| 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 | 71.2 | Confident | 83.9 | Confident | 228 Ų | 228 | 126.9 Ų | 126.9 | 100% | 1.123 | 65% | 0.646 | S | S | * | * | 0 | 125.2 | 0 | -72.6 | -172.6 | 131.3 | 0 | 0 | 108.1 | K3 | M1-K3 PolarHBondContact O-N 3.5Š| |||
| 2 | P | 78.7 | Confident | 84.1 | Confident | 112 Ų | 112 | 120.4 Ų | 120.4 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | trans | -55.6 | 126 | 170.2 | -17.3 | 29.1 | 0 | 0 | 0 | 108.7 | F4 | P2-F4 PolarHBondContact O-N 3.32Š| ||
| 3 | K | 82.6 | Confident | 84 | Confident | 206 Ų | 206 | 122.9 Ų | 122.9 | 90% | 0.896 | 62% | 0.623 | S | S | * | * | trans | -78.3 | 114.4 | 173.7 | -73.4 | -179.4 | 178.7 | 175.6 | 0 | 107.4 | M1 I5 | M1-K3 PolarHBondContact O-N 3.5Å; K3-I5 PolarHBondContact O-N 3.41Å | ||
| 4 | F | 84.9 | Confident | 83.9 | Confident | 193 Ų | 193 | 124.4 Ų | 124.4 | 85% | 0.846 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -68 | 126 | 169.2 | -62.9 | -79.7 | 0 | 0 | 0 | 108.1 | P2 | P2-F4 PolarHBondContact O-N 3.32Š|
| 5 | I | 85.6 | Confident | 83.7 | Confident | 101 Ų | 101 | 126.5 Ų | 126.5 | 52% | 0.518 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 130.2 | 165.7 | 41.7 | 159.9 | 0 | 0 | 0 | 108 | K3 V10 | K3-I5 PolarHBondContact O-N 3.41Å; I5-V10 HydrophobicContact CD1-CG2 3.7Å; I5-V10 HydrophobicContact CG1-CG2 4.47Å |
| 6 | S | 86.5 | Confident | 83.6 | Confident | 52 Ų | 52 | 124.5 Ų | 124.5 | 36% | 0.364 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -79.4 | 158.7 | 173.4 | 68.8 | 0 | 0 | 0 | 0 | 110.4 | V8 D9 V10 | S6-V8 PolarHBondContact O-N 2.82Å; S6-D9 WeakPolarHBondContact CB-OD2 3.24Å; S6-D9 PolarHBondContact N-OD2 3.04Å; S6-D9 WeakPolarHBondContact O-CA 3.49Å; S6-D9 WeakPolarHBondContact O-CB 3.4Å; S6-D9 PolarHBondContact O-N 3.1Å; S6-D9 PolarHBondContact OG-N 2.88Å; S6-D9 PolarHBondContact OG-OD2 3.02Å; S6-V10 PolarHBondContact O-N 3.26Å; S6-V10 VanDerWaalsContact O-N 3.07Å |
| 7 | E | 87.7 | Confident | 83.3 | Confident | 136 Ų | 136 | 121.9 Ų | 121.9 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -53 | -37.1 | 173.9 | -168 | 64.1 | -154.9 | 0 | 0 | 111.5 | D9 V10 E11 | E7-D9 VanDerWaalsContact C-N 3.32Å; E7-D9 PolarHBondContact O-N 3.08Å; E7-V10 WeakPolarHBondContact O-CB 3.3Å; E7-V10 PolarHBondContact O-N 3.47Å; E7-V10 VanDerWaalsContact O-N 3.15Å; E7-E11 PolarHBondContact O-N 3.45Å |
| 8 | V | 88.5 | Confident | 83 | Confident | 107 Ų | 107 | 123.2 Ų | 123.2 | 65% | 0.648 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.6 | -40.1 | 175.8 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | S6 V10 A12 | S6-V8 PolarHBondContact O-N 2.82Å; V8-V10 VanDerWaalsContact C-N 3.34Å; V8-A12 WeakPolarHBondContact O-CB 3.49Å; V8-A12 PolarHBondContact O-N 2.91Å |
| 9 | D | 88.9 | Confident | 82.8 | Confident | 76 Ų | 76 | 121.4 Ų | 121.4 | 41% | 0.406 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69 | -34.5 | 176.8 | -59.1 | -52.2 | 0 | 0 | 0 | 111.7 | S6 E7 R13 | S6-D9 WeakPolarHBondContact CB-OD2 3.24Å; S6-D9 PolarHBondContact N-OD2 3.04Å; S6-D9 WeakPolarHBondContact O-CA 3.49Å; S6-D9 WeakPolarHBondContact O-CB 3.4Å; S6-D9 PolarHBondContact O-N 3.1Å; S6-D9 PolarHBondContact OG-N 2.88Å; S6-D9 PolarHBondContact OG-OD2 3.02Å; E7-D9 VanDerWaalsContact C-N 3.32Å; E7-D9 PolarHBondContact O-N 3.08Å; D9-R13 VanDerWaalsContact O-CG 3.31Å; D9-R13 WeakPolarHBondContact O-CG 3.27Å; D9-R13 PolarHBondContact O-N 3.04Å; D9-R13 VanDerWaalsContact O-N 3.1Å |
| 10 | V | 84.5 | Confident | 82.6 | Confident | 59 Ų | 59 | 122.2 Ų | 122.2 | 36% | 0.358 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.1 | -48.3 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | I5 S6 E7 V8 A12 R13 K14 | I5-V10 HydrophobicContact CD1-CG2 3.7Å; I5-V10 HydrophobicContact CG1-CG2 4.47Å; S6-V10 PolarHBondContact O-N 3.26Å; S6-V10 VanDerWaalsContact O-N 3.07Å; E7-V10 WeakPolarHBondContact O-CB 3.3Å; E7-V10 PolarHBondContact O-N 3.47Å; E7-V10 VanDerWaalsContact O-N 3.15Å; V8-V10 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 3.15Å; V10-R13 PolarHBondContact O-N 3.07Å; V10-K14 PolarHBondContact O-N 3.39Å |
| 11 | E | 83.9 | Confident | 81.9 | Confident | 126 Ų | 126 | 118.9 Ų | 118.9 | 59% | 0.589 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.4 | -41.1 | 177.5 | -72 | -169.6 | 163.2 | 0 | 0 | 112.2 | E7 R13 K14 K15 | E7-E11 PolarHBondContact O-N 3.45Å; E11-R13 VanDerWaalsContact C-N 3.31Å; E11-R13 PolarHBondContact O-N 3.21Å; E11-K14 PolarHBondContact O-N 3.4Å; E11-K15 WeakPolarHBondContact O-CB 3.4Å; E11-K15 PolarHBondContact O-N 2.97Å |
| 12 | A | 86.8 | Confident | 81.8 | Confident | 49 Ų | 49 | 112.4 Ų | 112.4 | 41% | 0.405 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.1 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V8 V10 K15 I16 | V8-A12 WeakPolarHBondContact O-CB 3.49Å; V8-A12 PolarHBondContact O-N 2.91Å; V10-A12 PolarHBondContact O-N 3.15Å; A12-K15 PolarHBondContact O-N 3.34Å; A12-I16 WeakPolarHBondContact O-CD1 3.41Å; A12-I16 VanDerWaalsContact O-CG1 3.26Å; A12-I16 WeakPolarHBondContact O-CG1 3.38Å; A12-I16 PolarHBondContact O-N 3.21Å |
| 13 | R | 82.8 | Confident | 81.3 | Confident | 153 Ų | 153 | 113.1 Ų | 113.1 | 58% | 0.577 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.4 | -43.2 | 175.3 | -76.4 | 178.1 | 179.4 | -167.1 | 0.2 | 112.6 | D9 V10 E11 K15 I16 Q17 | D9-R13 VanDerWaalsContact O-CG 3.31Å; D9-R13 WeakPolarHBondContact O-CG 3.27Å; D9-R13 PolarHBondContact O-N 3.04Å; D9-R13 VanDerWaalsContact O-N 3.1Å; V10-R13 PolarHBondContact O-N 3.07Å; E11-R13 VanDerWaalsContact C-N 3.31Å; E11-R13 PolarHBondContact O-N 3.21Å; R13-K15 VanDerWaalsContact C-N 3.3Å; R13-K15 PolarHBondContact O-N 3.15Å; R13-I16 PolarHBondContact O-N 3.45Å; R13-Q17 WeakPolarHBondContact O-CG 3.5Å; R13-Q17 PolarHBondContact O-N 2.83Å |
| 14 | K | 81.8 | Confident | 80.7 | Confident | 143 Ų | 143 | 111 Ų | 111 | 62% | 0.622 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.3 | -41.8 | 176.4 | -174 | 178.8 | 177.6 | -178.3 | 0 | 111.3 | V10 E11 I16 Q17 E18 | V10-K14 PolarHBondContact O-N 3.39Å; E11-K14 PolarHBondContact O-N 3.4Å; K14-I16 PolarHBondContact O-N 3.2Å; K14-Q17 PolarHBondContact O-N 3.45Å; K14-E18 WeakPolarHBondContact O-CB 3.46Å; K14-E18 PolarHBondContact O-N 3.46Å |
| 15 | K | 81.7 | Confident | 80.3 | Confident | 157 Ų | 157 | 104.4 Ų | 104.4 | 68% | 0.683 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.9 | -36.6 | 177.2 | -169.4 | 172.7 | -173.8 | 174.7 | 0 | 112.8 | E11 A12 R13 A19 | E11-K15 WeakPolarHBondContact O-CB 3.4Å; E11-K15 PolarHBondContact O-N 2.97Å; A12-K15 PolarHBondContact O-N 3.34Å; R13-K15 VanDerWaalsContact C-N 3.3Å; R13-K15 PolarHBondContact O-N 3.15Å; K15-A19 WeakPolarHBondContact O-CB 3.37Å; K15-A19 PolarHBondContact O-N 2.96Å |
| 16 | I | 82.3 | Confident | 80.1 | Confident | 94 Ų | 94 | 105.2 Ų | 105.2 | 48% | 0.482 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.5 | -46.5 | 173.4 | -67.5 | 162.9 | 0 | 0 | 0 | 110 | A12 R13 K14 E18 A19 E20 | A12-I16 WeakPolarHBondContact O-CD1 3.41Å; A12-I16 VanDerWaalsContact O-CG1 3.26Å; A12-I16 WeakPolarHBondContact O-CG1 3.38Å; A12-I16 PolarHBondContact O-N 3.21Å; R13-I16 PolarHBondContact O-N 3.45Å; K14-I16 PolarHBondContact O-N 3.2Å; I16-E18 VanDerWaalsContact C-N 3.33Å; I16-E18 PolarHBondContact O-N 3.26Å; I16-A19 PolarHBondContact O-N 2.88Å; I16-E20 HydrophobicContact CG2-CG 4.39Å; I16-E20 WeakPolarHBondContact O-CB 3.3Å; I16-E20 WeakPolarHBondContact O-CG 3.28Å; I16-E20 PolarHBondContact O-N 2.96Å |
| 17 | Q | 78 | Confident | 79.9 | Confident | 81 Ų | 81 | 113 Ų | 113 | 38% | 0.379 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.1 | -42.2 | 176.8 | -76.6 | -179.2 | -4 | 0 | 0 | 112.3 | R13 K14 E20 G21 I22 | R13-Q17 WeakPolarHBondContact O-CG 3.5Å; R13-Q17 PolarHBondContact O-N 2.83Å; K14-Q17 PolarHBondContact O-N 3.45Å; Q17-E20 CarbonylContact O-C 3.59Å; Q17-E20 PolarHBondContact O-N 3.24Å; Q17-G21 PolarHBondContact O-N 3.39Å; Q17-G21 VanDerWaalsContact O-N 3.08Å; Q17-I22 HydrophobicContact CB-CB 4.14Å; Q17-I22 HydrophobicContact CG-CD1 4.47Å; Q17-I22 PolarHBondContact O-N 3.07Å |
| 18 | E | 78.6 | Confident | 79.9 | Confident | 144 Ų | 144 | 108.3 Ų | 108.3 | 67% | 0.673 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.4 | -39.6 | 176 | -171.9 | 171.7 | -164.2 | 0 | 0 | 111.8 | K14 I16 G21 | K14-E18 WeakPolarHBondContact O-CB 3.46Å; K14-E18 PolarHBondContact O-N 3.46Å; I16-E18 VanDerWaalsContact C-N 3.33Å; I16-E18 PolarHBondContact O-N 3.26Å; E18-G21 PolarHBondContact O-N 3.2Å; E18-G21 VanDerWaalsContact O-N 3.16Å |
| 19 | A | 79.2 | Confident | 80.1 | Confident | 89 Ų | 89 | 107.7 Ų | 107.7 | 74% | 0.736 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.6 | -32.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K15 I16 G21 | K15-A19 WeakPolarHBondContact O-CB 3.37Å; K15-A19 PolarHBondContact O-N 2.96Å; I16-A19 PolarHBondContact O-N 2.88Å; A19-G21 PolarHBondContact O-N 3.44Å |
| 20 | E | 77.2 | Confident | 80.2 | Confident | 137 Ų | 137 | 109.9 Ų | 109.9 | 64% | 0.64 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 0.3 | 173.1 | -70.6 | 178.9 | 172.3 | 0 | 0 | 112.7 | I16 Q17 I22 | I16-E20 HydrophobicContact CG2-CG 4.39Å; I16-E20 WeakPolarHBondContact O-CB 3.3Å; I16-E20 WeakPolarHBondContact O-CG 3.28Å; I16-E20 PolarHBondContact O-N 2.96Å; Q17-E20 CarbonylContact O-C 3.59Å; Q17-E20 PolarHBondContact O-N 3.24Å; E20-I22 VanDerWaalsContact C-N 3.27Å; E20-I22 HydrophobicContact CB-CD1 4.32Å; E20-I22 HydrophobicContact CB-CG1 4.36Å; E20-I22 PolarHBondContact O-N 3.49Å |
| 21 | G | 69.1 | Low | 80.6 | Confident | 54 Ų | 54 | 110.4 Ų | 110.4 | 56% | 0.557 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75 | 12.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q17 E18 A19 V23 | Q17-G21 PolarHBondContact O-N 3.39Å; Q17-G21 VanDerWaalsContact O-N 3.08Å; E18-G21 PolarHBondContact O-N 3.2Å; E18-G21 VanDerWaalsContact O-N 3.16Å; A19-G21 PolarHBondContact O-N 3.44Å; G21-V23 VanDerWaalsContact C-N 3.33Å; G21-V23 PolarHBondContact O-N 2.96Å |
| 22 | I | 67.7 | Low | 81 | Confident | 92 Ų | 92 | 110.5 Ų | 110.5 | 47% | 0.472 | 59% | 0.591 | S | S | . | * | trans | -79.7 | 86.5 | 175 | -56.3 | 170.9 | 0 | 0 | 0 | 107.4 | Q17 E20 | Q17-I22 HydrophobicContact CB-CB 4.14Å; Q17-I22 HydrophobicContact CG-CD1 4.47Å; Q17-I22 PolarHBondContact O-N 3.07Å; E20-I22 VanDerWaalsContact C-N 3.27Å; E20-I22 HydrophobicContact CB-CD1 4.32Å; E20-I22 HydrophobicContact CB-CG1 4.36Å; E20-I22 PolarHBondContact O-N 3.49Å | ||
| 23 | V | 69.7 | Low | 81.4 | Confident | 126 Ų | 126 | 116 Ų | 116 | 76% | 0.764 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 122.7 | 172.6 | -179 | 0 | 0 | 0 | 0 | 108.3 | G21 A25 | G21-V23 VanDerWaalsContact C-N 3.33Å; G21-V23 PolarHBondContact O-N 2.96Å; V23-A25 PolarHBondContact O-N 3.09Å; V23-A25 VanDerWaalsContact O-N 3.14Å |
| 24 | E | 69.8 | Low | 81.9 | Confident | 161 Ų | 161 | 113.5 Ų | 113.5 | 75% | 0.752 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 120.8 | 170.7 | -173.7 | 71.3 | -142.2 | 0 | 0 | 108.7 | ||
| 25 | A | 75.4 | Confident | 82.5 | Confident | 55 Ų | 55 | 112.4 Ų | 112.4 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 138.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V23 Y27 | V23-A25 PolarHBondContact O-N 3.09Å; V23-A25 VanDerWaalsContact O-N 3.14Å; A25-Y27 PolarHBondContact O-N 3.34Å |
| 26 | P | 81.2 | Confident | 83.1 | Confident | 119 Ų | 119 | 109.4 Ų | 109.4 | 77% | 0.773 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 135.9 | 179.1 | 22.4 | -33 | 0 | 0 | 0 | 110 | D28 | P26-D28 PolarHBondContact O-N 3.3Å; P26-D28 VanDerWaalsContact O-N 3.14Å |
| 27 | Y | 84.4 | Confident | 83.8 | Confident | 214 Ų | 214 | 107.6 Ų | 107.6 | 84% | 0.839 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 120.8 | -178.3 | 178.6 | -96.1 | 0 | 0 | 0 | 110.3 | A25 | A25-Y27 PolarHBondContact O-N 3.34Š|
