94.2 | 94.7 | 174.8 | -167.2 | -97.2 | 0 | 0 | 0 | 110.1 | D7 Y12 V15 | D7-Y10 PolarHBondContact O-N 3.31Å; Y10-Y12 PolarHBondContact O-N 3.06Å; Y10-V15 HydrophobicContact CE2-CG2 4.09Å | ||
| 11 | N | 83 | Confident | 80 | Confident | 79 Ų | 79 | 120.1 Ų | 120.1 | 42% | 0.422 | 60% | 0.598 | S | S | . | * | trans | -90.1 | 103.3 | 174.8 | -174.3 | -43.4 | 0 | 0 | 0 | 109.8 | E13 Q14 V15 | N11-E13 VanDerWaalsContact C-N 3.27Å; N11-E13 PolarHBondContact O-N 3.34Å; N11-E13 WeakPolarHBondContact OD1-CA 3.42Å; N11-E13 WeakPolarHBondContact OD1-CB 3.35Å; N11-E13 PolarHBondContact OD1-N 3.34Å; N11-Q14 HydrophobicContact CB-CB 4.02Å; N11-Q14 PolarHBondContact O-N 3.32Å; N11-Q14 PolarHBondContact OD1-N 3.4Å; N11-V15 WeakPolarHBondContact O-CG2 3.27Å; N11-V15 PolarHBondContact O-N 3.07Å; N11-V15 VanDerWaalsContact O-N 3.16Å | ||
| 12 | Y | 88.2 | Confident | 81.6 | Confident | 150 Ų | 150 | 112.2 Ų | 112.2 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -54.8 | -40.5 | 179.2 | 177.5 | -101.9 | 0 | 0 | 0 | 112.9 | Y10 V15 N16 | Y10-Y12 PolarHBondContact O-N 3.06Å; Y12-V15 PolarHBondContact O-N 2.76Å; Y12-N16 WeakPolarHBondContact CE1-ND2 3.03Å; Y12-N16 WeakPolarHBondContact O-CB 3.31Å; Y12-N16 PolarHBondContact O-N 3.41Å; Y12-N16 PolarHBondContact OH-ND2 3Å |
| 13 | E | 90.5 | Very high | 82.9 | Confident | 151 Ų | 151 | 105.3 Ų | 105.3 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | -178.8 | -58.1 | -176.8 | 154.3 | 0 | 0 | 111.7 | N11 K17 | N11-E13 VanDerWaalsContact C-N 3.27Å; N11-E13 PolarHBondContact O-N 3.34Å; N11-E13 WeakPolarHBondContact OD1-CA 3.42Å; N11-E13 WeakPolarHBondContact OD1-CB 3.35Å; N11-E13 PolarHBondContact OD1-N 3.34Å; E13-K17 VanDerWaalsContact O-CB 3.24Å; E13-K17 WeakPolarHBondContact O-CB 3.39Å; E13-K17 PolarHBondContact O-N 3.47Å |
| 14 | Q | 91.1 | Very high | 84 | Confident | 138 Ų | 138 | 100.9 Ų | 100.9 | 65% | 0.645 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.1 | -43.8 | 178.6 | -172.8 | 179.9 | 46.6 | 0 | 0 | 111.5 | N11 K17 A18 | N11-Q14 HydrophobicContact CB-CB 4.02Å; N11-Q14 PolarHBondContact O-N 3.32Å; N11-Q14 PolarHBondContact OD1-N 3.4Å; Q14-K17 PolarHBondContact O-N 2.96Å; Q14-A18 WeakPolarHBondContact O-CB 3.45Å; Q14-A18 PolarHBondContact O-N 3.49Å |
| 15 | V | 91.3 | Very high | 84.7 | Confident | 47 Ų | 47 | 100.6 Ų | 100.6 | 29% | 0.285 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | Y10 N11 Y12 K17 A18 I19 | Y10-V15 HydrophobicContact CE2-CG2 4.09Å; N11-V15 WeakPolarHBondContact O-CG2 3.27Å; N11-V15 PolarHBondContact O-N 3.07Å; N11-V15 VanDerWaalsContact O-N 3.16Å; Y12-V15 PolarHBondContact O-N 2.76Å; V15-K17 VanDerWaalsContact C-N 3.31Å; V15-K17 PolarHBondContact O-N 3.32Å; V15-A18 PolarHBondContact O-N 2.78Å; V15-I19 HydrophobicContact CG1-CD1 3.9Å; V15-I19 WeakPolarHBondContact O-CG1 3.24Å; V15-I19 PolarHBondContact O-N 3.34Å |
| 16 | N | 91.5 | Very high | 85.6 | Confident | 54 Ų | 54 | 99.6 Ų | 99.6 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 176 | -87.2 | 3.7 | 0 | 0 | 0 | 112.4 | Y12 I19 N20 | Y12-N16 WeakPolarHBondContact CE1-ND2 3.03Å; Y12-N16 WeakPolarHBondContact O-CB 3.31Å; Y12-N16 PolarHBondContact O-N 3.41Å; Y12-N16 PolarHBondContact OH-ND2 3Å; N16-I19 PolarHBondContact O-N 2.87Å; N16-N20 PolarHBondContact O-N 3.09Å; N16-N20 PolarHBondContact O-ND2 3.25Å |
| 17 | K | 93.8 | Very high | 85.8 | Confident | 127 Ų | 127 | 97.7 Ų | 97.7 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.2 | -46.8 | 176 | -175.9 | -179.9 | -176.7 | -61.5 | 0 | 111.2 | E13 Q14 V15 I19 N20 D21 | E13-K17 VanDerWaalsContact O-CB 3.24Å; E13-K17 WeakPolarHBondContact O-CB 3.39Å; E13-K17 PolarHBondContact O-N 3.47Å; Q14-K17 PolarHBondContact O-N 2.96Å; V15-K17 VanDerWaalsContact C-N 3.31Å; V15-K17 PolarHBondContact O-N 3.32Å; K17-I19 VanDerWaalsContact C-N 3.31Å; K17-I19 PolarHBondContact O-N 3.32Å; K17-N20 PolarHBondContact O-N 3.36Å; K17-D21 IonicContact NZ-OD1 3.95Å; K17-D21 IonicContact NZ-OD2 2.69Å; K17-D21 PolarHBondContact NZ-OD2 3.35Å; K17-D21 WeakPolarHBondContact O-CB 3.43Å; K17-D21 VanDerWaalsContact O-CG 3.3Å; K17-D21 PolarHBondContact O-N 2.81Å |
| 18 | A | 93.8 | Very high | 85.7 | Confident | 59 Ų | 59 | 102.7 Ų | 102.7 | 49% | 0.488 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q14 V15 D21 A22 | Q14-A18 WeakPolarHBondContact O-CB 3.45Å; Q14-A18 PolarHBondContact O-N 3.49Å; V15-A18 PolarHBondContact O-N 2.78Å; A18-D21 PolarHBondContact O-N 3.43Å; A18-A22 WeakPolarHBondContact O-CB 3.26Å; A18-A22 PolarHBondContact O-N 3.34Å |
| 19 | I | 93.1 | Very high | 85.3 | Confident | 87 Ų | 87 | 97.9 Ų | 97.9 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -50.2 | 175.6 | -67.7 | 165.6 | 0 | 0 | 0 | 110.7 | V15 N16 K17 D21 A22 I23 | V15-I19 HydrophobicContact CG1-CD1 3.9Å; V15-I19 WeakPolarHBondContact O-CG1 3.24Å; V15-I19 PolarHBondContact O-N 3.34Å; N16-I19 PolarHBondContact O-N 2.87Å; K17-I19 VanDerWaalsContact C-N 3.31Å; K17-I19 PolarHBondContact O-N 3.32Å; I19-D21 VanDerWaalsContact C-N 3.32Å; I19-D21 PolarHBondContact O-N 3.49Å; I19-A22 PolarHBondContact O-N 3.41Å; I19-I23 HydrophobicContact CG2-CD1 3.87Å; I19-I23 WeakPolarHBondContact O-CG1 3.39Å; I19-I23 PolarHBondContact O-N 3.29Å |
| 20 | N | 94.8 | Very high | 84.8 | Confident | 94 Ų | 94 | 99.3 Ų | 99.3 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 179.3 | -75.5 | -60.3 | 0 | 0 | 0 | 112.3 | N16 K17 I23 S24 | N16-N20 PolarHBondContact O-N 3.09Å; N16-N20 PolarHBondContact O-ND2 3.25Å; K17-N20 PolarHBondContact O-N 3.36Å; N20-I23 PolarHBondContact O-N 3.27Å; N20-S24 VanDerWaalsContact O-CB 3.29Å; N20-S24 WeakPolarHBondContact O-CB 3.46Å; N20-S24 PolarHBondContact O-N 3.29Å; N20-S24 PolarHBondContact O-OG 2.85Å |