| 28 | D | 86.6 | Confident | 84.5 | Confident | 38 Ų | 38 | 105.7 Ų | 105.7 | 20% | 0.203 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -82.6 | 119.8 | 177.9 | -169.6 | -12.2 | 0 | 0 | 0 | 108.9 | P26 R30 | P26-D28 PolarHBondContact O-N 3.3Å; P26-D28 VanDerWaalsContact O-N 3.14Å; D28-R30 PolarHBondContact O-N 2.97Å; D28-R30 VanDerWaalsContact OD1-CB 3.3Å; D28-R30 WeakPolarHBondContact OD1-CB 3.47Å; D28-R30 WeakPolarHBondContact OD1-CG 3.49Å; D28-R30 PolarHBondContact OD1-N 3.41Å; D28-R30 IonicContact OD1-NE 2.61Å; D28-R30 PolarHBondContact OD1-NE 3Å; D28-R30 VanDerWaalsContact OD1-NE 3.11Å; D28-R30 IonicContact OD2-CZ 3.32Å; D28-R30 VanDerWaalsContact OD2-CZ 3.28Å; D28-R30 IonicContact OD2-NE 3.87Å; D28-R30 PolarHBondContact OD2-NE 3.28Å; D28-R30 IonicContact OD2-NH2 3.85Å; D28-R30 PolarHBondContact OD2-NH2 3.48Å |
| 29 | A | 92.8 | Very high | 85.2 | Confident | 94 Ų | 94 | 104.3 Ų | 104.3 | 78% | 0.777 | 56% | 0.561 | S | S | * | * | trans | -74.1 | -10.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 30 | R | 91.3 | Very high | 86.1 | Confident | 123 Ų | 123 | 106.3 Ų | 106.3 | 46% | 0.464 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -68.7 | 154.5 | 174.3 | -66 | -179.1 | -62.9 | 172.2 | 3.3 | 111.2 | D28 E34 | D28-R30 PolarHBondContact O-N 2.97Å; D28-R30 VanDerWaalsContact OD1-CB 3.3Å; D28-R30 WeakPolarHBondContact OD1-CB 3.47Å; D28-R30 WeakPolarHBondContact OD1-CG 3.49Å; D28-R30 PolarHBondContact OD1-N 3.41Å; D28-R30 IonicContact OD1-NE 2.61Å; D28-R30 PolarHBondContact OD1-NE 3Å; D28-R30 VanDerWaalsContact OD1-NE 3.11Å; D28-R30 IonicContact OD2-CZ 3.32Å; D28-R30 VanDerWaalsContact OD2-CZ 3.28Å; D28-R30 IonicContact OD2-NE 3.87Å; D28-R30 PolarHBondContact OD2-NE 3.28Å; D28-R30 IonicContact OD2-NH2 3.85Å; D28-R30 PolarHBondContact OD2-NH2 3.48Å; R30-E34 HydrophobicContact CB-CB 4.16Å; R30-E34 WeakPolarHBondContact CB-OE2 3.44Å |
| 31 | S | 92.2 | Very high | 87 | Confident | 69 Ų | 69 | 103 Ų | 103 | 48% | 0.483 | 54% | 0.54 | S | S | . | . | trans | -63.8 | 149.8 | 173.2 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | Y33 E34 R35 | S31-Y33 PolarHBondContact O-N 3.32Å; S31-Y33 VanDerWaalsContact O-N 3.12Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 WeakPolarHBondContact O-CB 3.49Å; S31-E34 PolarHBondContact O-N 3.46Å; S31-R35 PolarHBondContact O-N 3.25Å | ||
| 32 | L | 92.1 | Very high | 88.2 | Confident | 128 Ų | 128 | 106.4 Ų | 106.4 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -52.4 | -36.8 | 174.7 | 179.7 | 62.8 | 0 | 0 | 0 | 111.8 | R35 L36 | L32-R35 PolarHBondContact O-N 3.43Å; L32-L36 HydrophobicContact CD1-CD1 4.31Å; L32-L36 HydrophobicContact CD1-CG 4.31Å; L32-L36 HydrophobicContact CG-CD1 4.09Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 3.46Å |
| 33 | Y | 94.9 | Very high | 89.6 | Confident | 164 Ų | 164 | 109 Ų | 109 | 64% | 0.643 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.9 | -46.6 | 175.5 | 173.8 | -100.8 | 0 | 0 | 0 | 112.3 | S31 R35 L36 Q37 | S31-Y33 PolarHBondContact O-N 3.32Å; S31-Y33 VanDerWaalsContact O-N 3.12Å; Y33-R35 VanDerWaalsContact C-N 3.33Å; Y33-R35 PolarHBondContact O-N 2.9Å; Y33-L36 PolarHBondContact O-N 3.48Å; Y33-Q37 VanDerWaalsContact O-CB 3.24Å; Y33-Q37 WeakPolarHBondContact O-CB 3.29Å; Y33-Q37 PolarHBondContact O-N 3.3Å |
| 34 | E | 94.4 | Very high | 90.8 | Very high | 102 Ų | 102 | 107.3 Ų | 107.3 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | -179.9 | -66.3 | 174.9 | 164.8 | 0 | 0 | 111.3 | R30 S31 Q37 A38 | R30-E34 HydrophobicContact CB-CB 4.16Å; R30-E34 WeakPolarHBondContact CB-OE2 3.44Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 WeakPolarHBondContact O-CB 3.49Å; S31-E34 PolarHBondContact O-N 3.46Å; E34-Q37 PolarHBondContact O-N 3.5Å; E34-A38 WeakPolarHBondContact O-CB 3.31Å; E34-A38 PolarHBondContact O-N 2.88Å |
| 35 | R | 93.5 | Very high | 92 | Very high | 119 Ų | 119 | 105.7 Ų | 105.7 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 175.9 | -171.8 | 177.6 | -171.6 | 165.4 | 5 | 111.9 | S31 L32 Y33 A38 E39 | S31-R35 PolarHBondContact O-N 3.25Å; L32-R35 PolarHBondContact O-N 3.43Å; Y33-R35 VanDerWaalsContact C-N 3.33Å; Y33-R35 PolarHBondContact O-N 2.9Å; R35-A38 PolarHBondContact O-N 3.26Å; R35-E39 PolarHBondContact O-N 3.33Å |
| 36 | L | 95.3 | Very high | 92.9 | Very high | 95 Ų | 95 | 107.4 Ų | 107.4 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 178 | -72 | 173.7 | 0 | 0 | 0 | 111.9 | L32 Y33 E39 K40 | L32-L36 HydrophobicContact CD1-CD1 4.31Å; L32-L36 HydrophobicContact CD1-CG 4.31Å; L32-L36 HydrophobicContact CG-CD1 4.09Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 3.46Å; Y33-L36 PolarHBondContact O-N 3.48Å; L36-E39 PolarHBondContact O-N 3.47Å; L36-K40 WeakPolarHBondContact O-CB 3.39Å; L36-K40 PolarHBondContact O-N 3.24Å |
| 37 | Q | 95.7 | Very high | 93.6 | Very high | 56 Ų | 56 | 108.8 Ų | 108.8 | 26% | 0.262 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 176.7 | -174.7 | 57 | 45.9 | 0 | 0 | 110.8 | Y33 E34 E39 K40 D41 | Y33-Q37 VanDerWaalsContact O-CB 3.24Å; Y33-Q37 WeakPolarHBondContact O-CB 3.29Å; Y33-Q37 PolarHBondContact O-N 3.3Å; E34-Q37 PolarHBondContact O-N 3.5Å; Q37-E39 VanDerWaalsContact C-N 3.31Å; Q37-E39 PolarHBondContact O-N 2.91Å; Q37-K40 WeakPolarHBondContact O-CB 3.33Å; Q37-K40 PolarHBondContact O-N 2.82Å; Q37-D41 PolarHBondContact NE2-OD1 3.08Å; Q37-D41 PolarHBondContact NE2-OD2 2.87Å; Q37-D41 VanDerWaalsContact O-CG 3.23Å; Q37-D41 PolarHBondContact O-N 2.98Å |
| 38 | A | 93 | Very high | 94.1 | Very high | 40 Ų | 40 | 103.7 Ų | 103.7 | 33% | 0.331 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E34 R35 R42 | E34-A38 WeakPolarHBondContact O-CB 3.31Å; E34-A38 PolarHBondContact O-N 2.88Å; R35-A38 PolarHBondContact O-N 3.26Å; A38-R42 VanDerWaalsContact O-CB 3.23Å; A38-R42 WeakPolarHBondContact O-CB 3.2Å; A38-R42 PolarHBondContact O-N 2.86Å |
| 39 | E | 94.6 | Very high | 94.3 | Very high | 115 Ų | 115 | 105.2 Ų | 105.2 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 175.3 | -171.5 | -179.2 | 171 | 0 | 0 | 112.2 | R35 L36 Q37 K43 | R35-E39 PolarHBondContact O-N 3.33Å; L36-E39 PolarHBondContact O-N 3.47Å; Q37-E39 VanDerWaalsContact C-N 3.31Å; Q37-E39 PolarHBondContact O-N 2.91Å; E39-K43 WeakPolarHBondContact O-CB 3.43Å; E39-K43 PolarHBondContact O-N 2.94Å |
| 40 | K | 97.1 | Very high | 94.2 | Very high | 132 Ų | 132 | 105.5 Ų | 105.5 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.4 | -49.6 | 173.9 | 179.4 | -170 | 170.5 | -176 | 0 | 111 | L36 Q37 K43 Q44 | L36-K40 WeakPolarHBondContact O-CB 3.39Å; L36-K40 PolarHBondContact O-N 3.24Å; Q37-K40 WeakPolarHBondContact O-CB 3.33Å; Q37-K40 PolarHBondContact O-N 2.82Å; K40-K43 PolarHBondContact O-N 2.92Å; K40-Q44 PolarHBondContact O-N 3.43Å |
| 41 | D | 96.7 | Very high | 94.2 | Very high | 66 Ų | 66 | 101.2 Ų | 101.2 | 35% | 0.353 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | -178.1 | -64.5 | -23.2 | 0 | 0 | 0 | 110.2 | Q37 K43 Q44 E45 | Q37-D41 PolarHBondContact NE2-OD1 3.08Å; Q37-D41 PolarHBondContact NE2-OD2 2.87Å; Q37-D41 VanDerWaalsContact O-CG 3.23Å; Q37-D41 PolarHBondContact O-N 2.98Å; D41-K43 VanDerWaalsContact C-N 3.31Å; D41-K43 PolarHBondContact O-N 2.91Å; D41-Q44 WeakPolarHBondContact O-CB 2.99Å; D41-Q44 PolarHBondContact O-N 2.86Å; D41-Q44 VanDerWaalsContact O-N 3.07Å; D41-E45 WeakPolarHBondContact O-CG 3.41Å; D41-E45 PolarHBondContact O-N 3.09Å |
| 42 | R | 94.5 | Very high | 94.2 | Very high | 127 Ų | 127 | 100.7 Ų | 100.7 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -54.2 | -45.6 | 171.9 | -173.6 | -168.8 | 78.4 | 89.3 | 12.4 | 112.4 | A38 Q44 E45 E46 | A38-R42 VanDerWaalsContact O-CB 3.23Å; A38-R42 WeakPolarHBondContact O-CB 3.2Å; A38-R42 PolarHBondContact O-N 2.86Å; R42-Q44 VanDerWaalsContact C-N 3.34Å; R42-E45 PolarHBondContact O-N 2.86Å; R42-E46 IonicContact CZ-OE1 3.87Å; R42-E46 VanDerWaalsContact CZ-OE1 3.32Å; R42-E46 IonicContact NH1-OE1 3.92Å; R42-E46 PolarHBondContact NH1-OE1 3.42Å; R42-E46 IonicContact NH1-OE2 3.11Å; R42-E46 IonicContact NH2-OE1 3.78Å; R42-E46 IonicContact NH2-OE2 3.02Å; R42-E46 WeakPolarHBondContact O-CG 3.29Å; R42-E46 PolarHBondContact O-N 2.77Å |
| 43 | K | 96.6 | Very high | 93.9 | Very high | 146 Ų | 146 | 99.9 Ų | 99.9 | 64% | 0.635 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.5 | -35 | 179.2 | -172.3 | 176.9 | -178.8 | 177.1 | 0 | 112.1 | E39 K40 D41 Y47 | E39-K43 WeakPolarHBondContact O-CB 3.43Å; E39-K43 PolarHBondContact O-N 2.94Å; K40-K43 PolarHBondContact O-N 2.92Å; D41-K43 VanDerWaalsContact C-N 3.31Å; D41-K43 PolarHBondContact O-N 2.91Å; K43-Y47 WeakPolarHBondContact O-CB 3.28Å; K43-Y47 PolarHBondContact O-N 2.94Å |
| 44 | Q | 95.7 | Very high | 93.6 | Very high | 90 Ų | 90 | 99.2 Ų | 99.2 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.1 | -45.7 | 176 | -177.2 | 60.5 | 30.5 | 0 | 0 | 110.9 | K40 D41 R42 E46 Y47 E48 | K40-Q44 PolarHBondContact O-N 3.43Å; D41-Q44 WeakPolarHBondContact O-CB 2.99Å; D41-Q44 PolarHBondContact O-N 2.86Å; D41-Q44 VanDerWaalsContact O-N 3.07Å; R42-Q44 VanDerWaalsContact C-N 3.34Å; Q44-E46 PolarHBondContact O-N 3.42Å; Q44-Y47 WeakPolarHBondContact O-CB 3.49Å; Q44-Y47 PolarHBondContact O-N 2.87Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.45Å; Q44-E48 PolarHBondContact NE2-OE1 3.25Å; Q44-E48 WeakPolarHBondContact O-CG 3.25Å; Q44-E48 PolarHBondContact O-N 3.42Å |
| 45 | E | 94.4 | Very high | 93.2 | Very high | 127 Ų | 127 | 100.4 Ų | 100.4 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.3 | -42.6 | 175.1 | -70.9 | 170.8 | -167.2 | 0 | 0 | 111.9 | D41 R42 Y47 E48 A49 | D41-E45 WeakPolarHBondContact O-CG 3.41Å; D41-E45 PolarHBondContact O-N 3.09Å; R42-E45 PolarHBondContact O-N 2.86Å; E45-Y47 VanDerWaalsContact C-N 3.35Å; E45-Y47 PolarHBondContact O-N 3.3Å; E45-E48 PolarHBondContact O-N 3.46Å; E45-A49 VanDerWaalsContact O-CB 3.3Å; E45-A49 WeakPolarHBondContact O-CB 3.33Å; E45-A49 PolarHBondContact O-N 3.22Å |
| 46 | E | 94.3 | Very high | 92.9 | Very high | 91 Ų | 91 | 105.1 Ų | 105.1 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 174.1 | -75.3 | 172.3 | -175.5 | 0 | 0 | 112.3 | R42 Q44 T50 | R42-E46 IonicContact CZ-OE1 3.87Å; R42-E46 VanDerWaalsContact CZ-OE1 3.32Å; R42-E46 IonicContact NH1-OE1 3.92Å; R42-E46 PolarHBondContact NH1-OE1 3.42Å; R42-E46 IonicContact NH1-OE2 3.11Å; R42-E46 IonicContact NH2-OE1 3.78Å; R42-E46 IonicContact NH2-OE2 3.02Å; R42-E46 WeakPolarHBondContact O-CG 3.29Å; R42-E46 PolarHBondContact O-N 2.77Å; Q44-E46 PolarHBondContact O-N 3.42Å; E46-T50 WeakPolarHBondContact O-CB 3.31Å; E46-T50 VanDerWaalsContact O-CG2 3.28Å; E46-T50 WeakPolarHBondContact O-CG2 3.42Å; E46-T50 PolarHBondContact O-N 3.46Å; E46-T50 PolarHBondContact O-OG1 3.32Å |
| 47 | Y | 95.1 | Very high | 92.4 | Very high | 148 Ų | 148 | 106.1 Ų | 106.1 | 58% | 0.58 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 176 | 177.3 | -92.3 | 0 | 0 | 0 | 111.9 | K43 Q44 E45 T50 N51 | K43-Y47 WeakPolarHBondContact O-CB 3.28Å; K43-Y47 PolarHBondContact O-N 2.94Å; Q44-Y47 WeakPolarHBondContact O-CB 3.49Å; Q44-Y47 PolarHBondContact O-N 2.87Å; E45-Y47 VanDerWaalsContact C-N 3.35Å; E45-Y47 PolarHBondContact O-N 3.3Å; Y47-T50 PolarHBondContact O-OG1 3.4Å; Y47-T50 VanDerWaalsContact O-OG1 3.11Å; Y47-N51 VanDerWaalsContact CD2-ND2 3.31Å; Y47-N51 WeakPolarHBondContact CD2-ND2 3.45Å; Y47-N51 VanDerWaalsContact CE1-ND2 3.33Å; Y47-N51 WeakPolarHBondContact CE1-ND2 3.4Å; Y47-N51 WeakPolarHBondContact CE2-ND2 3.46Å; Y47-N51 VanDerWaalsContact O-CB 3.32Å; Y47-N51 WeakPolarHBondContact O-CB 3.17Å; Y47-N51 PolarHBondContact O-N 3.13Å; Y47-N51 VanDerWaalsContact O-N 3.09Å; Y47-N51 PolarHBondContact O-ND2 3.43Å |
| 48 | E | 94.9 | Very high | 91.9 | Very high | 108 Ų | 108 | 109.9 Ų | 109.9 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 176.9 | -73.7 | 173.7 | -165.2 | 0 | 0 | 111.2 | Q44 E45 T50 N51 A52 | Q44-E48 WeakPolarHBondContact CG-OE1 3.45Å; Q44-E48 PolarHBondContact NE2-OE1 3.25Å; Q44-E48 WeakPolarHBondContact O-CG 3.25Å; Q44-E48 PolarHBondContact O-N 3.42Å; E45-E48 PolarHBondContact O-N 3.46Å; E48-T50 PolarHBondContact O-N 3.12Å; E48-N51 CarbonylContact O-C 3.49Å; E48-N51 PolarHBondContact O-N 3.29Å; E48-A52 WeakPolarHBondContact O-CA 3.24Å; E48-A52 WeakPolarHBondContact O-CB 3.4Å; E48-A52 PolarHBondContact O-N 2.96Å |
| 49 | A | 91.4 | Very high | 91.7 | Very high | 70 Ų | 70 | 118.7 Ų | 118.7 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.2 | -44.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E45 N51 A52 | E45-A49 VanDerWaalsContact O-CB 3.3Å; E45-A49 WeakPolarHBondContact O-CB 3.33Å; E45-A49 PolarHBondContact O-N 3.22Å; A49-N51 VanDerWaalsContact C-N 3.35Å; A49-N51 PolarHBondContact O-N 2.91Å; A49-A52 PolarHBondContact O-N 3.3Å |
| 50 | T | 90.4 | Very high | 91.6 | Very high | 100 Ų | 100 | 116.7 Ų | 116.7 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.2 | -33.9 | 179 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | E46 Y47 E48 | E46-T50 WeakPolarHBondContact O-CB 3.31Å; E46-T50 VanDerWaalsContact O-CG2 3.28Å; E46-T50 WeakPolarHBondContact O-CG2 3.42Å; E46-T50 PolarHBondContact O-N 3.46Å; E46-T50 PolarHBondContact O-OG1 3.32Å; Y47-T50 PolarHBondContact O-OG1 3.4Å; Y47-T50 VanDerWaalsContact O-OG1 3.11Å; E48-T50 PolarHBondContact O-N 3.12Å |
| 51 | N | 91.2 | Very high | 91.4 | Very high | 33 Ų | 33 | 114.7 Ų | 114.7 | 18% | 0.176 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -89.7 | -16 | 178.4 | -68.1 | -46.5 | 0 | 0 | 0 | 114 | Y47 E48 A49 L53 K54 N55 | Y47-N51 VanDerWaalsContact CD2-ND2 3.31Å; Y47-N51 WeakPolarHBondContact CD2-ND2 3.45Å; Y47-N51 VanDerWaalsContact CE1-ND2 3.33Å; Y47-N51 WeakPolarHBondContact CE1-ND2 3.4Å; Y47-N51 WeakPolarHBondContact CE2-ND2 3.46Å; Y47-N51 VanDerWaalsContact O-CB 3.32Å; Y47-N51 WeakPolarHBondContact O-CB 3.17Å; Y47-N51 PolarHBondContact O-N 3.13Å; Y47-N51 VanDerWaalsContact O-N 3.09Å; Y47-N51 PolarHBondContact O-ND2 3.43Å; E48-N51 CarbonylContact O-C 3.49Å; E48-N51 PolarHBondContact O-N 3.29Å; A49-N51 VanDerWaalsContact C-N 3.35Å; A49-N51 PolarHBondContact O-N 2.91Å; N51-L53 VanDerWaalsContact C-N 3.33Å; N51-L53 PolarHBondContact O-N 3.44Å; N51-K54 WeakPolarHBondContact O-CB 3.42Å; N51-K54 PolarHBondContact O-N 2.8Å; N51-K54 VanDerWaalsContact O-N 3.13Å; N51-N55 WeakPolarHBondContact O-CB 3.38Å; N51-N55 VanDerWaalsContact O-CG 3.24Å; N51-N55 PolarHBondContact O-N 2.76Å |
| 52 | A | 92 | Very high | 91.3 | Very high | 57 Ų | 57 | 119 Ų | 119 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.7 | -45.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E48 A49 N55 R56 | E48-A52 WeakPolarHBondContact O-CA 3.24Å; E48-A52 WeakPolarHBondContact O-CB 3.4Å; E48-A52 PolarHBondContact O-N 2.96Å; A49-A52 PolarHBondContact O-N 3.3Å; A52-N55 PolarHBondContact O-N 3.35Å; A52-R56 WeakPolarHBondContact O-CB 3.41Å; A52-R56 PolarHBondContact O-N 3.29Å |
| 53 | L | 86 | Confident | 91.3 | Very high | 111 Ų | 111 | 118.7 Ų | 118.7 | 58% | 0.581 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.5 | -39.3 | 177.6 | -171.8 | 62.6 | 0 | 0 | 0 | 111.9 | N51 N55 R56 I57 | N51-L53 VanDerWaalsContact C-N 3.33Å; N51-L53 PolarHBondContact O-N 3.44Å; L53-N55 VanDerWaalsContact C-N 3.29Å; L53-N55 PolarHBondContact O-N 3Å; L53-R56 PolarHBondContact O-N 2.89Å; L53-I57 HydrophobicContact CD1-CD1 3.57Å; L53-I57 HydrophobicContact CD1-CG1 3.98Å; L53-I57 HydrophobicContact CD2-CD1 4.33Å; L53-I57 HydrophobicContact CG-CD1 3.76Å; L53-I57 HydrophobicContact CG-CG1 4.34Å; L53-I57 WeakPolarHBondContact O-CG1 3.26Å; L53-I57 PolarHBondContact O-N 3.46Å |
| 54 | K | 88.8 | Confident | 91.2 | Very high | 151 Ų | 151 | 114.9 Ų | 114.9 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.9 | -37.6 | 176.8 | -176.1 | -177.9 | 175.1 | -174.6 | 0 | 111.8 | N51 | N51-K54 WeakPolarHBondContact O-CB 3.42Å; N51-K54 PolarHBondContact O-N 2.8Å; N51-K54 VanDerWaalsContact O-N 3.13Å |
| 55 | N | 85.7 | Confident | 91.2 | Very high | 127 Ų | 127 | 113.5 Ų | 113.5 | 68% | 0.679 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.6 | -31.7 | 177.2 | -66.6 | -11.4 | 0 | 0 | 0 | 112.1 | N51 A52 L53 | N51-N55 WeakPolarHBondContact O-CB 3.38Å; N51-N55 VanDerWaalsContact O-CG 3.24Å; N51-N55 PolarHBondContact O-N 2.76Å; A52-N55 PolarHBondContact O-N 3.35Å; L53-N55 VanDerWaalsContact C-N 3.29Å; L53-N55 PolarHBondContact O-N 3Å |
| 56 | R | 87.7 | Confident | 91.3 | Very high | 218 Ų | 218 | 113.2 Ų | 113.2 | 82% | 0.823 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -75.6 | -32.8 | 177.3 | -173.6 | 173.4 | 179.8 | 165.1 | 1.1 | 113.1 | A52 L53 H58 | A52-R56 WeakPolarHBondContact O-CB 3.41Å; A52-R56 PolarHBondContact O-N 3.29Å; L53-R56 PolarHBondContact O-N 2.89Å; R56-H58 PolarHBondContact O-N 3.34Å |
| 57 | I | 83.5 | Confident | 91.4 | Very high | 116 Ų | 116 | 115.6 Ų | 115.6 | 60% | 0.595 | 56% | 0.56 | S | S | * | * | trans | -98.9 | 81.7 | -179.9 | -55.4 | 178.1 | 0 | 0 | 0 | 108.8 | L53 | L53-I57 HydrophobicContact CD1-CD1 3.57Å; L53-I57 HydrophobicContact CD1-CG1 3.98Å; L53-I57 HydrophobicContact CD2-CD1 4.33Å; L53-I57 HydrophobicContact CG-CD1 3.76Å; L53-I57 HydrophobicContact CG-CG1 4.34Å; L53-I57 WeakPolarHBondContact O-CG1 3.26Å; L53-I57 PolarHBondContact O-N 3.46Å | ||
| 58 | H | 86.8 | Confident | 91.5 | Very high | 135 Ų | 135 | 112.3 Ų | 112.3 | 63% | 0.625 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 139.4 | 167 | -169.5 | 58.7 | 0 | 0 | 0 | 109.9 | R56 E64 | R56-H58 PolarHBondContact O-N 3.34Å; H58-E64 IonicContact CD2-OE2 3.28Å; H58-E64 IonicContact NE2-OE2 2.71Å |
| 59 | R | 89.1 | Confident | 91.6 | Very high | 224 Ų | 224 | 113.4 Ų | 113.4 | 85% | 0.845 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -88 | 116.3 | 171 | -67.7 | -176.6 | 67.9 | -160.6 | -2.1 | 107.3 | D61 | R59-D61 PolarHBondContact O-N 2.94Š|
| 60 | L | 91.6 | Very high | 91.8 | Very high | 74 Ų | 74 | 113.4 Ų | 113.4 | 39% | 0.387 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 129.3 | 171.4 | -134.3 | 74.2 | 0 | 0 | 0 | 109.3 | E64 V65 L68 | L60-E64 HydrophobicContact CD1-CB 4.31Å; L60-E64 HydrophobicContact CD1-CG 3.53Å; L60-E64 VanDerWaalsContact CD1-OE1 3.29Å; L60-E64 WeakPolarHBondContact CD1-OE1 3.44Å; L60-E64 WeakPolarHBondContact CD1-OE2 3.45Å; L60-E64 HydrophobicContact CD2-CG 4.25Å; L60-E64 HydrophobicContact CG-CB 3.87Å; L60-E64 HydrophobicContact CG-CG 3.61Å; L60-V65 HydrophobicContact CB-CG2 3.99Å; L60-V65 HydrophobicContact CD2-CB 4.15Å; L60-V65 HydrophobicContact CD2-CG2 3.58Å; L60-V65 HydrophobicContact CG-CG2 4.07Å; L60-L68 HydrophobicContact CD1-CD1 4.15Å; L60-L68 HydrophobicContact CD2-CD1 3.51Å; L60-L68 HydrophobicContact CD2-CG 4.28Å; L60-L68 HydrophobicContact CG-CD1 4.48Å |
| 61 | D | 92.4 | Very high | 92.2 | Very high | 90 Ų | 90 | 111.6 Ų | 111.6 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 168.3 | 169.1 | 63.8 | 21.1 | 0 | 0 | 0 | 111 | R59 D63 E64 V65 | R59-D61 PolarHBondContact O-N 2.94Å; D61-D63 VanDerWaalsContact C-N 3.25Å; D61-D63 PolarHBondContact O-N 3.42Å; D61-E64 PolarHBondContact O-N 2.86Å; D61-E64 WeakPolarHBondContact OD1-CA 3.03Å; D61-E64 WeakPolarHBondContact OD1-CB 3.22Å; D61-E64 PolarHBondContact OD1-N 3.41Å; D61-V65 VanDerWaalsContact O-CG2 3.24Å; D61-V65 WeakPolarHBondContact O-CG2 3.39Å; D61-V65 PolarHBondContact O-N 2.88Å |
| 62 | E | 94.3 | Very high | 92.5 | Very high | 155 Ų | 155 | 112.8 Ų | 112.8 | 72% | 0.724 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.5 | -37.7 | -176.5 | -170.2 | 70.1 | -151.1 | 0 | 0 | 111.6 | V65 E66 | E62-V65 PolarHBondContact O-N 2.83Å; E62-E66 PolarHBondContact O-N 2.85Å |
| 63 | D | 95.5 | Very high | 92.7 | Very high | 122 Ų | 122 | 113.3 Ų | 113.3 | 65% | 0.652 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.3 | -39.8 | -179.8 | -64.2 | -8 | 0 | 0 | 0 | 111.2 | D61 E66 Y67 | D61-D63 VanDerWaalsContact C-N 3.25Å; D61-D63 PolarHBondContact O-N 3.42Å; D63-E66 PolarHBondContact O-N 2.88Å; D63-Y67 WeakPolarHBondContact O-CB 3.33Å; D63-Y67 PolarHBondContact O-N 3.39Å |
| 64 | E | 94.9 | Very high | 93.2 | Very high | 65 Ų | 65 | 115.2 Ų | 115.2 | 30% | 0.304 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.5 | -37 | 176.6 | -173.3 | -178.2 | -168.4 | 0 | 0 | 111.6 | H58 L60 D61 Y67 L68 | H58-E64 IonicContact CD2-OE2 3.28Å; H58-E64 IonicContact NE2-OE2 2.71Å; L60-E64 HydrophobicContact CD1-CB 4.31Å; L60-E64 HydrophobicContact CD1-CG 3.53Å; L60-E64 VanDerWaalsContact CD1-OE1 3.29Å; L60-E64 WeakPolarHBondContact CD1-OE1 3.44Å; L60-E64 WeakPolarHBondContact CD1-OE2 3.45Å; L60-E64 HydrophobicContact CD2-CG 4.25Å; L60-E64 HydrophobicContact CG-CB 3.87Å; L60-E64 HydrophobicContact CG-CG 3.61Å; D61-E64 PolarHBondContact O-N 2.86Å; D61-E64 WeakPolarHBondContact OD1-CA 3.03Å; D61-E64 WeakPolarHBondContact OD1-CB 3.22Å; D61-E64 PolarHBondContact OD1-N 3.41Å; E64-Y67 PolarHBondContact O-N 3.03Å; E64-L68 WeakPolarHBondContact O-CG 3.45Å; E64-L68 PolarHBondContact O-N 3.34Å |
| 65 | V | 95 | Very high | 93.6 | Very high | 61 Ų | 61 | 112.9 Ų | 112.9 | 37% | 0.37 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 169.9 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | L60 D61 E62 Y67 L68 Q69 | L60-V65 HydrophobicContact CB-CG2 3.99Å; L60-V65 HydrophobicContact CD2-CB 4.15Å; L60-V65 HydrophobicContact CD2-CG2 3.58Å; L60-V65 HydrophobicContact CG-CG2 4.07Å; D61-V65 VanDerWaalsContact O-CG2 3.24Å; D61-V65 WeakPolarHBondContact O-CG2 3.39Å; D61-V65 PolarHBondContact O-N 2.88Å; E62-V65 PolarHBondContact O-N 2.83Å; V65-Y67 VanDerWaalsContact C-N 3.34Å; V65-Y67 PolarHBondContact O-N 2.9Å; V65-L68 PolarHBondContact O-N 2.94Å; V65-Q69 PolarHBondContact O-N 3.46Å |
| 66 | E | 96.2 | Very high | 94.2 | Very high | 121 Ų | 121 | 114 Ų | 114 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.7 | -45.6 | 178.2 | -174.1 | 179.3 | -174.2 | 0 | 0 | 110.6 | E62 D63 L68 Q69 T70 | E62-E66 PolarHBondContact O-N 2.85Å; D63-E66 PolarHBondContact O-N 2.88Å; E66-L68 PolarHBondContact O-N 2.82Å; E66-Q69 PolarHBondContact O-N 2.82Å; E66-T70 WeakPolarHBondContact O-CG2 2.99Å; E66-T70 PolarHBondContact O-N 3.24Å |
| 67 | Y | 97.4 | Very high | 94.7 | Very high | 141 Ų | 141 | 110.8 Ų | 110.8 | 55% | 0.553 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -56.8 | -49.2 | 175.7 | 174.1 | -103.2 | 0 | 0 | 0 | 112.1 | D63 E64 V65 Q69 T70 L71 | D63-Y67 WeakPolarHBondContact O-CB 3.33Å; D63-Y67 PolarHBondContact O-N 3.39Å; E64-Y67 PolarHBondContact O-N 3.03Å; V65-Y67 VanDerWaalsContact C-N 3.34Å; V65-Y67 PolarHBondContact O-N 2.9Å; Y67-Q69 VanDerWaalsContact C-N 3.31Å; Y67-Q69 PolarHBondContact O-N 3.38Å; Y67-T70 PolarHBondContact O-N 3.32Å; Y67-T70 PolarHBondContact O-OG1 3.43Å; Y67-L71 HydrophobicContact CE1-CD2 4.24Å; Y67-L71 WeakPolarHBondContact O-CB 3.29Å; Y67-L71 PolarHBondContact O-N 2.85Å |
| 68 | L | 96.4 | Very high | 95.3 | Very high | 79 Ų | 79 | 106.8 Ų | 106.8 | 41% | 0.414 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 177.9 | -69.5 | -171.5 | 0 | 0 | 0 | 112.2 | L60 E64 V65 E66 L71 A72 | L60-L68 HydrophobicContact CD1-CD1 4.15Å; L60-L68 HydrophobicContact CD2-CD1 3.51Å; L60-L68 HydrophobicContact CD2-CG 4.28Å; L60-L68 HydrophobicContact CG-CD1 4.48Å; E64-L68 WeakPolarHBondContact O-CG 3.45Å; E64-L68 PolarHBondContact O-N 3.34Å; V65-L68 PolarHBondContact O-N 2.94Å; E66-L68 PolarHBondContact O-N 2.82Å; L68-L71 PolarHBondContact O-N 3.12Å; L68-A72 VanDerWaalsContact O-CB 3.26Å; L68-A72 WeakPolarHBondContact O-CB 3.15Å; L68-A72 PolarHBondContact O-N 2.94Å |
| 69 | Q | 97 | Very high | 95.7 | Very high | 131 Ų | 131 | 104 Ų | 104 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -45.8 | 174.7 | -176.1 | 177 | -13.9 | 0 | 0 | 111.5 | V65 E66 Y67 L71 A72 T73 | V65-Q69 PolarHBondContact O-N 3.46Å; E66-Q69 PolarHBondContact O-N 2.82Å; Y67-Q69 VanDerWaalsContact C-N 3.31Å; Y67-Q69 PolarHBondContact O-N 3.38Å; Q69-L71 VanDerWaalsContact C-N 3.33Å; Q69-L71 PolarHBondContact O-N 3.48Å; Q69-A72 PolarHBondContact O-N 2.64Å; Q69-T73 VanDerWaalsContact O-CG2 3.3Å; Q69-T73 WeakPolarHBondContact O-CG2 3.33Å; Q69-T73 PolarHBondContact O-N 3.02Å; Q69-T73 PolarHBondContact O-OG1 3.45Å |