| 21 | D | 94 | Very high | 83.8 | Confident | 64 Ų | 64 | 96.4 Ų | 96.4 | 34% | 0.342 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 174.9 | -76 | -16.3 | 0 | 0 | 0 | 110.9 | K17 A18 I19 S24 Q25 | K17-D21 IonicContact NZ-OD1 3.95Å; K17-D21 IonicContact NZ-OD2 2.69Å; K17-D21 PolarHBondContact NZ-OD2 3.35Å; K17-D21 WeakPolarHBondContact O-CB 3.43Å; K17-D21 VanDerWaalsContact O-CG 3.3Å; K17-D21 PolarHBondContact O-N 2.81Å; A18-D21 PolarHBondContact O-N 3.43Å; I19-D21 VanDerWaalsContact C-N 3.32Å; I19-D21 PolarHBondContact O-N 3.49Å; D21-S24 WeakPolarHBondContact O-CB 3.47Å; D21-S24 PolarHBondContact O-N 3.23Å; D21-Q25 WeakPolarHBondContact O-CB 3.35Å; D21-Q25 VanDerWaalsContact O-CG 3.27Å; D21-Q25 WeakPolarHBondContact O-CG 3.29Å; D21-Q25 PolarHBondContact O-N 2.98Å |
| 22 | A | 93.2 | Very high | 82.4 | Confident | 54 Ų | 54 | 100.1 Ų | 100.1 | 45% | 0.446 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A18 I19 Q25 S26 | A18-A22 WeakPolarHBondContact O-CB 3.26Å; A18-A22 PolarHBondContact O-N 3.34Å; I19-A22 PolarHBondContact O-N 3.41Å; A22-Q25 PolarHBondContact O-N 3.07Å; A22-S26 WeakPolarHBondContact O-CB 3.48Å; A22-S26 PolarHBondContact O-N 3.45Å; A22-S26 PolarHBondContact O-OG 3.29Å |
| 23 | I | 90.1 | Very high | 80.5 | Confident | 96 Ų | 96 | 98.7 Ų | 98.7 | 49% | 0.492 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 173.4 | -65.6 | 165.8 | 0 | 0 | 0 | 110.3 | I19 N20 Q25 S26 A27 | I19-I23 HydrophobicContact CG2-CD1 3.87Å; I19-I23 WeakPolarHBondContact O-CG1 3.39Å; I19-I23 PolarHBondContact O-N 3.29Å; N20-I23 PolarHBondContact O-N 3.27Å; I23-Q25 VanDerWaalsContact C-N 3.26Å; I23-Q25 PolarHBondContact O-N 3.33Å; I23-S26 WeakPolarHBondContact CA-OG 3.24Å; I23-S26 PolarHBondContact O-N 3.35Å; I23-S26 PolarHBondContact O-OG 3.49Å; I23-S26 VanDerWaalsContact O-OG 3.07Å; I23-A27 VanDerWaalsContact O-CB 3.26Å; I23-A27 WeakPolarHBondContact O-CB 3.33Å; I23-A27 PolarHBondContact O-N 3.49Å |
| 24 | S | 93.4 | Very high | 78.8 | Confident | 52 Ų | 52 | 103 Ų | 103 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -29.4 | 177.6 | -62.9 | 0 | 0 | 0 | 0 | 112.8 | N20 D21 R28 | N20-S24 VanDerWaalsContact O-CB 3.29Å; N20-S24 WeakPolarHBondContact O-CB 3.46Å; N20-S24 PolarHBondContact O-N 3.29Å; N20-S24 PolarHBondContact O-OG 2.85Å; D21-S24 WeakPolarHBondContact O-CB 3.47Å; D21-S24 PolarHBondContact O-N 3.23Å; S24-R28 WeakPolarHBondContact O-CG 3.28Å; S24-R28 PolarHBondContact O-NE 3.36Å |
| 25 | Q | 87.3 | Confident | 76.3 | Confident | 128 Ų | 128 | 99.7 Ų | 99.7 | 60% | 0.598 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -79.7 | -44 | 174.1 | -72.9 | 178.1 | 34.9 | 0 | 0 | 111.4 | D21 A22 I23 A27 R28 V29 | D21-Q25 WeakPolarHBondContact O-CB 3.35Å; D21-Q25 VanDerWaalsContact O-CG 3.27Å; D21-Q25 WeakPolarHBondContact O-CG 3.29Å; D21-Q25 PolarHBondContact O-N 2.98Å; A22-Q25 PolarHBondContact O-N 3.07Å; I23-Q25 VanDerWaalsContact C-N 3.26Å; I23-Q25 PolarHBondContact O-N 3.33Å; Q25-A27 PolarHBondContact O-N 3.12Å; Q25-R28 WeakPolarHBondContact O-CB 3.23Å; Q25-R28 PolarHBondContact O-N 3.24Å; Q25-R28 VanDerWaalsContact O-N 3.11Å; Q25-V29 WeakPolarHBondContact O-CG2 3.47Å; Q25-V29 PolarHBondContact O-N 2.93Å |
| 26 | S | 81.3 | Confident | 74.4 | Confident | 71 Ų | 71 | 106.5 Ų | 106.5 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.8 | -37 | -179.9 | 68.5 | 0 | 0 | 0 | 0 | 112.2 | A22 I23 R28 V29 L30 | A22-S26 WeakPolarHBondContact O-CB 3.48Å; A22-S26 PolarHBondContact O-N 3.45Å; A22-S26 PolarHBondContact O-OG 3.29Å; I23-S26 WeakPolarHBondContact CA-OG 3.24Å; I23-S26 PolarHBondContact O-N 3.35Å; I23-S26 PolarHBondContact O-OG 3.49Å; I23-S26 VanDerWaalsContact O-OG 3.07Å; S26-R28 PolarHBondContact O-N 3.08Å; S26-V29 PolarHBondContact O-N 3.5Å; S26-V29 VanDerWaalsContact O-N 3.12Å; S26-L30 PolarHBondContact O-N 3.3Å |
| 27 | A | 70.6 | Confident | 73.1 | Confident | 70 Ų | 70 | 109.5 Ų | 109.5 | 58% | 0.579 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.8 | -32.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I23 Q25 | I23-A27 VanDerWaalsContact O-CB 3.26Å; I23-A27 WeakPolarHBondContact O-CB 3.33Å; I23-A27 PolarHBondContact O-N 3.49Å; Q25-A27 PolarHBondContact O-N 3.12Å |
| 28 | R | 67.2 | Low | 70.2 | Confident | 163 Ų | 163 | 111 Ų | 111 | 62% | 0.615 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.9 | -30.1 | 174.5 | -73.2 | -176.8 | -115.1 | -137.6 | 2.5 | 112.8 | S24 Q25 S26 K32 | S24-R28 WeakPolarHBondContact O-CG 3.28Å; S24-R28 PolarHBondContact O-NE 3.36Å; Q25-R28 WeakPolarHBondContact O-CB 3.23Å; Q25-R28 PolarHBondContact O-N 3.24Å; Q25-R28 VanDerWaalsContact O-N 3.11Å; S26-R28 PolarHBondContact O-N 3.08Å; R28-K32 PolarHBondContact O-N 3.43Å |
| 29 | V | 58.8 | Low | 67.6 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 68% | 0.679 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -78.9 | -33.8 | -178.8 | 171 | 0 | 0 | 0 | 0 | 112.2 | Q25 S26 G31 | Q25-V29 WeakPolarHBondContact O-CG2 3.47Å; Q25-V29 PolarHBondContact O-N 2.93Å; S26-V29 PolarHBondContact O-N 3.5Å; S26-V29 VanDerWaalsContact O-N 3.12Å; V29-G31 PolarHBondContact O-N 3.01Å |
| 30 | L | 56 | Low | 64.5 | Low | 170 Ų | 170 | 117 Ų | 117 | 89% | 0.89 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -17 | 174.3 | -159.9 | 69.5 | 0 | 0 | 0 | 112.7 | S26 | S26-L30 PolarHBondContact O-N 3.3Š|
| 31 | G | 58 | Low | 61.6 | Low | 59 Ų | 59 | 118 Ų | 118 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 3.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | V29 | V29-G31 PolarHBondContact O-N 3.01Š|
| 32 | K | 51.8 | Low | 58.7 | Low | 156 Ų | 156 | 120.4 Ų | 120.4 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | trans | -135.3 | 109 | 176.6 | -86.1 | 98.6 | 178.4 | -176.5 | 0 | 111.6 | R28 | R28-K32 PolarHBondContact O-N 3.43Š| ||
| 33 | S | 48.6 | Very low | 56.1 | Low | 120 Ų | 120 | 126.5 Ų | 126.5 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | trans | -49.7 | 137.4 | 157.9 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | G35 | S33-G35 PolarHBondContact O-N 3.5Š| ||