| 70 | T | 96.9 | Very high | 96.1 | Very high | 70 Ų | 70 | 96.1 Ų | 96.1 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 176.1 | 66.1 | 0 | 0 | 0 | 0 | 111.8 | E66 Y67 T73 K74 | E66-T70 WeakPolarHBondContact O-CG2 2.99Å; E66-T70 PolarHBondContact O-N 3.24Å; Y67-T70 PolarHBondContact O-N 3.32Å; Y67-T70 PolarHBondContact O-OG1 3.43Å; T70-T73 PolarHBondContact O-N 3.44Å; T70-T73 PolarHBondContact O-OG1 2.96Å; T70-K74 WeakPolarHBondContact O-CB 3.3Å; T70-K74 PolarHBondContact O-N 2.95Å |
| 71 | L | 97.4 | Very high | 96.3 | Very high | 62 Ų | 62 | 99.3 Ų | 99.3 | 33% | 0.325 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 176.9 | -175.2 | 61.6 | 0 | 0 | 0 | 111.5 | Y67 L68 Q69 T73 K74 Q75 | Y67-L71 HydrophobicContact CE1-CD2 4.24Å; Y67-L71 WeakPolarHBondContact O-CB 3.29Å; Y67-L71 PolarHBondContact O-N 2.85Å; L68-L71 PolarHBondContact O-N 3.12Å; Q69-L71 VanDerWaalsContact C-N 3.33Å; Q69-L71 PolarHBondContact O-N 3.48Å; L71-T73 PolarHBondContact O-N 2.92Å; L71-K74 PolarHBondContact O-N 3.3Å; L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 2.92Å |
| 72 | A | 97.2 | Very high | 96.5 | Very high | 58 Ų | 58 | 100.3 Ų | 100.3 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L68 Q69 K74 Q75 Y76 | L68-A72 VanDerWaalsContact O-CB 3.26Å; L68-A72 WeakPolarHBondContact O-CB 3.15Å; L68-A72 PolarHBondContact O-N 2.94Å; Q69-A72 PolarHBondContact O-N 2.64Å; A72-K74 VanDerWaalsContact C-N 3.32Å; A72-K74 PolarHBondContact O-N 3.49Å; A72-Q75 PolarHBondContact O-N 3.45Å; A72-Y76 WeakPolarHBondContact O-CB 3.49Å; A72-Y76 PolarHBondContact O-N 2.95Å |
| 73 | T | 97 | Very high | 96.6 | Very high | 68 Ų | 68 | 98.7 Ų | 98.7 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.1 | -35.2 | 176.1 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | Q69 T70 L71 K77 | Q69-T73 VanDerWaalsContact O-CG2 3.3Å; Q69-T73 WeakPolarHBondContact O-CG2 3.33Å; Q69-T73 PolarHBondContact O-N 3.02Å; Q69-T73 PolarHBondContact O-OG1 3.45Å; T70-T73 PolarHBondContact O-N 3.44Å; T70-T73 PolarHBondContact O-OG1 2.96Å; L71-T73 PolarHBondContact O-N 2.92Å; T73-K77 WeakPolarHBondContact O-CB 3.37Å; T73-K77 VanDerWaalsContact O-CG 3.28Å; T73-K77 WeakPolarHBondContact O-CG 3.41Å; T73-K77 PolarHBondContact O-N 3.04Å; T73-K77 VanDerWaalsContact O-N 3.07Å |
| 74 | K | 97.4 | Very high | 96.6 | Very high | 151 Ų | 151 | 99.4 Ų | 99.4 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.1 | -46 | 175.3 | -175.2 | -178.5 | 178.7 | -176.2 | 0 | 111.9 | T70 L71 A72 K77 A78 | T70-K74 WeakPolarHBondContact O-CB 3.3Å; T70-K74 PolarHBondContact O-N 2.95Å; L71-K74 PolarHBondContact O-N 3.3Å; A72-K74 VanDerWaalsContact C-N 3.32Å; A72-K74 PolarHBondContact O-N 3.49Å; K74-K77 PolarHBondContact O-N 2.8Å; K74-A78 WeakPolarHBondContact O-CB 3.43Å; K74-A78 PolarHBondContact O-N 3.09Å |
| 75 | Q | 97.3 | Very high | 96.6 | Very high | 103 Ų | 103 | 102 Ų | 102 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 176.6 | -73.5 | -71.5 | 16.3 | 0 | 0 | 110.8 | L71 A72 K77 A78 D79 | L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 2.92Å; A72-Q75 PolarHBondContact O-N 3.45Å; Q75-K77 VanDerWaalsContact C-N 3.31Å; Q75-K77 PolarHBondContact O-N 3.27Å; Q75-A78 PolarHBondContact O-N 2.85Å; Q75-A78 VanDerWaalsContact O-N 3.09Å; Q75-D79 PolarHBondContact O-N 2.92Å |
| 76 | Y | 97.2 | Very high | 96.6 | Very high | 151 Ų | 151 | 103.3 Ų | 103.3 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56 | -44.2 | 176.2 | 178.6 | -102.4 | 0 | 0 | 0 | 112.5 | A72 D79 M80 | A72-Y76 WeakPolarHBondContact O-CB 3.49Å; A72-Y76 PolarHBondContact O-N 2.95Å; Y76-D79 PolarHBondContact O-N 3.47Å; Y76-M80 HydrophobicContact CD1-CG 4.33Å; Y76-M80 HydrophobicContact CE1-CG 3.93Å; Y76-M80 HydrophobicContact CE2-CE 4.45Å; Y76-M80 HydrophobicContact CE2-CG 4.12Å; Y76-M80 HydrophobicContact CE2-SD 4.36Å; Y76-M80 WeakPolarHBondContact O-CB 3.47Å; Y76-M80 WeakPolarHBondContact O-CG 3.29Å; Y76-M80 PolarHBondContact O-N 3.4Å |
| 77 | K | 97.4 | Very high | 96.6 | Very high | 149 Ų | 149 | 100.3 Ų | 100.3 | 65% | 0.648 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 175.8 | -77.2 | 175.6 | -179.1 | 178 | 0 | 112.6 | T73 K74 Q75 M80 E81 | T73-K77 WeakPolarHBondContact O-CB 3.37Å; T73-K77 VanDerWaalsContact O-CG 3.28Å; T73-K77 WeakPolarHBondContact O-CG 3.41Å; T73-K77 PolarHBondContact O-N 3.04Å; T73-K77 VanDerWaalsContact O-N 3.07Å; K74-K77 PolarHBondContact O-N 2.8Å; Q75-K77 VanDerWaalsContact C-N 3.31Å; Q75-K77 PolarHBondContact O-N 3.27Å; K77-M80 PolarHBondContact O-N 3.45Å; K77-E81 PolarHBondContact O-N 2.88Å |
| 78 | A | 96.6 | Very high | 96.4 | Very high | 33 Ų | 33 | 99.3 Ų | 99.3 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K74 Q75 E81 K82 | K74-A78 WeakPolarHBondContact O-CB 3.43Å; K74-A78 PolarHBondContact O-N 3.09Å; Q75-A78 PolarHBondContact O-N 2.85Å; Q75-A78 VanDerWaalsContact O-N 3.09Å; A78-E81 PolarHBondContact O-N 3.43Å; A78-K82 WeakPolarHBondContact O-CG 3.46Å; A78-K82 PolarHBondContact O-N 3.39Å |
| 79 | D | 96.7 | Very high | 96.3 | Very high | 76 Ų | 76 | 100.3 Ų | 100.3 | 41% | 0.406 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.7 | -36.5 | 178.3 | -67.5 | -20.2 | 0 | 0 | 0 | 111.8 | Q75 Y76 E81 K82 E83 | Q75-D79 PolarHBondContact O-N 2.92Å; Y76-D79 PolarHBondContact O-N 3.47Å; D79-E81 VanDerWaalsContact C-N 3.34Å; D79-E81 PolarHBondContact O-N 3.17Å; D79-K82 PolarHBondContact O-N 3.33Å; D79-K82 IonicContact OD1-NZ 2.83Å; D79-K82 PolarHBondContact OD1-NZ 2.86Å; D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 3.47Å |
| 80 | M | 96.4 | Very high | 96.1 | Very high | 59 Ų | 59 | 98.1 Ų | 98.1 | 29% | 0.291 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 170.5 | -72 | -71.1 | 96 | 0 | 0 | 113.4 | Y76 K77 E83 K84 | Y76-M80 HydrophobicContact CD1-CG 4.33Å; Y76-M80 HydrophobicContact CE1-CG 3.93Å; Y76-M80 HydrophobicContact CE2-CE 4.45Å; Y76-M80 HydrophobicContact CE2-CG 4.12Å; Y76-M80 HydrophobicContact CE2-SD 4.36Å; Y76-M80 WeakPolarHBondContact O-CB 3.47Å; Y76-M80 WeakPolarHBondContact O-CG 3.29Å; Y76-M80 PolarHBondContact O-N 3.4Å; K77-M80 PolarHBondContact O-N 3.45Å; M80-E83 WeakPolarHBondContact CE-OE2 3.31Å; M80-K84 WeakPolarHBondContact O-CB 3.48Å; M80-K84 VanDerWaalsContact O-CG 3.24Å; M80-K84 WeakPolarHBondContact O-CG 3.48Å; M80-K84 PolarHBondContact O-N 3.01Å; M80-K84 VanDerWaalsContact O-N 3.08Å |
| 81 | E | 95.7 | Very high | 95.9 | Very high | 141 Ų | 141 | 101.7 Ų | 101.7 | 66% | 0.659 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70 | -44.3 | 175.5 | -173.5 | 169.7 | -159.6 | 0 | 0 | 111.3 | K77 A78 D79 E83 K84 E85 | K77-E81 PolarHBondContact O-N 2.88Å; A78-E81 PolarHBondContact O-N 3.43Å; D79-E81 VanDerWaalsContact C-N 3.34Å; D79-E81 PolarHBondContact O-N 3.17Å; E81-E83 VanDerWaalsContact C-N 3.35Å; E81-E83 PolarHBondContact O-N 3.27Å; E81-K84 PolarHBondContact O-N 2.91Å; E81-E85 PolarHBondContact O-N 2.88Å |
| 82 | K | 96 | Very high | 95.7 | Very high | 111 Ų | 111 | 103.8 Ų | 103.8 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 173.1 | -68.6 | 172.7 | -158.4 | 152.8 | 0 | 111.7 | A78 D79 K84 E85 V86 | A78-K82 WeakPolarHBondContact O-CG 3.46Å; A78-K82 PolarHBondContact O-N 3.39Å; D79-K82 PolarHBondContact O-N 3.33Å; D79-K82 IonicContact OD1-NZ 2.83Å; D79-K82 PolarHBondContact OD1-NZ 2.86Å; K82-K84 VanDerWaalsContact C-N 3.33Å; K82-K84 PolarHBondContact O-N 3.41Å; K82-E85 PolarHBondContact O-N 2.97Å; K82-V86 WeakPolarHBondContact O-CB 3.32Å; K82-V86 VanDerWaalsContact O-CG2 3.29Å; K82-V86 WeakPolarHBondContact O-CG2 3.43Å; K82-V86 PolarHBondContact O-N 3.41Å |
| 83 | E | 96.3 | Very high | 95.4 | Very high | 121 Ų | 121 | 103.7 Ų | 103.7 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.3 | -39.8 | 178.5 | -172.9 | 177.4 | -176.3 | 0 | 0 | 111.5 | D79 M80 E81 V86 A87 | D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 3.47Å; M80-E83 WeakPolarHBondContact CE-OE2 3.31Å; E81-E83 VanDerWaalsContact C-N 3.35Å; E81-E83 PolarHBondContact O-N 3.27Å; E83-V86 PolarHBondContact O-N 3.15Å; E83-A87 VanDerWaalsContact O-CB 3.29Å; E83-A87 WeakPolarHBondContact O-CB 3.47Å; E83-A87 PolarHBondContact O-N 2.94Å |
| 84 | K | 96.3 | Very high | 95 | Very high | 136 Ų | 136 | 103.9 Ų | 103.9 | 59% | 0.591 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -45.4 | 173.9 | -75.6 | 172.1 | -176.7 | 178.1 | 0 | 112.3 | M80 E81 K82 V86 A87 E88 | M80-K84 WeakPolarHBondContact O-CB 3.48Å; M80-K84 VanDerWaalsContact O-CG 3.24Å; M80-K84 WeakPolarHBondContact O-CG 3.48Å; M80-K84 PolarHBondContact O-N 3.01Å; M80-K84 VanDerWaalsContact O-N 3.08Å; E81-K84 PolarHBondContact O-N 2.91Å; K82-K84 VanDerWaalsContact C-N 3.33Å; K82-K84 PolarHBondContact O-N 3.41Å; K84-V86 VanDerWaalsContact C-N 3.34Å; K84-V86 PolarHBondContact O-N 3.33Å; K84-A87 PolarHBondContact O-N 3.22Å; K84-E88 WeakPolarHBondContact O-CB 3.04Å; K84-E88 WeakPolarHBondContact O-CG 3.31Å; K84-E88 PolarHBondContact O-N 3.03Å |
| 85 | E | 94.5 | Very high | 94.6 | Very high | 121 Ų | 121 | 99.4 Ų | 99.4 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.3 | -46.3 | 176.7 | -174 | -174.7 | 177.4 | 0 | 0 | 111 | E81 K82 A87 E88 L89 | E81-E85 PolarHBondContact O-N 2.88Å; K82-E85 PolarHBondContact O-N 2.97Å; E85-A87 PolarHBondContact O-N 3.25Å; E85-E88 PolarHBondContact O-N 3.22Å; E85-L89 HydrophobicContact CG-CD1 4.08Å; E85-L89 WeakPolarHBondContact O-CB 3.32Å; E85-L89 WeakPolarHBondContact O-CG 3.19Å; E85-L89 PolarHBondContact O-N 2.88Å |
| 86 | V | 95.2 | Very high | 94.1 | Very high | 88 Ų | 88 | 100.2 Ų | 100.2 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | K82 E83 K84 E88 L89 V90 | K82-V86 WeakPolarHBondContact O-CB 3.32Å; K82-V86 VanDerWaalsContact O-CG2 3.29Å; K82-V86 WeakPolarHBondContact O-CG2 3.43Å; K82-V86 PolarHBondContact O-N 3.41Å; E83-V86 PolarHBondContact O-N 3.15Å; K84-V86 VanDerWaalsContact C-N 3.34Å; K84-V86 PolarHBondContact O-N 3.33Å; V86-E88 VanDerWaalsContact C-N 3.32Å; V86-E88 PolarHBondContact O-N 3.33Å; V86-L89 PolarHBondContact O-N 3.5Å; V86-V90 HydrophobicContact CG1-CG2 4.39Å; V86-V90 WeakPolarHBondContact O-CB 3.43Å; V86-V90 VanDerWaalsContact O-CG2 3.28Å; V86-V90 WeakPolarHBondContact O-CG2 3.4Å; V86-V90 PolarHBondContact O-N 3.47Å |
| 87 | A | 95.6 | Very high | 93.5 | Very high | 58 Ų | 58 | 95.6 Ų | 95.6 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E83 K84 E85 R91 | E83-A87 VanDerWaalsContact O-CB 3.29Å; E83-A87 WeakPolarHBondContact O-CB 3.47Å; E83-A87 PolarHBondContact O-N 2.94Å; K84-A87 PolarHBondContact O-N 3.22Å; E85-A87 PolarHBondContact O-N 3.25Å; A87-R91 VanDerWaalsContact O-CB 3.3Å; A87-R91 WeakPolarHBondContact O-CB 3.25Å; A87-R91 PolarHBondContact O-N 3.24Å |
| 88 | E | 94.3 | Very high | 92.7 | Very high | 120 Ų | 120 | 95 Ų | 95 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.5 | -42.7 | 175.7 | -74.9 | -177.6 | -170.2 | 0 | 0 | 112.4 | K84 E85 V86 R91 E92 | K84-E88 WeakPolarHBondContact O-CB 3.04Å; K84-E88 WeakPolarHBondContact O-CG 3.31Å; K84-E88 PolarHBondContact O-N 3.03Å; E85-E88 PolarHBondContact O-N 3.22Å; V86-E88 VanDerWaalsContact C-N 3.32Å; V86-E88 PolarHBondContact O-N 3.33Å; E88-R91 WeakPolarHBondContact O-CB 3.33Å; E88-R91 PolarHBondContact O-N 3.13Å; E88-E92 PolarHBondContact O-N 3.36Å |
| 89 | L | 93.7 | Very high | 91.7 | Very high | 100 Ų | 100 | 103.5 Ų | 103.5 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 173.7 | -80.7 | 160.1 | 0 | 0 | 0 | 111.7 | E85 V86 R91 E92 A93 | E85-L89 HydrophobicContact CG-CD1 4.08Å; E85-L89 WeakPolarHBondContact O-CB 3.32Å; E85-L89 WeakPolarHBondContact O-CG 3.19Å; E85-L89 PolarHBondContact O-N 2.88Å; V86-L89 PolarHBondContact O-N 3.5Å; L89-R91 VanDerWaalsContact C-N 3.34Å; L89-E92 PolarHBondContact O-N 3.29Å; L89-A93 WeakPolarHBondContact O-CB 3.42Å; L89-A93 PolarHBondContact O-N 3.33Å |
| 90 | V | 94 | Very high | 90.1 | Very high | 85 Ų | 85 | 103.7 Ų | 103.7 | 52% | 0.515 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | V86 A93 T94 | V86-V90 HydrophobicContact CG1-CG2 4.39Å; V86-V90 WeakPolarHBondContact O-CB 3.43Å; V86-V90 VanDerWaalsContact O-CG2 3.28Å; V86-V90 WeakPolarHBondContact O-CG2 3.4Å; V86-V90 PolarHBondContact O-N 3.47Å; V90-A93 PolarHBondContact O-N 2.74Å; V90-T94 HydrophobicContact CG1-CG2 4.42Å; V90-T94 WeakPolarHBondContact O-CB 3.28Å; V90-T94 VanDerWaalsContact O-CG2 3.25Å; V90-T94 WeakPolarHBondContact O-CG2 3.43Å; V90-T94 PolarHBondContact O-N 3.49Å; V90-T94 PolarHBondContact O-OG1 2.97Å |
| 91 | R | 92.8 | Very high | 88.1 | Confident | 144 Ų | 144 | 104 Ų | 104 | 54% | 0.543 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 175.9 | -172.3 | -172.8 | 64.7 | 78.1 | 5.7 | 111.9 | A87 E88 L89 T94 V95 | A87-R91 VanDerWaalsContact O-CB 3.3Å; A87-R91 WeakPolarHBondContact O-CB 3.25Å; A87-R91 PolarHBondContact O-N 3.24Å; E88-R91 WeakPolarHBondContact O-CB 3.33Å; E88-R91 PolarHBondContact O-N 3.13Å; L89-R91 VanDerWaalsContact C-N 3.34Å; R91-T94 WeakPolarHBondContact CA-OG1 3.3Å; R91-T94 PolarHBondContact O-OG1 2.87Å; R91-V95 VanDerWaalsContact O-CG2 3.27Å; R91-V95 WeakPolarHBondContact O-CG2 3.44Å; R91-V95 PolarHBondContact O-N 3.44Å; R91-V95 VanDerWaalsContact O-N 3.1Å |
| 92 | E | 91.3 | Very high | 86.2 | Confident | 106 Ų | 106 | 103.9 Ų | 103.9 | 50% | 0.495 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67 | -45.2 | 175.4 | -97.9 | -167.3 | 161.6 | 0 | 0 | 112.1 | E88 L89 T94 V95 Q96 | E88-E92 PolarHBondContact O-N 3.36Å; L89-E92 PolarHBondContact O-N 3.29Å; E92-T94 VanDerWaalsContact C-N 3.33Å; E92-T94 PolarHBondContact O-N 2.95Å; E92-V95 PolarHBondContact O-N 3.04Å; E92-Q96 WeakPolarHBondContact O-CB 3.44Å; E92-Q96 VanDerWaalsContact O-CG 3.31Å; E92-Q96 WeakPolarHBondContact O-CG 3.43Å; E92-Q96 PolarHBondContact O-N 2.72Å |
| 93 | A | 91.7 | Very high | 84.3 | Confident | 57 Ų | 57 | 104.8 Ų | 104.8 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.9 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L89 V90 Q96 A97 | L89-A93 WeakPolarHBondContact O-CB 3.42Å; L89-A93 PolarHBondContact O-N 3.33Å; V90-A93 PolarHBondContact O-N 2.74Å; A93-Q96 PolarHBondContact O-N 3.02Å; A93-A97 VanDerWaalsContact O-CB 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.22Å; A93-A97 PolarHBondContact O-N 3.5Å |
| 94 | T | 89.2 | Confident | 82.3 | Confident | 71 Ų | 71 | 103.2 Ų | 103.2 | 44% | 0.436 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.6 | -41.8 | 176 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | V90 R91 E92 N98 | V90-T94 HydrophobicContact CG1-CG2 4.42Å; V90-T94 WeakPolarHBondContact O-CB 3.28Å; V90-T94 VanDerWaalsContact O-CG2 3.25Å; V90-T94 WeakPolarHBondContact O-CG2 3.43Å; V90-T94 PolarHBondContact O-N 3.49Å; V90-T94 PolarHBondContact O-OG1 2.97Å; R91-T94 WeakPolarHBondContact CA-OG1 3.3Å; R91-T94 PolarHBondContact O-OG1 2.87Å; E92-T94 VanDerWaalsContact C-N 3.33Å; E92-T94 PolarHBondContact O-N 2.95Å; T94-N98 WeakPolarHBondContact O-CB 3.05Å; T94-N98 VanDerWaalsContact O-CG 3.25Å; T94-N98 PolarHBondContact O-N 2.91Å; T94-N98 PolarHBondContact O-ND2 2.9Å; T94-N98 VanDerWaalsContact O-ND2 3.08Å |
| 95 | V | 88.7 | Confident | 80.2 | Confident | 58 Ų | 58 | 101.9 Ų | 101.9 | 35% | 0.352 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.9 | -40.9 | 174.7 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | R91 E92 N98 R99 | R91-V95 VanDerWaalsContact O-CG2 3.27Å; R91-V95 WeakPolarHBondContact O-CG2 3.44Å; R91-V95 PolarHBondContact O-N 3.44Å; R91-V95 VanDerWaalsContact O-N 3.1Å; E92-V95 PolarHBondContact O-N 3.04Å; V95-N98 PolarHBondContact O-N 3.49Å; V95-R99 WeakPolarHBondContact O-CG 3.32Å; V95-R99 PolarHBondContact O-N 3.34Å |
| 96 | Q | 86.2 | Confident | 78.2 | Confident | 120 Ų | 120 | 101.7 Ų | 101.7 | 56% | 0.561 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.8 | -42.7 | 176.9 | -74 | -176.3 | 43.9 | 0 | 0 | 111.9 | E92 A93 N98 R99 S100 | E92-Q96 WeakPolarHBondContact O-CB 3.44Å; E92-Q96 VanDerWaalsContact O-CG 3.31Å; E92-Q96 WeakPolarHBondContact O-CG 3.43Å; E92-Q96 PolarHBondContact O-N 2.72Å; A93-Q96 PolarHBondContact O-N 3.02Å; Q96-N98 VanDerWaalsContact C-N 3.32Å; Q96-N98 PolarHBondContact O-N 3.45Å; Q96-R99 PolarHBondContact O-N 3.47Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; Q96-S100 WeakPolarHBondContact O-CB 3.45Å; Q96-S100 PolarHBondContact O-N 3.12Å; Q96-S100 PolarHBondContact O-OG 3.14Å; Q96-S100 VanDerWaalsContact O-OG 3.09Å |
| 97 | A | 85.2 | Confident | 76 | Confident | 54 Ų | 54 | 101.9 Ų | 101.9 | 45% | 0.446 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.1 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | A93 R99 S100 | A93-A97 VanDerWaalsContact O-CB 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.22Å; A93-A97 PolarHBondContact O-N 3.5Å; A97-R99 VanDerWaalsContact C-N 3.33Å; A97-R99 PolarHBondContact O-N 3.21Å; A97-S100 PolarHBondContact O-OG 3.12Å |
| 98 | N | 80 | Confident | 73.9 | Confident | 136 Ų | 136 | 104.5 Ų | 104.5 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.8 | -30.6 | 175.1 | -73.1 | -32.4 | 0 | 0 | 0 | 112.9 | T94 V95 Q96 | T94-N98 WeakPolarHBondContact O-CB 3.05Å; T94-N98 VanDerWaalsContact O-CG 3.25Å; T94-N98 PolarHBondContact O-N 2.91Å; T94-N98 PolarHBondContact O-ND2 2.9Å; T94-N98 VanDerWaalsContact O-ND2 3.08Å; V95-N98 PolarHBondContact O-N 3.49Å; Q96-N98 VanDerWaalsContact C-N 3.32Å; Q96-N98 PolarHBondContact O-N 3.45Å |
| 99 | R | 77.1 | Confident | 71.7 | Confident | 212 Ų | 212 | 104.4 Ų | 104.4 | 80% | 0.8 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -81.7 | -35.6 | 177.8 | -76 | -179.7 | 177.1 | -170.3 | 0.5 | 113.5 | V95 Q96 A97 G101 | V95-R99 WeakPolarHBondContact O-CG 3.32Å; V95-R99 PolarHBondContact O-N 3.34Å; Q96-R99 PolarHBondContact O-N 3.47Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; A97-R99 VanDerWaalsContact C-N 3.33Å; A97-R99 PolarHBondContact O-N 3.21Å; R99-G101 PolarHBondContact O-N 2.94Å |
| 100 | S | 63.1 | Low | 70 | Confident | 80 Ų | 80 | 106.5 Ų | 106.5 | 56% | 0.559 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.6 | -6.7 | -173.8 | 62 | 0 | 0 | 0 | 0 | 113.3 | Q96 A97 H102 | Q96-S100 WeakPolarHBondContact O-CB 3.45Å; Q96-S100 PolarHBondContact O-N 3.12Å; Q96-S100 PolarHBondContact O-OG 3.14Å; Q96-S100 VanDerWaalsContact O-OG 3.09Å; A97-S100 PolarHBondContact O-OG 3.12Å; S100-H102 PolarHBondContact O-N 3.11Å |
| 101 | G | 54.5 | Low | 67.9 | Low | 66 Ų | 66 | 108 Ų | 108 | 68% | 0.68 | 61% | 0.607 | S | S | * | * | trans | 57.6 | 4.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R99 I103 | R99-G101 PolarHBondContact O-N 2.94Å; G101-I103 PolarHBondContact O-N 3.09Å | ||
| 102 | H | 54 | Low | 66.4 | Low | 137 Ų | 137 | 107 Ų | 107 | 63% | 0.634 | 62% | 0.619 | S | S | * | * | trans | -92.8 | 90.6 | 178.8 | -167.4 | 62.4 | 0 | 0 | 0 | 106.1 | S100 P104 | S100-H102 PolarHBondContact O-N 3.11Å; H102-P104 WeakPolarHBondContact O-CD 3.39Å | ||
| 103 | I | 57.1 | Low | 64.6 | Low | 130 Ų | 130 | 107.8 Ų | 107.8 | 67% | 0.667 | 63% | 0.631 | S | S | * | * | trans | -73.2 | 107.1 | 160.9 | -50.9 | 169.5 | 0 | 0 | 0 | 104.4 | G101 T105 | G101-I103 PolarHBondContact O-N 3.09Å; I103-T105 HydrophobicContact CB-CG2 4.06Å; I103-T105 HydrophobicContact CG2-CG2 3.41Å; I103-T105 VanDerWaalsContact CG2-CG2 3.41Å; I103-T105 PolarHBondContact O-N 3.05Å | ||
| 104 | P | 55.1 | Low | 62.6 | Low | 89 Ų | 89 | 109.7 Ų | 109.7 | 58% | 0.578 | 64% | 0.641 | S | S | * | * | trans | -69 | 88.2 | 159.9 | 30.5 | -30.7 | 0 | 0 | 0 | 105.4 | H102 T106 | H102-P104 WeakPolarHBondContact O-CD 3.39Å; P104-T106 PolarHBondContact O-N 3.03Å | ||
| 105 | T | 51.6 | Low | 61.3 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 66% | 0.663 | 66% | 0.655 | S | S | * | * | trans | -70.1 | 69.3 | 164.6 | 58.9 | 0 | 0 | 0 | 0 | 107.2 | I103 S107 | I103-T105 HydrophobicContact CB-CG2 4.06Å; I103-T105 HydrophobicContact CG2-CG2 3.41Å; I103-T105 VanDerWaalsContact CG2-CG2 3.41Å; I103-T105 PolarHBondContact O-N 3.05Å; T105-S107 PolarHBondContact O-N 3.01Å; T105-S107 VanDerWaalsContact O-N 3.12Å | ||
| 106 | T | 52.2 | Low | 59.7 | Low | 116 Ų | 116 | 116.7 Ų | 116.7 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | trans | -80.6 | 75.8 | 153.1 | 56.4 | 0 | 0 | 0 | 0 | 105.6 | P104 V108 | P104-T106 PolarHBondContact O-N 3.03Å; T106-V108 PolarHBondContact O-N 2.83Å | ||
| 107 | S | 48.7 | Very low | 58.1 | Low | 93 Ų | 93 | 118.6 Ų | 118.6 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | trans | -62.1 | 89.6 | 159.8 | 51.8 | 0 | 0 | 0 | 0 | 106.4 | T105 T109 | T105-S107 PolarHBondContact O-N 3.01Å; T105-S107 VanDerWaalsContact O-N 3.12Å; S107-T109 PolarHBondContact O-N 3.48Å | ||
| 108 | V | 51.1 | Low | 56.7 | Low | 113 Ų | 113 | 125.7 Ų | 125.7 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | trans | -71.6 | 85.8 | 159.5 | -175.3 | 0 | 0 | 0 | 0 | 104.7 | T106 I110 | T106-V108 PolarHBondContact O-N 2.83Å; V108-I110 HydrophobicContact CG1-CG1 3.73Å; V108-I110 PolarHBondContact O-N 3.32Å | ||
| 109 | T | 49.4 | Very low | 55.6 | Low | 118 Ų | 118 | 125.9 Ų | 125.9 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | trans | -63.3 | 94.2 | 161.3 | 38.3 | 0 | 0 | 0 | 0 | 106.4 | S107 D111 | S107-T109 PolarHBondContact O-N 3.48Å; T109-D111 VanDerWaalsContact C-N 3.31Å; T109-D111 PolarHBondContact O-N 2.84Å; T109-D111 VanDerWaalsContact O-N 3.09Å | ||
| 110 | I | 56.7 | Low | 54.6 | Low | 144 Ų | 144 | 126.1 Ų | 126.1 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | trans | -74.4 | 92.4 | 167.7 | -53.8 | 175 | 0 | 0 | 0 | 105.3 | V108 P112 | V108-I110 HydrophobicContact CG1-CG1 3.73Å; V108-I110 PolarHBondContact O-N 3.32Å; I110-P112 VanDerWaalsContact O-CD 3.29Å; I110-P112 WeakPolarHBondContact O-CD 3.45Å | ||
| 111 | D | 50.8 | Low | 54 | Low | 116 Ų | 116 | 125.4 Ų | 125.4 | 62% | 0.62 | 71% | 0.708 | S | S | * | * | trans | -63.2 | 119 | 165 | -97.5 | -30.1 | 0 | 0 | 0 | 108.1 | T109 T113 | T109-D111 VanDerWaalsContact C-N 3.31Å; T109-D111 PolarHBondContact O-N 2.84Å; T109-D111 VanDerWaalsContact O-N 3.09Å; D111-T113 PolarHBondContact O-N 3.28Å | ||
| 112 | P | 60.5 | Low | 54.1 | Low | 124 Ų | 124 | 125.6 Ų | 125.6 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 18.7 | -177.7 | 29 | -34.4 | 0 | 0 | 0 | 114.1 | I110 | I110-P112 VanDerWaalsContact O-CD 3.29Å; I110-P112 WeakPolarHBondContact O-CD 3.45Å |
| 113 | T | 53.9 | Low | 54.6 | Low | 122 Ų | 122 | 123.5 Ų | 123.5 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 2.9 | -175.5 | 60.5 | 0 | 0 | 0 | 0 | 114.7 | D111 K115 | D111-T113 PolarHBondContact O-N 3.28Å; T113-K115 PolarHBondContact O-N 2.78Å |
| 114 | S | 49.1 | Very low | 55.3 | Low | 96 Ų | 96 | 121.3 Ų | 121.3 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | trans | -90.7 | 101.7 | 178.3 | 164.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 115 | K | 62.8 | Low | 56.1 | Low | 168 Ų | 168 | 124.9 Ų | 124.9 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | trans | -48.7 | 144.9 | 168.2 | -62.1 | 178 | -177.4 | -177.8 | 0 | 110.8 | T113 F117 | T113-K115 PolarHBondContact O-N 2.78Å; K115-F117 PolarHBondContact O-N 3.07Å | ||
| 116 | P | 54.5 | Low | 56.9 | Low | 109 Ų | 109 | 129.4 Ų | 129.4 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | trans | -67.7 | 99.4 | -177.3 | 29 | -33.1 | 0 | 0 | 0 | 109.4 | Y118 | P116-Y118 VanDerWaalsContact O-CD1 3.25Å; P116-Y118 WeakPolarHBondContact O-CD1 3.23Å; P116-Y118 VanDerWaalsContact O-CE1 3.22Å; P116-Y118 WeakPolarHBondContact O-CE1 3.48Å; P116-Y118 PolarHBondContact O-N 3.25Å | ||
| 117 | F | 52.7 | Low | 57.8 | Low | 160 Ų | 160 | 127 Ų | 127 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | trans | -75.1 | 103.5 | 162.5 | -92.8 | -87.6 | 0 | 0 | 0 | 107.5 | K115 N119 | K115-F117 PolarHBondContact O-N 3.07Å; F117-N119 PolarHBondContact O-N 2.78Å | ||
| 118 | Y | 55.6 | Low | 59 | Low | 203 Ų | 203 | 129 Ų | 129 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | trans | -58.3 | 78.5 | 165.3 | 19.2 | -93.5 | 0 | 0 | 0 | 109.5 | P116 K120 | P116-Y118 VanDerWaalsContact O-CD1 3.25Å; P116-Y118 WeakPolarHBondContact O-CD1 3.23Å; P116-Y118 VanDerWaalsContact O-CE1 3.22Å; P116-Y118 WeakPolarHBondContact O-CE1 3.48Å; P116-Y118 PolarHBondContact O-N 3.25Å; Y118-K120 PolarHBondContact O-N 3.19Å | ||
| 119 | N | 56.6 | Low | 60 | Low | 140 Ų | 140 | 129.4 Ų | 129.4 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -81.6 | 105.8 | 171 | -75.5 | -24.1 | 0 | 0 | 0 | 108.5 | F117 G121 | F117-N119 PolarHBondContact O-N 2.78Å; N119-G121 PolarHBondContact O-N 3.05Å | ||