| 34 | R | 54.7 | Low | 53.6 | Low | 241 Ų | 241 | 129.4 Ų | 129.4 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | trans | -62.8 | 100.4 | -178.7 | -179.5 | 169.9 | 175.9 | 163.4 | -2.8 | 110.7 | ||||
| 35 | G | 39.5 | Very low | 51.2 | Low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | -126.3 | 128.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S33 | S33-G35 PolarHBondContact O-N 3.5Š| ||
| 36 | K | 51 | Low | 48.6 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | -81.3 | -168.8 | -170.6 | -46.1 | 175 | 169.9 | 175.4 | 0 | 112.9 | ||||
| 37 | P | 63.5 | Low | 46.3 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | -111.4 | 145.6 | -121.8 | 33.7 | -13.2 | 0 | 0 | 0 | 114.1 | |||||
| 38 | L | 32.8 | Very low | 45.4 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -162.1 | 111.5 | 162.9 | -157.6 | 63.1 | 0 | 0 | 0 | 114.2 | ||||
| 39 | L | 41 | Very low | 43.7 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | 23.6 | 151.6 | 141.1 | -52.1 | 176 | 0 | 0 | 0 | 123.6 | ||||
| 40 | T | 26.3 | Very low | 42.5 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 86.9 | 112.3 | 148.3 | 75.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 41 | S | 34.9 | Very low | 41.3 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 47.1 | 124.8 | 120.1 | -170 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 42 | S | 33.5 | Very low | 40.2 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | 165.2 | 147.6 | 119.4 | -169 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 43 | E | 38.8 | Very low | 40.2 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -80.8 | -177.9 | -171 | -60.8 | 173.6 | 79.9 | 0 | 0 | 116.3 | ||||
| 44 | E | 36.6 | Very low | 39.6 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | 81.8 | 114.9 | 161.9 | -89.3 | -155.2 | 58.2 | 0 | 0 | 119.6 | ||||
| 45 | R | 42.4 | Very low | 39 | Very low | 198 Ų | 198 | 132.7 Ų | 132.7 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | 100.8 | 133.1 | 79.1 | -156.6 | -178.7 | -176.8 | 171.4 | 3.3 | 109 | |||||
| 46 | T | 32.7 | Very low | 39.3 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | -179.8 | 141.6 | 54.8 | -27.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 47 | G | 34.4 | Very low | 38.7 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 87.7 | 156.5 | 133.3 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 48 | P | 50.9 | Low | 37.1 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -125.2 | -179.3 | -138.5 | 40.2 | -24.2 | 0 | 0 | 0 | 115.5 | ||||
| 49 | T | 32.3 | Very low | 37.2 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 156.3 | 123.4 | 138.3 | -74.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 50 | T | 33.7 | Very low | 37.2 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | 61.3 | 139.6 | 142.7 | -52 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 51 | G | 30.8 | Very low | 37.7 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | cis | 155.3 | 127.1 | 4.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 52 | S | 34.5 | Very low | 37.9 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | 69.5 | 135 | 159.9 | -152.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 53 | P | 51.2 | Low | 37.8 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -99.8 | 154.2 | 175.2 | 38.7 | -31.4 | 0 | 0 | 0 | 113.1 | ||||
| 54 | E | 35.4 | Very low | 37.7 | Very low | 194 Ų | 194 | 127.1 Ų | 127.1 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | trans | -119.6 | 135.6 | 167.3 | 65.3 | -167.7 | 133.4 | 0 | 0 | 112.6 | ||||
| 55 | N | 41.9 | Very low | 37.6 | Very low | 136 Ų | 136 | 128 Ų | 128 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -84.6 | 133.4 | -175 | 172.2 | -44 | 0 | 0 | 0 | 109.1 | V57 | N55-V57 PolarHBondContact OD1-N 3.35Š| ||
| 56 | L | 46.2 | Very low | 37.1 | Very low | 174 Ų | 174 | 126 Ų | 126 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -132 | 113.4 | 155.6 | -69.6 | 178.1 | 0 | 0 | 0 | 109.8 | ||||
| 57 | V | 38.5 | Very low | 37.5 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -71.9 | 169.5 | 173.8 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | N55 | N55-V57 PolarHBondContact OD1-N 3.35Š| ||
| 58 | S | 31.3 | Very low | 37.2 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | 100 | 140.3 | 150.1 | -128.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 59 | S | 33.2 | Very low | 36.4 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -178.3 | 150.1 | -22.1 | -86.4 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 60 | S | 41 | Very low | 36.7 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -69.1 | 170.8 | -176 | -62.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 61 | E | 36.7 | Very low | 36.9 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | 110.9 | 114.1 | 141.9 | -56.5 | -61.4 | 81.2 | 0 | 0 | 119.6 | ||||
| 62 | L | 39.3 | Very low | 37 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | 81.8 | 121.3 | 118.9 | -71.9 | 174.2 | 0 | 0 | 0 | 124.9 | |||||
| 63 | T | 32.7 | Very low | 37 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 66.1 | 151 | 143.2 | 101.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 64 | S | 35.2 | Very low | 36.6 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | cis | -172.9 | 152.8 | 25 | -95.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 65 | Q | 34.4 | Very low | 36.7 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | 85.5 | 115.6 | 138.9 | -73.6 | 177.2 | 54.4 | 0 | 0 | 126.6 | ||||
| 66 | L | 33.3 | Very low | 36.6 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | 60 | 165.8 | 133.1 | -111.5 | 75.4 | 0 | 0 | 0 | 122.8 | ||||
| 67 | P | 41.5 | Very low | 35.9 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | -138.3 | 163.8 | -13.2 | 34.9 | -14.7 | 0 | 0 | 0 | 117.8 | ||||
| 68 | G | 28 | Very low | 36.3 | Very low | 73 Ų | 73 | 134.5 Ų | 134.5 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | 96.5 | 116.8 | 138.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 69 | E | 33.1 | Very low | 36.5 | Very low | 203 Ų | 203 | 137.6 Ų | 137.6 | 95% | 0.949 | 77% | 0.768 | S | S | * | * | -171.4 | 153.7 | 118.7 | -107.6 | -173.3 | 107.7 | 0 | 0 | 111.5 | |||||
| 70 | V | 38.4 | Very low | 36.9 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -95.4 | 135.2 | -162.9 | -165.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 71 | M | 38.3 | Very low | 37 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | trans | -153.2 | 109.2 | 151.1 | -106.7 | -101.9 | 84.3 | 0 | 0 | 110.5 | ||||
| 72 | D | 33 | Very low | 37.3 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | trans | -58.2 | 134.6 | 159.3 | 173.7 | 65.2 | 0 | 0 | 0 | 111.5 | ||||
| 73 | A | 35 | Very low | 37.1 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -167 | 90.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 74 | S | 43 | Very low | 37.7 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | trans | -74 | 156.9 | 166.1 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 75 | E | 36.2 | Very low | 37.6 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 76.2 | 100 | 160.4 | -46.1 | -58.2 | 102.5 | 0 | 0 | 119.1 | ||||
| 76 | L | 39.2 | Very low | 38.6 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | -161.3 | 104.1 | 128 | -154 | 67.6 | 0 | 0 | 0 | 113.4 | |||||
| 77 | E | 33 | Very low | 39.1 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | trans | 70.4 | 91.2 | 135.8 | -59.2 | -174.9 | 127 | 0 | 0 | 121.4 | L79 | E77-L79 PolarHBondContact O-N 3.14Š| ||
| 78 | K | 45.5 | Very low | 40 | Very low | 204 Ų | 204 | 135 Ų | 135 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | 10.9 | 98.3 | 115.2 | -170.3 | -177.1 | -179.3 | -169.4 | 0 | 116.2 | |||||
| 79 | L | 36.6 | Very low | 40.7 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -138.5 | 101.1 | 148.5 | -69.6 | 177.5 | 0 | 0 | 0 | 110.1 | E77 | E77-L79 PolarHBondContact O-N 3.14Š| ||
| 80 | N | 41.3 | Very low | 41.6 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -84.7 | 143.8 | 151.9 | -117.4 | -50.9 | 0 | 0 | 0 | 106.8 | ||||
| 81 | P | 42.8 | Very low | 42 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | -139.1 | 130.6 | 115.5 | 24.5 | -5.7 | 0 | 0 | 0 | 113.7 | |||||
| 82 | T | 43.8 | Very low | 42.3 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -41.1 | 138.6 | 153.8 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 83 | G | 34.4 | Very low | 43.3 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -177.8 | 86.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 84 | C | 44.7 | Very low | 44 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -65.3 | 130.5 | 163.1 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 85 | S | 34.6 | Very low | 44.8 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -140.6 | 88.7 | 164.4 | -165.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 86 | S | 54.8 | Low | 45.5 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -63.2 | 123.1 | 150.8 | -50.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 87 | D | 44.6 | Very low | 46.5 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -170.6 | 125.6 | 148.4 | -90.2 | -39.1 | 0 | 0 | 0 | 110.6 | S89 | D87-S89 PolarHBondContact O-N 3.47Š| ||
| 88 | V | 60.2 | Low | 47.5 | Very low | 144 Ų | 144 | 126.8 Ų | 126.8 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | trans | -54.1 | 120.8 | 174 | 49.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 89 | S | 41.9 | Very low | 48.4 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -148.2 | 95.4 | 160.7 | -156.4 | 0 | 0 | 0 | 0 | 110.1 | D87 R91 | D87-S89 PolarHBondContact O-N 3.47Å; S89-R91 PolarHBondContact O-N 3.14Å | ||
| 90 | G | 51.5 | Low | 50.1 | Low | 81 Ų | 81 | 116.3 Ų | 116.3 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | -55.7 | 103.3 | 161 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 91 | R | 46.8 | Very low | 52.1 | Low | 219 Ų | 219 | 117.5 Ų | 117.5 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | -106.4 | 104.6 | -178.9 | -165.3 | 159.7 | 163.2 | -125.6 | -4.2 | 109.1 | S89 | S89-R91 PolarHBondContact O-N 3.14Š| ||
| 92 | S | 44.8 | Very low | 53.9 | Low | 96 Ų | 96 | 121.2 Ų | 121.2 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | -29.7 | 139.3 | 167.3 | -178.8 | 0 | 0 | 0 | 0 | 114.2 | S94 | S92-S94 PolarHBondContact O-N 3.01Å; S92-S94 PolarHBondContact O-OG 3.23Å | ||
| 93 | C | 53.6 | Low | 55.9 | Low | 122 Ų | 122 | 121 Ų | 121 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -36.8 | 123.5 | 154.8 | -68.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 94 | S | 51.6 | Low | 58.3 | Low | 92 Ų | 92 | 122.3 Ų | 122.3 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | trans | -113 | 115.3 | 167.7 | -58.4 | 0 | 0 | 0 | 0 | 106.4 | S92 A96 | S92-S94 PolarHBondContact O-N 3.01Å; S92-S94 PolarHBondContact O-OG 3.23Å; S94-A96 PolarHBondContact O-N 3.24Å; S94-A96 VanDerWaalsContact O-N 3.07Å | ||
| 95 | L | 58.8 | Low | 60.5 | Low | 181 Ų | 181 | 124 Ų | 124 | 95% | 0.948 | 76% | 0.755 | S | S | * | * | trans | -53.1 | 113.2 | 165.4 | -86.5 | 78.3 | 0 | 0 | 0 | 107.8 | ||||
| 96 | A | 51.8 | Low | 63.3 | Low | 82 Ų | 82 | 122.8 Ų | 122.8 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | -116.6 | 154 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | S94 | S94-A96 PolarHBondContact O-N 3.24Å; S94-A96 VanDerWaalsContact O-N 3.07Å | ||
| 97 | A | 58.7 | Low | 65.2 | Low | 78 Ų | 78 | 122.4 Ų | 122.4 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | trans | -43 | 163.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G99 | A97-G99 PolarHBondContact O-N 3.46Š| ||