| 120 | K | 55.9 | Low | 60.8 | Low | 217 Ų | 217 | 127.3 Ų | 127.3 | 94% | 0.943 | 71% | 0.707 | S | S | * | * | trans | -59.3 | 66.5 | 174.7 | -139.2 | 167 | -176.8 | 178.1 | 0 | 111 | Y118 G122 | Y118-K120 PolarHBondContact O-N 3.19Å; K120-G122 VanDerWaalsContact C-N 3.35Å; K120-G122 PolarHBondContact O-N 2.95Å | ||
| 121 | G | 51.5 | Low | 61.3 | Low | 65 Ų | 65 | 127.6 Ų | 127.6 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | trans | -90.8 | 54.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N119 S123 | N119-G121 PolarHBondContact O-N 3.05Å; G121-S123 VanDerWaalsContact C-N 3.28Å; G121-S123 PolarHBondContact O-N 3.12Å | ||
| 122 | G | 55.4 | Low | 62.2 | Low | 70 Ų | 70 | 125.6 Ų | 125.6 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 36.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | K120 | K120-G122 VanDerWaalsContact C-N 3.35Å; K120-G122 PolarHBondContact O-N 2.95Å |
| 123 | S | 66.2 | Low | 62.3 | Low | 92 Ų | 92 | 125 Ų | 125 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -23.9 | -176.2 | 65.8 | 0 | 0 | 0 | 0 | 115.4 | G121 A127 | G121-S123 VanDerWaalsContact C-N 3.28Å; G121-S123 PolarHBondContact O-N 3.12Å; S123-A127 PolarHBondContact O-N 3.46Å |
| 124 | S | 71.8 | Confident | 62.8 | Low | 85 Ų | 85 | 127.8 Ų | 127.8 | 59% | 0.594 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -77 | -47.5 | -172.8 | -169.2 | 0 | 0 | 0 | 0 | 113.2 | R126 A127 L128 | S124-R126 VanDerWaalsContact C-N 3.27Å; S124-R126 PolarHBondContact O-N 3.46Å; S124-A127 PolarHBondContact O-N 3.17Å; S124-L128 PolarHBondContact O-N 2.88Å |
| 125 | Q | 70.6 | Confident | 63.6 | Low | 163 Ų | 163 | 133.3 Ų | 133.3 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -64.7 | -32.1 | 176.7 | -71.5 | 176.6 | -10.8 | 0 | 0 | 112.1 | L128 L129 | Q125-L128 PolarHBondContact O-N 3.04Å; Q125-L129 WeakPolarHBondContact O-CG 3.41Å; Q125-L129 PolarHBondContact O-N 2.78Å |
| 126 | R | 68.5 | Low | 63.2 | Low | 204 Ų | 204 | 132.1 Ų | 132.1 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -72.6 | -31.1 | 177.9 | -160.7 | 173.8 | -170.3 | -119.6 | 2.3 | 112.8 | S124 L129 A130 | S124-R126 VanDerWaalsContact C-N 3.27Å; S124-R126 PolarHBondContact O-N 3.46Å; R126-L129 PolarHBondContact O-N 3.47Å; R126-A130 PolarHBondContact O-N 3.02Å; R126-A130 VanDerWaalsContact O-N 3.12Å |
| 127 | A | 71.5 | Confident | 63 | Low | 64 Ų | 64 | 132.7 Ų | 132.7 | 53% | 0.529 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -69.5 | -34.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S123 S124 L129 A130 | S123-A127 PolarHBondContact O-N 3.46Å; S124-A127 PolarHBondContact O-N 3.17Å; A127-L129 VanDerWaalsContact C-N 3.35Å; A127-A130 PolarHBondContact O-N 2.86Å |
| 128 | L | 73.2 | Confident | 62.9 | Low | 137 Ų | 137 | 128.2 Ų | 128.2 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -68.2 | -34.2 | 175.4 | -65.5 | 171.9 | 0 | 0 | 0 | 112.3 | S124 Q125 | S124-L128 PolarHBondContact O-N 2.88Å; Q125-L128 PolarHBondContact O-N 3.04Å |
| 129 | L | 73.1 | Confident | 62.6 | Low | 121 Ų | 121 | 123.6 Ų | 123.6 | 63% | 0.634 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -84.3 | -16.7 | 179.4 | -63.4 | 172.5 | 0 | 0 | 0 | 113.8 | Q125 R126 A127 N131 A132 | Q125-L129 WeakPolarHBondContact O-CG 3.41Å; Q125-L129 PolarHBondContact O-N 2.78Å; R126-L129 PolarHBondContact O-N 3.47Å; A127-L129 VanDerWaalsContact C-N 3.35Å; L129-N131 PolarHBondContact O-N 3.49Å; L129-N131 VanDerWaalsContact O-N 3.14Å; L129-A132 PolarHBondContact O-N 3.2Å; L129-A132 VanDerWaalsContact O-N 3.12Å |
| 130 | A | 66.1 | Low | 62.2 | Low | 73 Ų | 73 | 124.1 Ų | 124.1 | 60% | 0.603 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -24.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | R126 A127 | R126-A130 PolarHBondContact O-N 3.02Å; R126-A130 VanDerWaalsContact O-N 3.12Å; A127-A130 PolarHBondContact O-N 2.86Å |
| 131 | N | 67.8 | Low | 61.8 | Low | 151 Ų | 151 | 121.7 Ų | 121.7 | 81% | 0.807 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -1.8 | 178.8 | -66.7 | -28.6 | 0 | 0 | 0 | 113.7 | L129 | L129-N131 PolarHBondContact O-N 3.49Å; L129-N131 VanDerWaalsContact O-N 3.14Å |
| 132 | A | 68.6 | Low | 61.5 | Low | 73 Ų | 73 | 127.7 Ų | 127.7 | 60% | 0.603 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -20.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L129 | L129-A132 PolarHBondContact O-N 3.2Å; L129-A132 VanDerWaalsContact O-N 3.12Å |
| 133 | V | 62.7 | Low | 61 | Low | 111 Ų | 111 | 129.8 Ų | 129.8 | 67% | 0.673 | 73% | 0.732 | S | S | * | * | trans | -117.1 | 78.9 | -176.2 | -175 | 0 | 0 | 0 | 0 | 110.9 | R135 | V133-R135 HydrophobicContact CG1-CG 3.8Å; V133-R135 PolarHBondContact O-N 3Å | ||
| 134 | K | 65.4 | Low | 59.9 | Low | 182 Ų | 182 | 129 Ų | 129 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -90.6 | 92.1 | 166.9 | -176.4 | 174.4 | 160.8 | -174.5 | 0 | 108.7 | ||||
| 135 | R | 66.3 | Low | 58.7 | Low | 212 Ų | 212 | 130.2 Ų | 130.2 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | -82.6 | 115.7 | 171.3 | -63.4 | -174 | -63.3 | 148.8 | 0.5 | 108.8 | V133 S137 | V133-R135 HydrophobicContact CG1-CG 3.8Å; V133-R135 PolarHBondContact O-N 3Å; R135-S137 VanDerWaalsContact C-N 3.35Å; R135-S137 PolarHBondContact O-N 2.91Å | ||
| 136 | N | 54.5 | Low | 57.5 | Low | 142 Ų | 142 | 131.7 Ų | 131.7 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -68.9 | 91.8 | 166.5 | -77.5 | 25.2 | 0 | 0 | 0 | 108.7 | G138 | N136-G138 PolarHBondContact O-N 3.07Š| ||
| 137 | S | 48.5 | Very low | 56.8 | Low | 122 Ų | 122 | 126.3 Ų | 126.3 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | -81.9 | 85.4 | 166.4 | 58.7 | 0 | 0 | 0 | 0 | 109.3 | R135 | R135-S137 VanDerWaalsContact C-N 3.35Å; R135-S137 PolarHBondContact O-N 2.91Å | ||
| 138 | G | 52.4 | Low | 55.8 | Low | 66 Ų | 66 | 132.7 Ų | 132.7 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | -108 | 118.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | N136 | N136-G138 PolarHBondContact O-N 3.07Š| ||
| 139 | S | 48.1 | Very low | 54.4 | Low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | 53.7 | 100.8 | 160.7 | -144.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 140 | L | 48.1 | Very low | 53.9 | Low | 152 Ų | 152 | 137.7 Ų | 137.7 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | 38.5 | 97.5 | 89.3 | -67.2 | 167.3 | 0 | 0 | 0 | 111.6 | |||||
| 141 | D | 47.5 | Very low | 53 | Low | 165 Ų | 165 | 141.4 Ų | 141.4 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | -161.9 | 122.2 | 119.4 | -92.1 | -27.7 | 0 | 0 | 0 | 112.1 | |||||
| 142 | M | 45.7 | Very low | 52.4 | Low | 191 Ų | 191 | 142 Ų | 142 | 94% | 0.941 | 79% | 0.79 | S | S | * | * | trans | -79.8 | 114.4 | 174.1 | -75 | -81 | -175.4 | 0 | 0 | 108.5 | ||||
| 143 | S | 45 | Very low | 51.6 | Low | 114 Ų | 114 | 149.4 Ų | 149.4 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -165.1 | 96.3 | 165.3 | 176.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 144 | G | 42.1 | Very low | 50.7 | Low | 75 Ų | 75 | 150.2 Ų | 150.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -98.3 | 149.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 145 | P | 47.1 | Very low | 50.1 | Low | 112 Ų | 112 | 147.4 Ų | 147.4 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -134.8 | 124.9 | 137.4 | 23.2 | -4.3 | 0 | 0 | 0 | 110.5 | ||||
| 146 | Q | 45.4 | Very low | 49 | Very low | 193 Ų | 193 | 143 Ų | 143 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | 49.8 | 111.6 | 94.6 | -69 | -92.7 | -44.3 | 0 | 0 | 113 | |||||
| 147 | S | 54.4 | Low | 48.6 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | 157.9 | 117.8 | 124.2 | 177.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 148 | K | 49.6 | Very low | 48.5 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | 76.6 | 111.8 | 136.4 | -66.3 | 171.6 | -161.7 | 173.6 | 0 | 121 | ||||
| 149 | R | 44.6 | Very low | 48.5 | Very low | 250 Ų | 250 | 145.6 Ų | 145.6 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | trans | -49.6 | 137.3 | 151.7 | -67.6 | 168.8 | 152.6 | 167.2 | -7.6 | 112.8 | ||||
| 150 | S | 62 | Low | 48.4 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -157.5 | 116.4 | 139.3 | 62.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 151 | N | 46.9 | Very low | 48.2 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | trans | -25.2 | 124.4 | 161.1 | -167.9 | 24.9 | 0 | 0 | 0 | 118.1 | ||||
| 152 | I | 55.7 | Low | 48.1 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -140.7 | 96.4 | 154.3 | -61 | -174.4 | 0 | 0 | 0 | 111.1 | ||||
| 153 | R | 51.2 | Low | 47.7 | Very low | 227 Ų | 227 | 139.7 Ų | 139.7 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -8.2 | 125 | 141 | -168.9 | 174 | 165.9 | -147.5 | -3.7 | 117.9 | ||||
| 154 | T | 44 | Very low | 47.8 | Very low | 129 Ų | 129 | 143 Ų | 143 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -74.3 | 153.7 | 164 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 155 | P | 52.7 | Low | 48 | Very low | 122 Ų | 122 | 147 Ų | 147 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -123.2 | 127.9 | 148.1 | 32.5 | -19.4 | 0 | 0 | 0 | 111.8 | ||||
| 156 | S | 42.7 | Very low | 47.6 | Very low | 121 Ų | 121 | 149 Ų | 149 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -56.6 | 141.5 | 159.2 | 159.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 157 | S | 47.1 | Very low | 47.8 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | 178 | 141.2 | 126 | -169.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 158 | S | 46.5 | Very low | 46.9 | Very low | 89 Ų | 89 | 149.3 Ų | 149.3 | 62% | 0.622 | 81% | 0.807 | S | S | * | * | trans | 72.1 | 112.2 | 150.8 | 77.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 159 | E | 52.2 | Low | 46.6 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | -151.8 | 112.4 | 112 | -64.4 | -157.8 | 141.5 | 0 | 0 | 106.4 | |||||
| 160 | M | 45.7 | Very low | 46.4 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | 54.4 | 99 | 77.2 | -85.1 | 135.1 | 113.3 | 0 | 0 | 116 | |||||
| 161 | C | 44.6 | Very low | 45.4 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -1.6 | 153.7 | 142.5 | -81.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 162 | P | 45.8 | Very low | 45.3 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | -156.7 | 168.4 | 64.8 | 38.8 | -16.5 | 0 | 0 | 0 | 118.7 | |||||
| 163 | G | 36.7 | Very low | 44.7 | Very low | 72 Ų | 72 | 144.7 Ų | 144.7 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -84.4 | 159 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 164 | Q | 47 | Very low | 44.6 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -148.7 | 118.2 | 166 | -64.2 | -169.1 | -22.4 | 0 | 0 | 106.1 | ||||
| 165 | H | 47.1 | Very low | 44.9 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | 58.7 | 93.1 | 71.3 | -137.5 | -71.3 | 0 | 0 | 0 | 114.4 | |||||
| 166 | E | 38.6 | Very low | 44.9 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 14 | 128.3 | 136 | -40.3 | -179.1 | -166.4 | 0 | 0 | 118.4 | ||||
| 167 | N | 48 | Very low | 45 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | -173.3 | 144.2 | 128.9 | -90.8 | -27.9 | 0 | 0 | 0 | 114.1 | |||||
| 168 | T | 35.8 | Very low | 44.9 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | trans | -95.6 | 160.3 | 177 | -51.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 169 | V | 43.5 | Very low | 44.6 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 107.1 | 103 | 154.8 | -169.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 170 | K | 40.6 | Very low | 44.3 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | 26 | 127.9 | 132.2 | -53 | 177.8 | -179 | 178.5 | 0 | 119.6 | ||||
| 171 | T | 42 | Very low | 44 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | -177.1 | 149.2 | 108.2 | 41.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 172 | K | 43.3 | Very low | 44 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 152.1 | -176.3 | -59.9 | 168.1 | 169.5 | -178.9 | 0 | 113.7 | ||||