| 98 | P | 54 | Low | 67.6 | Low | 148 Ų | 148 | 118.4 Ų | 118.4 | 96% | 0.961 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -69 | 69.9 | 170.1 | 30.9 | -34 | 0 | 0 | 0 | 110 | ||
| 99 | G | 64.1 | Low | 69.1 | Low | 50 Ų | 50 | 111.7 Ų | 111.7 | 52% | 0.515 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -115.9 | 134.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | A97 E101 | A97-G99 PolarHBondContact O-N 3.46Å; G99-E101 PolarHBondContact O-N 3.46Å |
| 100 | T | 73.5 | Confident | 71.4 | Confident | 102 Ų | 102 | 113 Ų | 113 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | trans | -37.5 | 110.5 | -171.8 | 50.4 | 0 | 0 | 0 | 0 | 113.2 | Y102 | T100-Y102 VanDerWaalsContact O-CD2 3.24Å; T100-Y102 WeakPolarHBondContact O-CD2 3.26Å; T100-Y102 WeakPolarHBondContact O-CE2 3.31Å; T100-Y102 PolarHBondContact O-N 3.16Å; T100-Y102 PolarHBondContact OG1-OH 3.47Å | ||
| 101 | E | 82.3 | Confident | 73.2 | Confident | 171 Ų | 171 | 113.7 Ų | 113.7 | 80% | 0.799 | 66% | 0.66 | S | S | * | * | trans | -68.4 | 123.5 | 172.5 | -58.1 | -122.9 | 156.2 | 0 | 0 | 108.1 | G99 | G99-E101 PolarHBondContact O-N 3.46Š| ||
| 102 | Y | 81.6 | Confident | 75.3 | Confident | 198 Ų | 198 | 106.6 Ų | 106.6 | 78% | 0.776 | 64% | 0.643 | S | S | * | * | trans | -94.7 | 115.9 | 175.5 | -63.9 | -81.5 | 0 | 0 | 0 | 108.4 | T100 V104 | T100-Y102 VanDerWaalsContact O-CD2 3.24Å; T100-Y102 WeakPolarHBondContact O-CD2 3.26Å; T100-Y102 WeakPolarHBondContact O-CE2 3.31Å; T100-Y102 PolarHBondContact O-N 3.16Å; T100-Y102 PolarHBondContact OG1-OH 3.47Å; Y102-V104 PolarHBondContact O-N 3.46Å | ||
| 103 | C | 84.9 | Confident | 77.4 | Confident | 133 Ų | 133 | 104.3 Ų | 104.3 | 90% | 0.899 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 122.4 | 169.2 | -63.1 | 0 | 0 | 0 | 0 | 109 | ||
| 104 | V | 85.3 | Confident | 79.3 | Confident | 100 Ų | 100 | 102.2 Ų | 102.2 | 61% | 0.606 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 131.7 | 172.9 | -178 | 0 | 0 | 0 | 0 | 108.6 | Y102 L106 T117 | Y102-V104 PolarHBondContact O-N 3.46Å; V104-L106 HydrophobicContact CG1-CD2 4.18Å; V104-T117 HydrophobicContact CG1-CG2 3.8Å |
| 105 | L | 90.4 | Very high | 81.4 | Confident | 154 Ų | 154 | 103.4 Ų | 103.4 | 81% | 0.806 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -82 | 125.5 | 171.6 | -68.2 | 175.4 | 0 | 0 | 0 | 109.1 | ||
| 106 | L | 94.2 | Very high | 83 | Confident | 82 Ų | 82 | 95.5 Ų | 95.5 | 43% | 0.429 | 57% | 0.567 | S | S | . | * | trans | -112.3 | 143.5 | 175.8 | -61 | 174.9 | 0 | 0 | 0 | 109.7 | V104 E115 T117 | V104-L106 HydrophobicContact CG1-CD2 4.18Å; L106-E115 HydrophobicContact CD1-CB 4.39Å; L106-T117 HydrophobicContact CD2-CG2 3.42Å; L106-T117 VanDerWaalsContact CD2-CG2 3.42Å | ||
| 107 | F | 95.3 | Very high | 85.1 | Confident | 88 Ų | 88 | 96.2 Ų | 96.2 | 39% | 0.386 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98 | 132.6 | 168.5 | -58.5 | -83.1 | 0 | 0 | 0 | 108.6 | E115 S116 K119 L122 | F107-E115 CarbonylContact O-C 3.57Å; F107-E115 WeakPolarHBondContact O-CA 3.48Å; F107-S116 PolarHBondContact N-O 3.02Å; F107-S116 PolarHBondContact O-N 3.12Å; F107-K119 HydrophobicContact CD2-CB 4.32Å; F107-K119 HydrophobicContact CE1-CB 4.28Å; F107-K119 HydrophobicContact CE2-CB 3.99Å; F107-K119 HydrophobicContact CZ-CB 3.97Å; F107-L122 HydrophobicContact CB-CB 4.15Å; F107-L122 HydrophobicContact CB-CD2 3.51Å; F107-L122 HydrophobicContact CB-CG 4.41Å |
| 108 | C | 94.9 | Very high | 86.7 | Confident | 66 Ų | 66 | 93.9 Ų | 93.9 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.1 | -174.2 | -49.7 | 0 | 0 | 0 | 0 | 111.6 | F114 L122 | C108-F114 CarbonylContact C-O 3.47Å; C108-F114 VanDerWaalsContact CA-O 3.31Å; C108-F114 WeakPolarHBondContact CA-O 3.35Å; C108-L122 WeakPolarHBondContact O-CD2 3.39Å |
| 109 | C | 91.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 92.9 Ų | 92.9 | 3% | 0.027 | 52% | 0.522 | C | S | . | . | trans | -79.9 | 125.5 | 170.9 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | I111 G113 F114 L122 | C109-I111 PolarHBondContact O-N 3.34Å; C109-G113 VanDerWaalsContact O-CA 3.28Å; C109-G113 WeakPolarHBondContact O-CA 3.46Å; C109-G113 PolarHBondContact O-N 3.21Å; C109-F114 HydrophobicContact CB-CB 3.94Å; C109-F114 PolarHBondContact N-O 3.48Å; C109-L122 HydrophobicContact CB-CD1 3.61Å | ||
| 110 | C | 89.5 | Confident | 89.9 | Confident | 127 Ų | 127 | 96.8 Ų | 96.8 | 86% | 0.858 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -15.9 | -178.8 | -59.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 111 | I | 88.4 | Confident | 90.8 | Very high | 95 Ų | 95 | 94.1 Ų | 94.1 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -46.1 | -171.7 | -57.7 | 166.8 | 0 | 0 | 0 | 110.7 | C109 H129 I133 | C109-I111 PolarHBondContact O-N 3.34Å; I111-H129 HydrophobicContact CD1-CB 3.39Å; I111-H129 WeakPolarHBondContact CG2-ND1 3.34Å; I111-I133 HydrophobicContact CD1-CD1 3.82Å |
| 112 | C | 91.8 | Very high | 91.3 | Very high | 70 Ų | 70 | 86.8 Ų | 86.8 | 47% | 0.473 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -3.4 | -175 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | F114 H125 H129 | C112-F114 VanDerWaalsContact C-N 3.31Å; C112-F114 PolarHBondContact O-N 2.82Å; C112-H125 PolarHBondContact SG-NE2 3.01Å; C112-H129 PolarHBondContact SG-NE2 2.85Å |
| 113 | G | 89.9 | Confident | 91.8 | Very high | 48 Ų | 48 | 81.6 Ų | 81.6 | 50% | 0.495 | 46% | 0.464 | S | S | . | . | trans | 75.5 | 14.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | C109 E115 | C109-G113 VanDerWaalsContact O-CA 3.28Å; C109-G113 WeakPolarHBondContact O-CA 3.46Å; C109-G113 PolarHBondContact O-N 3.21Å; G113-E115 PolarHBondContact O-N 3.31Å | ||
| 114 | F | 92.9 | Very high | 92.1 | Very high | 78 Ų | 78 | 80 Ų | 80 | 34% | 0.342 | 45% | 0.447 | S | S | . | . | trans | -56.8 | 130.7 | 170.7 | 173.7 | -104.1 | 0 | 0 | 0 | 110.9 | C108 C109 C112 L122 H125 | C108-F114 CarbonylContact C-O 3.47Å; C108-F114 VanDerWaalsContact CA-O 3.31Å; C108-F114 WeakPolarHBondContact CA-O 3.35Å; C109-F114 HydrophobicContact CB-CB 3.94Å; C109-F114 PolarHBondContact N-O 3.48Å; C112-F114 VanDerWaalsContact C-N 3.31Å; C112-F114 PolarHBondContact O-N 2.82Å; F114-L122 HydrophobicContact CD1-CD1 4.19Å; F114-H125 WeakPolarHBondContact CB-NE2 3.37Å; F114-H125 HydrophobicContact CD1-CB 4.01Å; F114-H125 AromaticContact CD1-CD2 3.52Å; F114-H125 AromaticContact CD1-CG 3.6Å; F114-H125 HydrophobicContact CE1-CB 4.03Å; F114-H125 AromaticContact CG-CD2 3.88Å; F114-H125 AromaticContact CG-NE2 3.92Å | ||
| 115 | E | 95.7 | Very high | 92.5 | Very high | 117 Ų | 117 | 76.6 Ų | 76.6 | 55% | 0.547 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136 | 179.9 | -57.4 | -175.1 | 150.7 | 0 | 0 | 110.3 | L106 F107 G113 | L106-E115 HydrophobicContact CD1-CB 4.39Å; F107-E115 CarbonylContact O-C 3.57Å; F107-E115 WeakPolarHBondContact O-CA 3.48Å; G113-E115 PolarHBondContact O-N 3.31Å |
| 116 | S | 92.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 72.9 Ų | 72.9 | 10% | 0.098 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 144.9 | 175.6 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | F107 S118 S121 | F107-S116 PolarHBondContact N-O 3.02Å; F107-S116 PolarHBondContact O-N 3.12Å; S116-S118 PolarHBondContact O-N 3.02Å; S116-S118 PolarHBondContact OG-N 3.33Å; S116-S118 PolarHBondContact OG-O 3.11Å; S116-S121 VanDerWaalsContact OG-CB 3.24Å; S116-S121 WeakPolarHBondContact OG-CB 3.45Å; S116-S121 PolarHBondContact OG-OG 3.48Å |
| 117 | T | 94.6 | Very high | 92.2 | Very high | 98 Ų | 98 | 74.8 Ų | 74.8 | 60% | 0.601 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -73.6 | -8.4 | 172 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | V104 L106 | V104-T117 HydrophobicContact CG1-CG2 3.8Å; L106-T117 HydrophobicContact CD2-CG2 3.42Å; L106-T117 VanDerWaalsContact CD2-CG2 3.42Å |
| 118 | S | 92.4 | Very high | 91.6 | Very high | 28 Ų | 28 | 76.9 Ų | 76.9 | 20% | 0.196 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -126.7 | 140.7 | -177.8 | 94.9 | 0 | 0 | 0 | 0 | 113.2 | S116 E120 S121 L122 | S116-S118 PolarHBondContact O-N 3.02Å; S116-S118 PolarHBondContact OG-N 3.33Å; S116-S118 PolarHBondContact OG-O 3.11Å; S118-E120 WeakPolarHBondContact CB-OE1 3.26Å; S118-E120 PolarHBondContact OG-OE1 2.89Å; S118-S121 VanDerWaalsContact OG-CB 3.27Å; S118-S121 WeakPolarHBondContact OG-CB 2.98Å; S118-S121 PolarHBondContact OG-N 3.35Å; S118-L122 PolarHBondContact O-N 2.87Å |
| 119 | K | 92.1 | Very high | 91 | Very high | 128 Ų | 128 | 74.8 Ų | 74.8 | 56% | 0.557 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -70.1 | -40 | -175.1 | 179.7 | -177.9 | 173.6 | -176 | 0 | 111.1 | F107 S121 L122 L123 | F107-K119 HydrophobicContact CD2-CB 4.32Å; F107-K119 HydrophobicContact CE1-CB 4.28Å; F107-K119 HydrophobicContact CE2-CB 3.99Å; F107-K119 HydrophobicContact CZ-CB 3.97Å; K119-S121 VanDerWaalsContact C-N 3.33Å; K119-S121 PolarHBondContact O-N 3.07Å; K119-L122 PolarHBondContact O-N 3.27Å; K119-L123 HydrophobicContact CG-CD1 4.04Å; K119-L123 HydrophobicContact CG-CG 4.43Å; K119-L123 WeakPolarHBondContact O-CG 3.37Å; K119-L123 PolarHBondContact O-N 2.94Å |
| 120 | E | 93.8 | Very high | 89.9 | Confident | 132 Ų | 132 | 80.7 Ų | 80.7 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 179 | 61.8 | -76.9 | 173.1 | 0 | 0 | 112.3 | S118 L123 D124 | S118-E120 WeakPolarHBondContact CB-OE1 3.26Å; S118-E120 PolarHBondContact OG-OE1 2.89Å; E120-L123 PolarHBondContact O-N 3.42Å; E120-D124 PolarHBondContact O-N 3.5Å |
| 121 | S | 92.9 | Very high | 88.6 | Confident | 46 Ų | 46 | 77.3 Ų | 77.3 | 32% | 0.322 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 175.4 | 165.6 | 0 | 0 | 0 | 0 | 111.5 | S116 S118 K119 H125 | S116-S121 VanDerWaalsContact OG-CB 3.24Å; S116-S121 WeakPolarHBondContact OG-CB 3.45Å; S116-S121 PolarHBondContact OG-OG 3.48Å; S118-S121 VanDerWaalsContact OG-CB 3.27Å; S118-S121 WeakPolarHBondContact OG-CB 2.98Å; S118-S121 PolarHBondContact OG-N 3.35Å; K119-S121 VanDerWaalsContact C-N 3.33Å; K119-S121 PolarHBondContact O-N 3.07Å; S121-H125 WeakPolarHBondContact O-CB 3.33Å; S121-H125 PolarHBondContact O-N 3.35Å; S121-H125 VanDerWaalsContact O-N 3.09Å |
| 122 | L | 93.5 | Very high | 87.2 | Confident | 17 Ų | 17 | 79.2 Ų | 79.2 | 9% | 0.089 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 174.6 | 177.6 | 64.3 | 0 | 0 | 0 | 111.9 | F107 C108 C109 F114 S118 K119 D124 H125 M126 | F107-L122 HydrophobicContact CB-CB 4.15Å; F107-L122 HydrophobicContact CB-CD2 3.51Å; F107-L122 HydrophobicContact CB-CG 4.41Å; C108-L122 WeakPolarHBondContact O-CD2 3.39Å; C109-L122 HydrophobicContact CB-CD1 3.61Å; F114-L122 HydrophobicContact CD1-CD1 4.19Å; S118-L122 PolarHBondContact O-N 2.87Å; K119-L122 PolarHBondContact O-N 3.27Å; L122-D124 PolarHBondContact O-N 3.21Å; L122-H125 PolarHBondContact O-N 2.86Å; L122-M126 HydrophobicContact CD1-CG 4.15Å; L122-M126 HydrophobicContact CD1-SD 4.38Å; L122-M126 HydrophobicContact CD2-SD 4.36Å; L122-M126 HydrophobicContact CG-CG 4.28Å; L122-M126 HydrophobicContact CG-SD 4.03Å; L122-M126 WeakPolarHBondContact O-CB 3.41Å; L122-M126 VanDerWaalsContact O-CG 3.26Å; L122-M126 WeakPolarHBondContact O-CG 3.27Å; L122-M126 PolarHBondContact O-N 3.04Å |
| 123 | L | 91 | Very high | 85.6 | Confident | 89 Ų | 89 | 79.7 Ų | 79.7 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | -179.3 | -78.3 | 170.7 | 0 | 0 | 0 | 112.7 | K119 E120 M126 K127 | K119-L123 HydrophobicContact CG-CD1 4.04Å; K119-L123 HydrophobicContact CG-CG 4.43Å; K119-L123 WeakPolarHBondContact O-CG 3.37Å; K119-L123 PolarHBondContact O-N 2.94Å; E120-L123 PolarHBondContact O-N 3.42Å; L123-M126 PolarHBondContact O-N 3.29Å; L123-K127 WeakPolarHBondContact O-CG 3.33Å; L123-K127 PolarHBondContact O-N 3.4Å |