| 173 | T | 44.6 | Very low | 43.9 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -178.6 | 109.5 | 132.5 | 40.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 174 | D | 48.5 | Very low | 44.5 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | 45.7 | 108.6 | 128.5 | -48.2 | -22.7 | 0 | 0 | 0 | 122.5 | |||||
| 175 | D | 50.4 | Low | 44.7 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | 58.6 | 158.6 | 115.3 | -79.5 | -11.3 | 0 | 0 | 0 | 123.3 | |||||
| 176 | P | 52.2 | Low | 45.3 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | -141.6 | -165.3 | -52.1 | 35.7 | -13.8 | 0 | 0 | 0 | 112.8 | |||||
| 177 | V | 44.1 | Very low | 46.8 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | 91.7 | 104.9 | 158.9 | -159.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 178 | V | 45.8 | Very low | 48 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | -160.8 | 108.1 | 111.5 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 179 | S | 40.3 | Very low | 49.7 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -81.1 | 125.1 | 165.9 | 43.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 180 | K | 46.9 | Very low | 51 | Low | 185 Ų | 185 | 141.4 Ų | 141.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -153.9 | 94.4 | 153.3 | -94.5 | -178.2 | -178.3 | 177.3 | 0 | 106.7 | ||||
| 181 | L | 38.3 | Very low | 52.6 | Low | 155 Ų | 155 | 136.8 Ų | 136.8 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | 50.7 | 85 | 89 | -140.8 | 93.3 | 0 | 0 | 0 | 112.7 | |||||
| 182 | L | 44.5 | Very low | 54.2 | Low | 157 Ų | 157 | 133.7 Ų | 133.7 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -147.3 | 101.3 | 155.1 | -109.2 | 113.9 | 0 | 0 | 0 | 111 | ||||
| 183 | N | 44.5 | Very low | 55.7 | Low | 145 Ų | 145 | 130.2 Ų | 130.2 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | -54.1 | 137.1 | 162.1 | -62 | 39.3 | 0 | 0 | 0 | 110.2 | ||||
| 184 | G | 48.9 | Very low | 57.3 | Low | 73 Ų | 73 | 130.3 Ų | 130.3 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | 61.3 | 67.5 | 161 | 0 | 0 | 0 | 0 | 0 | 115.6 | V186 | G184-V186 PolarHBondContact O-N 2.87Š| ||
| 185 | S | 50.1 | Low | 58.4 | Low | 85 Ų | 85 | 127.6 Ų | 127.6 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | trans | -75.8 | 86.1 | 178 | -178.9 | 0 | 0 | 0 | 0 | 112 | M187 | S185-M187 PolarHBondContact O-N 3.2Å; S185-M187 WeakPolarHBondContact OG-CE 3.35Å | ||
| 186 | V | 60.8 | Low | 59.4 | Low | 128 Ų | 128 | 125 Ų | 125 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -71.6 | 103.2 | 156.8 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | G184 R188 | G184-V186 PolarHBondContact O-N 2.87Å; V186-R188 PolarHBondContact O-N 2.81Å | ||
| 187 | M | 69.6 | Low | 60.2 | Low | 158 Ų | 158 | 124.2 Ų | 124.2 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 120.4 | 172.9 | -76.6 | -81.5 | 148.3 | 0 | 0 | 109.3 | S185 | S185-M187 PolarHBondContact O-N 3.2Å; S185-M187 WeakPolarHBondContact OG-CE 3.35Å |
| 188 | R | 72.4 | Confident | 61.3 | Low | 218 Ų | 218 | 124.7 Ų | 124.7 | 82% | 0.823 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 133.1 | 172.7 | -58.3 | -162.1 | -146.9 | -179.4 | 7.3 | 109.7 | V186 V190 | V186-R188 PolarHBondContact O-N 2.81Å; R188-V190 PolarHBondContact O-N 3.05Å |
| 189 | P | 73 | Confident | 62.3 | Low | 102 Ų | 102 | 127.5 Ų | 127.5 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 127.7 | 173.7 | 24.8 | -30.2 | 0 | 0 | 0 | 110.4 | ||
| 190 | V | 70.1 | Confident | 63.3 | Low | 145 Ų | 145 | 127.2 Ų | 127.2 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | trans | -95.4 | -11.4 | -175.3 | 175.2 | 0 | 0 | 0 | 0 | 112.5 | R188 | R188-V190 PolarHBondContact O-N 3.05Š| ||
| 191 | A | 75.3 | Confident | 63.6 | Low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -163.7 | 150.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 192 | V | 75.6 | Confident | 64.3 | Low | 82 Ų | 82 | 122.9 Ų | 122.9 | 50% | 0.497 | 73% | 0.727 | S | S | . | * | trans | -113.3 | 122.9 | 175.6 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | L196 E198 | V192-L196 WeakPolarHBondContact CG1-O 3.33Å; V192-E198 HydrophobicContact CG2-CG 4.29Å | ||
| 193 | L | 74.7 | Confident | 65 | Low | 120 Ų | 120 | 122 Ų | 122 | 63% | 0.628 | 72% | 0.724 | S | S | * | * | trans | -73.8 | 137.3 | 177.9 | -73.5 | 169.4 | 0 | 0 | 0 | 110.3 | G195 L196 | L193-G195 PolarHBondContact O-N 3.3Å; L193-G195 VanDerWaalsContact O-N 3.12Å; L193-L196 HydrophobicContact CB-CB 4.3Å; L193-L196 HydrophobicContact CB-CD1 4.13Å; L193-L196 HydrophobicContact CD1-CD1 3.96Å; L193-L196 PolarHBondContact O-N 2.91Å | ||
| 194 | P | 76.7 | Confident | 65.4 | Low | 133 Ų | 133 | 120.4 Ų | 120.4 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 120 | 174.2 | -22.7 | 32.3 | 0 | 0 | 0 | 110.8 | ||
| 195 | G | 73.1 | Confident | 65.8 | Low | 83 Ų | 83 | 123.6 Ų | 123.6 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.6 | -4.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L193 | L193-G195 PolarHBondContact O-N 3.3Å; L193-G195 VanDerWaalsContact O-N 3.12Å |
| 196 | L | 71.5 | Confident | 66.1 | Low | 98 Ų | 98 | 127.9 Ų | 127.9 | 51% | 0.513 | 73% | 0.734 | S | S | . | * | trans | -118.5 | 86.6 | 171.6 | -73.9 | 170.3 | 0 | 0 | 0 | 108.6 | V192 L193 | V192-L196 WeakPolarHBondContact CG1-O 3.33Å; L193-L196 HydrophobicContact CB-CB 4.3Å; L193-L196 HydrophobicContact CB-CD1 4.13Å; L193-L196 HydrophobicContact CD1-CD1 3.96Å; L193-L196 PolarHBondContact O-N 2.91Å | ||
| 197 | S | 68.3 | Low | 66 | Low | 85 Ų | 85 | 126.8 Ų | 126.8 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | trans | -69.8 | 148.1 | 169.2 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | Y199 | S197-Y199 PolarHBondContact O-N 2.61Š| ||
| 198 | E | 67.4 | Low | 65.7 | Low | 134 Ų | 134 | 125 Ų | 125 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | trans | -52.8 | 110.1 | 173 | -66.8 | 168.1 | 179.4 | 0 | 0 | 110.2 | V192 S200 | V192-E198 HydrophobicContact CG2-CG 4.29Å; E198-S200 VanDerWaalsContact C-N 3.29Å; E198-S200 PolarHBondContact O-N 2.94Å | ||
| 199 | Y | 67.1 | Low | 65.1 | Low | 194 Ų | 194 | 120.7 Ų | 120.7 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | trans | -73.7 | 93 | 163.2 | -63.1 | -81.6 | 0 | 0 | 0 | 106.1 | S197 T201 | S197-Y199 PolarHBondContact O-N 2.61Å; Y199-T201 PolarHBondContact O-N 3.34Å | ||
| 200 | S | 59.7 | Low | 64.3 | Low | 101 Ų | 101 | 119.9 Ų | 119.9 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | -47.1 | 129 | 161.5 | -80.3 | 0 | 0 | 0 | 0 | 107.4 | E198 S202 | E198-S200 VanDerWaalsContact C-N 3.29Å; E198-S200 PolarHBondContact O-N 2.94Å; S200-S202 VanDerWaalsContact C-N 3.28Å; S200-S202 PolarHBondContact O-N 3.18Å | ||
| 201 | T | 53.4 | Low | 63.9 | Low | 147 Ų | 147 | 118.6 Ų | 118.6 | 90% | 0.902 | 71% | 0.709 | S | S | * | * | trans | -44.9 | 92.7 | 175.6 | 52.4 | 0 | 0 | 0 | 0 | 109.5 | Y199 | Y199-T201 PolarHBondContact O-N 3.34Š| ||
| 202 | S | 53.9 | Low | 63.1 | Low | 101 Ų | 101 | 121.1 Ų | 121.1 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | trans | -112.2 | 104.6 | 176.8 | -172.4 | 0 | 0 | 0 | 0 | 104.4 | S200 S204 | S200-S202 VanDerWaalsContact C-N 3.28Å; S200-S202 PolarHBondContact O-N 3.18Å; S202-S204 PolarHBondContact O-N 2.94Å | ||
| 203 | D | 58.8 | Low | 62.4 | Low | 140 Ų | 140 | 123.6 Ų | 123.6 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | -36.1 | 110.1 | 172.9 | -81.9 | -44.6 | 0 | 0 | 0 | 110 | ||||
| 204 | S | 53.9 | Low | 61.6 | Low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -96.3 | 86.6 | 162.1 | -72.3 | 0 | 0 | 0 | 0 | 106.2 | S202 Q206 | S202-S204 PolarHBondContact O-N 2.94Å; S204-Q206 PolarHBondContact O-N 3.38Å | ||
| 205 | D | 56.5 | Low | 60.6 | Low | 140 Ų | 140 | 124.8 Ų | 124.8 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | trans | -65.6 | 78.5 | 163.1 | -62.3 | -43 | 0 | 0 | 0 | 108.3 | S207 | D205-S207 VanDerWaalsContact C-N 3.33Å; D205-S207 PolarHBondContact O-N 3.02Å | ||
| 206 | Q | 57.5 | Low | 60.1 | Low | 175 Ų | 175 | 125.3 Ų | 125.3 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -90.4 | 80.7 | 157.1 | -77.4 | -163.8 | 14.2 | 0 | 0 | 107.7 | S204 T208 | S204-Q206 PolarHBondContact O-N 3.38Å; Q206-T208 PolarHBondContact O-N 2.92Å; Q206-T208 VanDerWaalsContact O-N 3.15Å | ||
| 207 | S | 58.3 | Low | 59.6 | Low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | trans | -70.7 | 96.7 | 158.4 | 51.5 | 0 | 0 | 0 | 0 | 107.7 | D205 D209 | D205-S207 VanDerWaalsContact C-N 3.33Å; D205-S207 PolarHBondContact O-N 3.02Å; S207-D209 PolarHBondContact O-N 3.43Å | ||
| 208 | T | 62.3 | Low | 59.8 | Low | 122 Ų | 122 | 125.5 Ų | 125.5 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | trans | -71.8 | 88.5 | 158.8 | -62.3 | 0 | 0 | 0 | 0 | 106.9 | Q206 S210 | Q206-T208 PolarHBondContact O-N 2.92Å; Q206-T208 VanDerWaalsContact O-N 3.15Å; T208-S210 PolarHBondContact O-N 2.87Å | ||
| 209 | D | 61.1 | Low | 60 | Low | 126 Ų | 126 | 125.4 Ų | 125.4 | 67% | 0.674 | 71% | 0.707 | S | S | * | * | trans | -76.4 | 97.2 | 167.9 | -158.6 | 22.5 | 0 | 0 | 0 | 106.7 | S207 | S207-D209 PolarHBondContact O-N 3.43Š| ||
| 210 | S | 55.8 | Low | 60.6 | Low | 86 Ų | 86 | 120.4 Ų | 120.4 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | trans | -99.9 | 86 | 172.7 | -152.2 | 0 | 0 | 0 | 0 | 106.5 | T208 D212 | T208-S210 PolarHBondContact O-N 2.87Å; S210-D212 PolarHBondContact O-N 3.38Å; S210-D212 PolarHBondContact OG-OD2 3.02Å | ||
| 211 | D | 61.7 | Low | 61.6 | Low | 118 Ų | 118 | 118.4 Ų | 118.4 | 63% | 0.631 | 68% | 0.683 | S | S | * | * | trans | -68.2 | 79.6 | 164.1 | -69 | -48.2 | 0 | 0 | 0 | 108.3 | D213 | D211-D213 PolarHBondContact O-N 3.48Å; D211-D213 VanDerWaalsContact O-N 3.07Å | ||
| 212 | D | 58.3 | Low | 63 | Low | 143 Ų | 143 | 115.7 Ų | 115.7 | 77% | 0.765 | 67% | 0.666 | S | S | * | * | trans | -79.2 | 74.3 | 160.4 | -78.6 | -55.4 | 0 | 0 | 0 | 108.2 | S210 E214 | S210-D212 PolarHBondContact O-N 3.38Å; S210-D212 PolarHBondContact OG-OD2 3.02Å; D212-E214 PolarHBondContact O-N 3.44Å | ||
| 213 | D | 60.3 | Low | 64.3 | Low | 134 Ų | 134 | 114.2 Ų | 114.2 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | trans | -68.6 | 71.3 | 163.8 | -85.2 | -44.9 | 0 | 0 | 0 | 109.4 | D211 S215 | D211-D213 PolarHBondContact O-N 3.48Å; D211-D213 VanDerWaalsContact O-N 3.07Å; D213-S215 PolarHBondContact O-N 3.47Å | ||
| 214 | E | 57.2 | Low | 65.6 | Low | 173 Ų | 173 | 110.9 Ų | 110.9 | 81% | 0.808 | 64% | 0.64 | S | S | * | * | trans | -74.7 | 74.4 | 158.9 | -161 | 172.2 | 128 | 0 | 0 | 108 | D212 T216 | D212-E214 PolarHBondContact O-N 3.44Å; E214-T216 PolarHBondContact O-N 2.96Å | ||
| 215 | S | 57.4 | Low | 67.3 | Low | 105 Ų | 105 | 111.4 Ų | 111.4 | 73% | 0.734 | 63% | 0.633 | S | S | * | * | trans | -74.3 | 76.4 | 175.2 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | D213 | D213-S215 PolarHBondContact O-N 3.47Š| ||
| 216 | T | 62.2 | Low | 68.7 | Low | 95 Ų | 95 | 110.4 Ų | 110.4 | 58% | 0.583 | 62% | 0.624 | S | S | * | * | trans | -101.9 | 94 | 158.8 | 57.5 | 0 | 0 | 0 | 0 | 107.8 | E214 | E214-T216 PolarHBondContact O-N 2.96Š| ||
| 217 | D | 59.9 | Low | 70.1 | Confident | 74 Ų | 74 | 108.2 Ų | 108.2 | 40% | 0.396 | 61% | 0.614 | S | S | . | * | trans | 76 | 75 | 142.5 | -45.8 | -50.7 | 0 | 0 | 0 | 117.1 | E219 D220 A221 | D217-E219 PolarHBondContact O-N 3.07Å; D217-D220 HydrophobicContact CB-CB 3.29Å; D217-D220 WeakPolarHBondContact CB-OD2 3.5Å; D217-D220 PolarHBondContact O-N 2.71Å; D217-A221 PolarHBondContact O-N 3.02Å | ||
| 218 | V | 72.5 | Confident | 71.5 | Confident | 112 Ų | 112 | 107.2 Ų | 107.2 | 68% | 0.679 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -53.4 | -35.8 | 159.1 | 171.7 | 0 | 0 | 0 | 0 | 109.7 | A221 V222 | V218-A221 PolarHBondContact O-N 3.11Å; V218-V222 VanDerWaalsContact O-CG2 3.31Å; V218-V222 WeakPolarHBondContact O-CG2 3.24Å; V218-V222 PolarHBondContact O-N 3.45Å |