| 124 | D | 91.6 | Very high | 84.1 | Confident | 99 Ų | 99 | 81.1 Ų | 81.1 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.1 | -44.9 | 175.4 | -161.3 | 57.3 | 0 | 0 | 0 | 111 | E120 L122 M126 K127 | E120-D124 PolarHBondContact O-N 3.5Å; L122-D124 PolarHBondContact O-N 3.21Å; D124-M126 VanDerWaalsContact C-N 3.32Å; D124-M126 PolarHBondContact O-N 3.43Å; D124-K127 WeakPolarHBondContact O-CB 3.49Å; D124-K127 PolarHBondContact O-N 2.97Å; D124-K127 VanDerWaalsContact O-N 3.08Å |
| 125 | H | 92.4 | Very high | 82.3 | Confident | 28 Ų | 28 | 80.2 Ų | 80.2 | 13% | 0.13 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 173.9 | 172.4 | 70.5 | 0 | 0 | 0 | 112.9 | C112 F114 S121 L122 K127 E128 H129 | C112-H125 PolarHBondContact SG-NE2 3.01Å; F114-H125 WeakPolarHBondContact CB-NE2 3.37Å; F114-H125 HydrophobicContact CD1-CB 4.01Å; F114-H125 AromaticContact CD1-CD2 3.52Å; F114-H125 AromaticContact CD1-CG 3.6Å; F114-H125 HydrophobicContact CE1-CB 4.03Å; F114-H125 AromaticContact CG-CD2 3.88Å; F114-H125 AromaticContact CG-NE2 3.92Å; S121-H125 WeakPolarHBondContact O-CB 3.33Å; S121-H125 PolarHBondContact O-N 3.35Å; S121-H125 VanDerWaalsContact O-N 3.09Å; L122-H125 PolarHBondContact O-N 2.86Å; H125-K127 PolarHBondContact O-N 2.8Å; H125-E128 IonicContact ND1-OE2 3.32Å; H125-E128 PolarHBondContact ND1-OE2 2.96Å; H125-E128 WeakPolarHBondContact O-CB 3.37Å; H125-E128 PolarHBondContact O-N 2.89Å; H125-E128 VanDerWaalsContact O-N 3.12Å; H125-H129 AromaticContact CD2-NE2 3.86Å; H125-H129 AromaticContact CE1-NE2 3.34Å; H125-H129 PolarHBondContact CE1-NE2 3.38Å; H125-H129 VanDerWaalsContact CE1-NE2 3.34Å; H125-H129 AromaticContact NE2-CD2 3.71Å; H125-H129 AromaticContact NE2-NE2 2.98Å; H125-H129 PolarHBondContact NE2-NE2 2.99Å; H125-H129 PolarHBondContact O-CD2 2.69Å |
| 126 | M | 89.2 | Confident | 80.7 | Confident | 77 Ų | 77 | 80.8 Ų | 80.8 | 38% | 0.379 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62 | -27.7 | 177.7 | -76.5 | 178.6 | 70.4 | 0 | 0 | 112.9 | L122 L123 D124 E128 H129 | L122-M126 HydrophobicContact CD1-CG 4.15Å; L122-M126 HydrophobicContact CD1-SD 4.38Å; L122-M126 HydrophobicContact CD2-SD 4.36Å; L122-M126 HydrophobicContact CG-CG 4.28Å; L122-M126 HydrophobicContact CG-SD 4.03Å; L122-M126 WeakPolarHBondContact O-CB 3.41Å; L122-M126 VanDerWaalsContact O-CG 3.26Å; L122-M126 WeakPolarHBondContact O-CG 3.27Å; L122-M126 PolarHBondContact O-N 3.04Å; L123-M126 PolarHBondContact O-N 3.29Å; D124-M126 VanDerWaalsContact C-N 3.32Å; D124-M126 PolarHBondContact O-N 3.43Å; M126-E128 VanDerWaalsContact C-N 3.31Å; M126-E128 PolarHBondContact O-N 3.46Å; M126-H129 PolarHBondContact O-N 3.34Å |
| 127 | K | 89 | Confident | 79.2 | Confident | 121 Ų | 121 | 85.7 Ų | 85.7 | 53% | 0.526 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.2 | -29.1 | 176.6 | -65.8 | 170.3 | -176.1 | 178.7 | 0 | 112.6 | L123 D124 H125 H129 E130 | L123-K127 WeakPolarHBondContact O-CG 3.33Å; L123-K127 PolarHBondContact O-N 3.4Å; D124-K127 WeakPolarHBondContact O-CB 3.49Å; D124-K127 PolarHBondContact O-N 2.97Å; D124-K127 VanDerWaalsContact O-N 3.08Å; H125-K127 PolarHBondContact O-N 2.8Å; K127-H129 PolarHBondContact O-N 2.85Å; K127-E130 WeakPolarHBondContact O-CB 3.38Å; K127-E130 PolarHBondContact O-N 3.22Å; K127-E130 VanDerWaalsContact O-N 3.07Å |
| 128 | E | 83.7 | Confident | 77.5 | Confident | 133 Ų | 133 | 87 Ų | 87 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.3 | -31.3 | 176.8 | -59.2 | 178.3 | 151.5 | 0 | 0 | 111.4 | H125 M126 E130 | H125-E128 IonicContact ND1-OE2 3.32Å; H125-E128 PolarHBondContact ND1-OE2 2.96Å; H125-E128 WeakPolarHBondContact O-CB 3.37Å; H125-E128 PolarHBondContact O-N 2.89Å; H125-E128 VanDerWaalsContact O-N 3.12Å; M126-E128 VanDerWaalsContact C-N 3.31Å; M126-E128 PolarHBondContact O-N 3.46Å; E128-E130 VanDerWaalsContact C-N 3.31Å; E128-E130 PolarHBondContact O-N 3.45Å |
| 129 | H | 82.3 | Confident | 75.7 | Confident | 21 Ų | 21 | 91.2 Ų | 91.2 | 10% | 0.097 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -17.5 | 176.7 | -66 | -78.2 | 0 | 0 | 0 | 113.8 | I111 C112 H125 M126 K127 G131 E132 I133 | I111-H129 HydrophobicContact CD1-CB 3.39Å; I111-H129 WeakPolarHBondContact CG2-ND1 3.34Å; C112-H129 PolarHBondContact SG-NE2 2.85Å; H125-H129 AromaticContact CD2-NE2 3.86Å; H125-H129 AromaticContact CE1-NE2 3.34Å; H125-H129 PolarHBondContact CE1-NE2 3.38Å; H125-H129 VanDerWaalsContact CE1-NE2 3.34Å; H125-H129 AromaticContact NE2-CD2 3.71Å; H125-H129 AromaticContact NE2-NE2 2.98Å; H125-H129 PolarHBondContact NE2-NE2 2.99Å; H125-H129 PolarHBondContact O-CD2 2.69Å; M126-H129 PolarHBondContact O-N 3.34Å; K127-H129 PolarHBondContact O-N 2.85Å; H129-G131 PolarHBondContact O-N 2.87Å; H129-E132 PolarHBondContact O-N 2.92Å; H129-I133 HydrophobicContact CB-CD1 4.42Å; H129-I133 WeakPolarHBondContact O-CG1 3.29Å; H129-I133 PolarHBondContact O-N 3.16Å |
| 130 | E | 68.2 | Low | 74 | Confident | 129 Ų | 129 | 93.5 Ų | 93.5 | 60% | 0.603 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.8 | -29.9 | -179.1 | -65.7 | -179.8 | 179.7 | 0 | 0 | 111.9 | K127 E128 V134 | K127-E130 WeakPolarHBondContact O-CB 3.38Å; K127-E130 PolarHBondContact O-N 3.22Å; K127-E130 VanDerWaalsContact O-N 3.07Å; E128-E130 VanDerWaalsContact C-N 3.31Å; E128-E130 PolarHBondContact O-N 3.45Å; E130-V134 VanDerWaalsContact O-CG2 3.31Å; E130-V134 WeakPolarHBondContact O-CG2 3.07Å; E130-V134 PolarHBondContact O-N 3.4Å |
| 131 | G | 62.2 | Low | 72 | Confident | 55 Ų | 55 | 94 Ų | 94 | 57% | 0.567 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.2 | -35.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H129 S135 | H129-G131 PolarHBondContact O-N 2.87Å; G131-S135 PolarHBondContact O-N 2.93Å |
| 132 | E | 58.9 | Low | 70.2 | Confident | 135 Ų | 135 | 100.1 Ų | 100.1 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -80.5 | -36.1 | -177.7 | -69.6 | -174.2 | 170.2 | 0 | 0 | 112.1 | H129 S135 I136 | H129-E132 PolarHBondContact O-N 2.92Å; E132-S135 PolarHBondContact O-N 2.96Å; E132-I136 WeakPolarHBondContact O-CD1 3.49Å; E132-I136 VanDerWaalsContact O-CG1 3.29Å; E132-I136 WeakPolarHBondContact O-CG1 3.37Å; E132-I136 PolarHBondContact O-N 2.97Å; E132-I136 VanDerWaalsContact O-N 3.16Å |
| 133 | I | 60 | Low | 68 | Low | 80 Ų | 80 | 105.2 Ų | 105.2 | 41% | 0.41 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -42.4 | 178.1 | -65.4 | 167.2 | 0 | 0 | 0 | 111.1 | I111 H129 I136 I137 | I111-I133 HydrophobicContact CD1-CD1 3.82Å; H129-I133 HydrophobicContact CB-CD1 4.42Å; H129-I133 WeakPolarHBondContact O-CG1 3.29Å; H129-I133 PolarHBondContact O-N 3.16Å; I133-I136 PolarHBondContact O-N 2.83Å; I133-I137 HydrophobicContact CG2-CD1 3.74Å; I133-I137 WeakPolarHBondContact O-CD1 3.32Å; I133-I137 VanDerWaalsContact O-CG1 3.26Å; I133-I137 WeakPolarHBondContact O-CG1 3.35Å; I133-I137 PolarHBondContact O-N 3.26Å; I133-I137 VanDerWaalsContact O-N 3.14Å |
| 134 | V | 57.7 | Low | 65.8 | Low | 79 Ų | 79 | 107.8 Ų | 107.8 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.8 | -38.7 | 179.4 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | E130 I137 L138 | E130-V134 VanDerWaalsContact O-CG2 3.31Å; E130-V134 WeakPolarHBondContact O-CG2 3.07Å; E130-V134 PolarHBondContact O-N 3.4Å; V134-I137 PolarHBondContact O-N 3.47Å; V134-L138 HydrophobicContact CG1-CD1 3.41Å; V134-L138 VanDerWaalsContact CG1-CD1 3.41Å; V134-L138 HydrophobicContact CG1-CG 3.99Å; V134-L138 VanDerWaalsContact O-CB 3.28Å; V134-L138 WeakPolarHBondContact O-CB 3.49Å; V134-L138 VanDerWaalsContact O-CG 3.23Å; V134-L138 WeakPolarHBondContact O-CG 3.38Å; V134-L138 PolarHBondContact O-N 2.88Å |
| 135 | S | 55.3 | Low | 63.2 | Low | 58 Ų | 58 | 111.5 Ų | 111.5 | 41% | 0.406 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.6 | -39.8 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 112.9 | G131 E132 I137 L138 N139 | G131-S135 PolarHBondContact O-N 2.93Å; E132-S135 PolarHBondContact O-N 2.96Å; S135-I137 VanDerWaalsContact C-N 3.33Å; S135-I137 PolarHBondContact O-N 2.99Å; S135-L138 PolarHBondContact O-N 3.3Å; S135-N139 VanDerWaalsContact O-CB 3.24Å; S135-N139 WeakPolarHBondContact O-CB 3.24Å; S135-N139 PolarHBondContact O-N 3.24Å; S135-N139 PolarHBondContact O-ND2 2.83Å; S135-N139 VanDerWaalsContact O-ND2 3.14Å; S135-N139 PolarHBondContact OG-ND2 3.39Å |
| 136 | I | 62.3 | Low | 61.7 | Low | 129 Ų | 129 | 115.7 Ų | 115.7 | 66% | 0.662 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.3 | -34.5 | 177 | -64.6 | 164.7 | 0 | 0 | 0 | 111.2 | E132 I133 | E132-I136 WeakPolarHBondContact O-CD1 3.49Å; E132-I136 VanDerWaalsContact O-CG1 3.29Å; E132-I136 WeakPolarHBondContact O-CG1 3.37Å; E132-I136 PolarHBondContact O-N 2.97Å; E132-I136 VanDerWaalsContact O-N 3.16Å; I133-I136 PolarHBondContact O-N 2.83Å |
| 137 | I | 59.6 | Low | 60.3 | Low | 117 Ų | 117 | 117.7 Ų | 117.7 | 60% | 0.6 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.7 | -40.7 | 176.3 | -64.9 | 167.5 | 0 | 0 | 0 | 111.3 | I133 V134 S135 | I133-I137 HydrophobicContact CG2-CD1 3.74Å; I133-I137 WeakPolarHBondContact O-CD1 3.32Å; I133-I137 VanDerWaalsContact O-CG1 3.26Å; I133-I137 WeakPolarHBondContact O-CG1 3.35Å; I133-I137 PolarHBondContact O-N 3.26Å; I133-I137 VanDerWaalsContact O-N 3.14Å; V134-I137 PolarHBondContact O-N 3.47Å; S135-I137 VanDerWaalsContact C-N 3.33Å; S135-I137 PolarHBondContact O-N 2.99Å |
| 138 | L | 59.1 | Low | 58.7 | Low | 127 Ų | 127 | 117.6 Ų | 117.6 | 67% | 0.665 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.5 | -17.5 | -177.3 | -68.6 | 178.3 | 0 | 0 | 0 | 114.1 | V134 S135 | V134-L138 HydrophobicContact CG1-CD1 3.41Å; V134-L138 VanDerWaalsContact CG1-CD1 3.41Å; V134-L138 HydrophobicContact CG1-CG 3.99Å; V134-L138 VanDerWaalsContact O-CB 3.28Å; V134-L138 WeakPolarHBondContact O-CB 3.49Å; V134-L138 VanDerWaalsContact O-CG 3.23Å; V134-L138 WeakPolarHBondContact O-CG 3.38Å; V134-L138 PolarHBondContact O-N 2.88Å; S135-L138 PolarHBondContact O-N 3.3Å |
| 139 | N | 54.5 | Low | 57.2 | Low | 115 Ų | 115 | 116.6 Ų | 116.6 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 6.7 | 179.1 | -74.2 | -26.7 | 0 | 0 | 0 | 114.8 | S135 D141 | S135-N139 VanDerWaalsContact O-CB 3.24Å; S135-N139 WeakPolarHBondContact O-CB 3.24Å; S135-N139 PolarHBondContact O-N 3.24Å; S135-N139 PolarHBondContact O-ND2 2.83Å; S135-N139 VanDerWaalsContact O-ND2 3.14Å; S135-N139 PolarHBondContact OG-ND2 3.39Å; N139-D141 VanDerWaalsContact C-N 3.27Å; N139-D141 PolarHBondContact O-N 2.98Å |
| 140 | K | 56.5 | Low | 55.7 | Low | 176 Ų | 176 | 122.6 Ų | 122.6 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 9.8 | -177.6 | -169.4 | 147.1 | 173 | 176.7 | 0 | 115.4 | ||
| 141 | D | 52.5 | Low | 54.8 | Low | 143 Ų | 143 | 122.2 Ų | 122.2 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.3 | 33.5 | 179.9 | -69 | -59 | 0 | 0 | 0 | 115.3 | N139 | N139-D141 VanDerWaalsContact C-N 3.27Å; N139-D141 PolarHBondContact O-N 2.98Å |
| 142 | H | 55.7 | Low | 54.3 | Low | 175 Ų | 175 | 127 Ų | 127 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | trans | -133.9 | 72.2 | 165.3 | -78.9 | -67.7 | 0 | 0 | 0 | 112.5 | ||||
| 143 | S | 45.5 | Very low | 54 | Low | 123 Ų | 123 | 126.4 Ų | 126.4 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | -152.7 | 70 | 155.6 | -71.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 144 | T | 44.6 | Very low | 53.5 | Low | 144 Ų | 144 | 130.3 Ų | 130.3 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -74.2 | 111.7 | 151.7 | 49 | 0 | 0 | 0 | 0 | 108 | ||||
| 145 | A | 38.1 | Very low | 53.1 | Low | 177 Ų | 177 | 134.9 Ų | 134.9 | 100% | 1.463 | 77% | 0.772 | S | S | * | * | trans | -149.9 | 0 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 145 of 145 residues in 121.4 ms
(Link to these results)