| 219 | E | 72.9 | Confident | 72.7 | Confident | 133 Ų | 133 | 103.5 Ų | 103.5 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.3 | -38.7 | 172.6 | -67.5 | 74.2 | -164.9 | 0 | 0 | 112.8 | D217 V222 C223 | D217-E219 PolarHBondContact O-N 3.07Å; E219-V222 PolarHBondContact O-N 3.16Å; E219-C223 WeakPolarHBondContact O-CB 3.49Å; E219-C223 PolarHBondContact O-N 3.18Å; E219-C223 PolarHBondContact O-SG 3.06Å |
| 220 | D | 79.6 | Confident | 74 | Confident | 88 Ų | 88 | 100.1 Ų | 100.1 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -75.7 | -33.2 | 175.8 | -69.2 | -8.4 | 0 | 0 | 0 | 111.9 | D217 V222 C223 T224 | D217-D220 HydrophobicContact CB-CB 3.29Å; D217-D220 WeakPolarHBondContact CB-OD2 3.5Å; D217-D220 PolarHBondContact O-N 2.71Å; D220-V222 VanDerWaalsContact C-N 3.31Å; D220-V222 PolarHBondContact O-N 3.12Å; D220-C223 PolarHBondContact O-N 3.35Å; D220-T224 WeakPolarHBondContact O-CB 3.34Å; D220-T224 WeakPolarHBondContact O-CG2 3.34Å; D220-T224 PolarHBondContact O-N 3.14Å; D220-T224 PolarHBondContact O-OG1 3.08Å |
| 221 | A | 80 | Confident | 75.3 | Confident | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.4 | -41.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D217 V218 T224 L225 | D217-A221 PolarHBondContact O-N 3.02Å; V218-A221 PolarHBondContact O-N 3.11Å; A221-T224 WeakPolarHBondContact CA-OG1 3.3Å; A221-T224 PolarHBondContact O-OG1 2.83Å; A221-L225 WeakPolarHBondContact O-CB 3.48Å; A221-L225 PolarHBondContact O-N 3.42Å |
| 222 | V | 82.9 | Confident | 76.4 | Confident | 91 Ų | 91 | 101.4 Ų | 101.4 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.8 | -42.5 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 111 | V218 E219 D220 L225 Q226 | V218-V222 VanDerWaalsContact O-CG2 3.31Å; V218-V222 WeakPolarHBondContact O-CG2 3.24Å; V218-V222 PolarHBondContact O-N 3.45Å; E219-V222 PolarHBondContact O-N 3.16Å; D220-V222 VanDerWaalsContact C-N 3.31Å; D220-V222 PolarHBondContact O-N 3.12Å; V222-L225 PolarHBondContact O-N 3.26Å; V222-Q226 WeakPolarHBondContact O-CB 3.26Å; V222-Q226 PolarHBondContact O-N 2.9Å |
| 223 | C | 81.5 | Confident | 77.5 | Confident | 69 Ų | 69 | 100.2 Ų | 100.2 | 47% | 0.466 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 178.1 | -73.4 | 0 | 0 | 0 | 0 | 112.4 | E219 D220 Q226 Q227 | E219-C223 WeakPolarHBondContact O-CB 3.49Å; E219-C223 PolarHBondContact O-N 3.18Å; E219-C223 PolarHBondContact O-SG 3.06Å; D220-C223 PolarHBondContact O-N 3.35Å; C223-Q226 PolarHBondContact O-N 3.31Å; C223-Q227 WeakPolarHBondContact O-CB 3.4Å; C223-Q227 VanDerWaalsContact O-CG 3.3Å; C223-Q227 WeakPolarHBondContact O-CG 3.45Å; C223-Q227 PolarHBondContact O-N 3.18Å |
| 224 | T | 86.5 | Confident | 78.3 | Confident | 70 Ų | 70 | 102 Ų | 102 | 43% | 0.429 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 176.7 | 49.8 | 0 | 0 | 0 | 0 | 111.5 | D220 A221 Q226 Q227 I228 | D220-T224 WeakPolarHBondContact O-CB 3.34Å; D220-T224 WeakPolarHBondContact O-CG2 3.34Å; D220-T224 PolarHBondContact O-N 3.14Å; D220-T224 PolarHBondContact O-OG1 3.08Å; A221-T224 WeakPolarHBondContact CA-OG1 3.3Å; A221-T224 PolarHBondContact O-OG1 2.83Å; T224-Q226 PolarHBondContact O-N 3.42Å; T224-Q227 PolarHBondContact O-N 2.86Å; T224-I228 WeakPolarHBondContact O-CD1 3.36Å; T224-I228 VanDerWaalsContact O-CG1 3.22Å; T224-I228 WeakPolarHBondContact O-CG1 3.47Å; T224-I228 PolarHBondContact O-N 3.24Å |
| 225 | L | 88.1 | Confident | 79.1 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 176.7 | -162.8 | 69.8 | 0 | 0 | 0 | 112 | A221 V222 I228 A229 | A221-L225 WeakPolarHBondContact O-CB 3.48Å; A221-L225 PolarHBondContact O-N 3.42Å; V222-L225 PolarHBondContact O-N 3.26Å; L225-I228 PolarHBondContact O-N 3.5Å; L225-A229 WeakPolarHBondContact O-CB 3.31Å; L225-A229 PolarHBondContact O-N 3.03Å |
| 226 | Q | 87 | Confident | 79.9 | Confident | 118 Ų | 118 | 99.7 Ų | 99.7 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 175 | -176.1 | 63.3 | 35.3 | 0 | 0 | 111.5 | V222 C223 T224 A229 C230 | V222-Q226 WeakPolarHBondContact O-CB 3.26Å; V222-Q226 PolarHBondContact O-N 2.9Å; C223-Q226 PolarHBondContact O-N 3.31Å; T224-Q226 PolarHBondContact O-N 3.42Å; Q226-A229 PolarHBondContact O-N 3.14Å; Q226-C230 PolarHBondContact NE2-SG 3.26Å; Q226-C230 VanDerWaalsContact NE2-SG 3.44Å; Q226-C230 WeakPolarHBondContact O-CB 3.39Å; Q226-C230 PolarHBondContact O-N 3.1Å; Q226-C230 PolarHBondContact O-SG 3.41Å; Q226-C230 VanDerWaalsContact O-SG 3.32Å |
| 227 | Q | 87.4 | Confident | 80.1 | Confident | 130 Ų | 130 | 103.4 Ų | 103.4 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 175 | -77.6 | 175.1 | -3.3 | 0 | 0 | 111.8 | C223 T224 A229 C230 T231 | C223-Q227 WeakPolarHBondContact O-CB 3.4Å; C223-Q227 VanDerWaalsContact O-CG 3.3Å; C223-Q227 WeakPolarHBondContact O-CG 3.45Å; C223-Q227 PolarHBondContact O-N 3.18Å; T224-Q227 PolarHBondContact O-N 2.86Å; Q227-A229 PolarHBondContact O-N 3.32Å; Q227-C230 PolarHBondContact O-N 2.86Å; Q227-T231 WeakPolarHBondContact O-CB 3.44Å; Q227-T231 PolarHBondContact O-N 2.94Å; Q227-T231 PolarHBondContact O-OG1 3.49Å |
| 228 | I | 87.4 | Confident | 80.4 | Confident | 84 Ų | 84 | 102.7 Ų | 102.7 | 43% | 0.431 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 176.3 | -68.6 | 163.4 | 0 | 0 | 0 | 110.5 | T224 L225 T231 R232 | T224-I228 WeakPolarHBondContact O-CD1 3.36Å; T224-I228 VanDerWaalsContact O-CG1 3.22Å; T224-I228 WeakPolarHBondContact O-CG1 3.47Å; T224-I228 PolarHBondContact O-N 3.24Å; L225-I228 PolarHBondContact O-N 3.5Å; I228-T231 PolarHBondContact O-N 3.04Å; I228-R232 PolarHBondContact O-N 3.43Å |
| 229 | A | 87.8 | Confident | 79.9 | Confident | 43 Ų | 43 | 104 Ų | 104 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L225 Q226 Q227 T231 R232 I233 | L225-A229 WeakPolarHBondContact O-CB 3.31Å; L225-A229 PolarHBondContact O-N 3.03Å; Q226-A229 PolarHBondContact O-N 3.14Å; Q227-A229 PolarHBondContact O-N 3.32Å; A229-T231 PolarHBondContact O-N 3.01Å; A229-R232 PolarHBondContact O-N 3.42Å; A229-I233 WeakPolarHBondContact O-CG1 3.47Å; A229-I233 PolarHBondContact O-N 2.92Å; A229-I233 VanDerWaalsContact O-N 3.12Å |
| 230 | C | 87.7 | Confident | 79.3 | Confident | 55 Ų | 55 | 100.9 Ų | 100.9 | 37% | 0.372 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.5 | -36.5 | 175.8 | -74.5 | 0 | 0 | 0 | 0 | 112.4 | Q226 Q227 R234 | Q226-C230 PolarHBondContact NE2-SG 3.26Å; Q226-C230 VanDerWaalsContact NE2-SG 3.44Å; Q226-C230 WeakPolarHBondContact O-CB 3.39Å; Q226-C230 PolarHBondContact O-N 3.1Å; Q226-C230 PolarHBondContact O-SG 3.41Å; Q226-C230 VanDerWaalsContact O-SG 3.32Å; Q227-C230 PolarHBondContact O-N 2.86Å; C230-R234 WeakPolarHBondContact O-CG 3.45Å; C230-R234 PolarHBondContact O-N 3.29Å |
| 231 | T | 83.6 | Confident | 78.2 | Confident | 46 Ų | 46 | 100.7 Ų | 100.7 | 28% | 0.282 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.7 | -42.1 | -178.5 | -47.2 | 0 | 0 | 0 | 0 | 111.3 | Q227 I228 A229 I233 R234 Y235 | Q227-T231 WeakPolarHBondContact O-CB 3.44Å; Q227-T231 PolarHBondContact O-N 2.94Å; Q227-T231 PolarHBondContact O-OG1 3.49Å; I228-T231 PolarHBondContact O-N 3.04Å; A229-T231 PolarHBondContact O-N 3.01Å; T231-I233 PolarHBondContact O-N 3.26Å; T231-R234 PolarHBondContact O-N 3.39Å; T231-Y235 HydrophobicContact CG2-CD2 3.88Å; T231-Y235 HydrophobicContact CG2-CE2 3.47Å; T231-Y235 VanDerWaalsContact CG2-CE2 3.47Å; T231-Y235 WeakPolarHBondContact O-CD2 3.33Å; T231-Y235 PolarHBondContact O-N 2.67Å; T231-Y235 VanDerWaalsContact O-N 3.13Å |
| 232 | R | 83.8 | Confident | 77.2 | Confident | 185 Ų | 185 | 102.9 Ų | 102.9 | 70% | 0.698 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.6 | -41.1 | 174.9 | -74.3 | -179.3 | 176.9 | 164.4 | 0.4 | 112.9 | I228 A229 R234 Y235 A236 | I228-R232 PolarHBondContact O-N 3.43Å; A229-R232 PolarHBondContact O-N 3.42Å; R232-R234 VanDerWaalsContact C-N 3.33Å; R232-R234 PolarHBondContact O-N 3.41Å; R232-Y235 PolarHBondContact O-N 2.97Å; R232-A236 WeakPolarHBondContact O-CB 3.48Å; R232-A236 PolarHBondContact O-N 3.07Å |
| 233 | I | 82 | Confident | 75.9 | Confident | 119 Ų | 119 | 105.6 Ų | 105.6 | 61% | 0.61 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64 | -39.2 | 177.4 | -65.4 | 166.5 | 0 | 0 | 0 | 111 | A229 T231 K237 | A229-I233 WeakPolarHBondContact O-CG1 3.47Å; A229-I233 PolarHBondContact O-N 2.92Å; A229-I233 VanDerWaalsContact O-N 3.12Å; T231-I233 PolarHBondContact O-N 3.26Å; I233-K237 WeakPolarHBondContact O-CB 3.39Å; I233-K237 PolarHBondContact O-N 3.02Å; I233-K237 VanDerWaalsContact O-N 3.15Å |
| 234 | R | 76.3 | Confident | 74.5 | Confident | 171 Ų | 171 | 110.7 Ų | 110.7 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65 | -42.8 | 177.3 | -76 | -171.5 | -66.2 | 164.7 | -0 | 112.6 | C230 T231 R232 K237 A238 | C230-R234 WeakPolarHBondContact O-CG 3.45Å; C230-R234 PolarHBondContact O-N 3.29Å; T231-R234 PolarHBondContact O-N 3.39Å; R232-R234 VanDerWaalsContact C-N 3.33Å; R232-R234 PolarHBondContact O-N 3.41Å; R234-K237 PolarHBondContact O-N 2.94Å; R234-A238 PolarHBondContact O-N 3.15Å |
| 235 | Y | 75.1 | Confident | 72.9 | Confident | 156 Ų | 156 | 119 Ų | 119 | 61% | 0.612 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.2 | -40.7 | 177.2 | -73.4 | -66.3 | 0 | 0 | 0 | 112.3 | T231 R232 K237 A238 D239 | T231-Y235 HydrophobicContact CG2-CD2 3.88Å; T231-Y235 HydrophobicContact CG2-CE2 3.47Å; T231-Y235 VanDerWaalsContact CG2-CE2 3.47Å; T231-Y235 WeakPolarHBondContact O-CD2 3.33Å; T231-Y235 PolarHBondContact O-N 2.67Å; T231-Y235 VanDerWaalsContact O-N 3.13Å; R232-Y235 PolarHBondContact O-N 2.97Å; Y235-K237 PolarHBondContact O-N 3.32Å; Y235-A238 PolarHBondContact O-N 3.19Å; Y235-D239 PolarHBondContact O-N 2.93Å |
| 236 | A | 73.5 | Confident | 72.1 | Confident | 73 Ų | 73 | 118.9 Ų | 118.9 | 60% | 0.603 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -61.1 | -29.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R232 G240 | R232-A236 WeakPolarHBondContact O-CB 3.48Å; R232-A236 PolarHBondContact O-N 3.07Å; A236-G240 PolarHBondContact O-N 3.41Å |
| 237 | K | 67.6 | Low | 71.3 | Confident | 174 Ų | 174 | 118.9 Ų | 118.9 | 76% | 0.757 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -82.5 | -22.1 | 176.8 | -161.6 | 171.4 | -178 | 177.7 | 0 | 113.3 | I233 R234 Y235 | I233-K237 WeakPolarHBondContact O-CB 3.39Å; I233-K237 PolarHBondContact O-N 3.02Å; I233-K237 VanDerWaalsContact O-N 3.15Å; R234-K237 PolarHBondContact O-N 2.94Å; Y235-K237 PolarHBondContact O-N 3.32Å |
| 238 | A | 65.8 | Low | 70.4 | Confident | 59 Ų | 59 | 118.3 Ų | 118.3 | 49% | 0.488 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -83.2 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | R234 Y235 G240 | R234-A238 PolarHBondContact O-N 3.15Å; Y235-A238 PolarHBondContact O-N 3.19Å; A238-G240 VanDerWaalsContact C-N 3.34Å |
| 239 | D | 61.4 | Low | 69.4 | Low | 138 Ų | 138 | 120.4 Ų | 120.4 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.3 | -14.2 | 178.8 | -75 | -21.3 | 0 | 0 | 0 | 113.5 | Y235 | Y235-D239 PolarHBondContact O-N 2.93Å |
| 240 | G | 59.8 | Low | 68.3 | Low | 68 Ų | 68 | 125.2 Ų | 125.2 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A236 A238 | A236-G240 PolarHBondContact O-N 3.41Å; A238-G240 VanDerWaalsContact C-N 3.34Å |
| 241 | A | 56.9 | Low | 67 | Low | 84 Ų | 84 | 129.9 Ų | 129.9 | 69% | 0.694 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -110.2 | 5.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 242 | V | 58.7 | Low | 65.8 | Low | 106 Ų | 106 | 135.9 Ų | 135.9 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -122 | 111.3 | 176.8 | -168.6 | 0 | 0 | 0 | 0 | 105.6 | ||
| 243 | D | 56.5 | Low | 64.4 | Low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 129 | 42.7 | 170.3 | -62.8 | -16.4 | 0 | 0 | 0 | 115.8 | ||
| 244 | N | 51.8 | Low | 63 | Low | 176 Ų | 176 | 133.2 Ų | 133.2 | 94% | 0.941 | 74% | 0.744 | S | S | * | * | trans | -148.7 | 75.4 | 155.4 | -87.2 | -73.1 | 0 | 0 | 0 | 110.4 | ||||
| 245 | D | 52 | Low | 61.7 | Low | 245 Ų | 245 | 129.7 Ų | 129.7 | 100% | 1.31 | 75% | 0.753 | S | S | * | * | trans | -157.3 | 0 | 149.2 | -139.5 | 4.3 | 0 | 0 | 0 | 109.4 |
Retrieved 245 of 245 residues in 40.5 ms
(Link to these results)