| 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 | 44.7 | Very low | 69.7 | Low | 234 Ų | 234 | 133.7 Ų | 133.7 | 100% | 1.153 | 69% | 0.688 | S | S | * | * | 0 | 96.6 | 0 | -66.1 | -174.4 | -160.6 | 0 | 0 | 107.7 | K3 | M1-K3 PolarHBondContact O-N 3Š| |||
| 2 | E | 56.3 | Low | 71.5 | Confident | 184 Ų | 184 | 127.3 Ų | 127.3 | 86% | 0.86 | 67% | 0.669 | S | S | * | * | trans | -72.8 | 116.7 | 179.8 | -64.1 | -178.4 | 162.2 | 0 | 0 | 108.9 | N4 | E2-N4 PolarHBondContact O-N 2.72Š| ||
| 3 | K | 60.4 | Low | 73.1 | Confident | 196 Ų | 196 | 125 Ų | 125 | 85% | 0.852 | 66% | 0.657 | S | S | * | * | trans | -82.3 | 100.7 | 176.4 | -68.1 | 179.7 | -177.8 | 175.9 | 0 | 107.7 | M1 V5 | M1-K3 PolarHBondContact O-N 3Å; K3-V5 PolarHBondContact O-N 3.25Å | ||
| 4 | N | 59.7 | Low | 74.5 | Confident | 120 Ų | 120 | 125.9 Ų | 125.9 | 64% | 0.642 | 65% | 0.653 | S | S | * | * | trans | -54.5 | 101.9 | 176.2 | -76.6 | -5.1 | 0 | 0 | 0 | 110.9 | E2 G6 S7 | E2-N4 PolarHBondContact O-N 2.72Å; N4-G6 PolarHBondContact O-N 3.24Å; N4-S7 WeakPolarHBondContact O-CB 3.35Å; N4-S7 PolarHBondContact O-N 2.66Å; N4-S7 PolarHBondContact O-OG 3.39Å | ||
| 5 | V | 62.2 | Low | 75.7 | Confident | 127 Ų | 127 | 128.9 Ų | 128.9 | 77% | 0.77 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -55.4 | -22.4 | 179 | -70.4 | 0 | 0 | 0 | 0 | 113.8 | K3 S7 | K3-V5 PolarHBondContact O-N 3.25Å; V5-S7 PolarHBondContact O-N 3.48Å |
| 6 | G | 69.3 | Low | 76.9 | Confident | 41 Ų | 41 | 130.4 Ų | 130.4 | 42% | 0.423 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.6 | -33.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N4 L8 Q9 E10 | N4-G6 PolarHBondContact O-N 3.24Å; G6-L8 VanDerWaalsContact C-N 3.33Å; G6-L8 PolarHBondContact O-N 3.24Å; G6-Q9 PolarHBondContact O-N 3.18Å; G6-E10 PolarHBondContact O-N 2.96Å |
| 7 | S | 74.7 | Confident | 77.9 | Confident | 61 Ų | 61 | 130.7 Ų | 130.7 | 43% | 0.427 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.1 | -31.7 | -179.6 | 67.2 | 0 | 0 | 0 | 0 | 113.1 | N4 V5 Q11 | N4-S7 WeakPolarHBondContact O-CB 3.35Å; N4-S7 PolarHBondContact O-N 2.66Å; N4-S7 PolarHBondContact O-OG 3.39Å; V5-S7 PolarHBondContact O-N 3.48Å; S7-Q11 WeakPolarHBondContact O-CG 3.29Å; S7-Q11 PolarHBondContact O-N 3.49Å |
| 8 | L | 79.7 | Confident | 78.8 | Confident | 123 Ų | 123 | 134.1 Ų | 134.1 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.2 | -39.4 | 178.3 | -161.4 | 106.1 | 0 | 0 | 0 | 111.1 | G6 Q11 A12 | G6-L8 VanDerWaalsContact C-N 3.33Å; G6-L8 PolarHBondContact O-N 3.24Å; L8-Q11 PolarHBondContact O-N 3.28Å; L8-A12 PolarHBondContact O-N 3.1Å |
| 9 | Q | 84.6 | Confident | 79.5 | Confident | 134 Ų | 134 | 131.7 Ų | 131.7 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.8 | -44.9 | 177.7 | -158.8 | 82.1 | -9.7 | 0 | 0 | 111.1 | G6 A12 L13 | G6-Q9 PolarHBondContact O-N 3.18Å; Q9-A12 PolarHBondContact O-N 3.47Å; Q9-L13 WeakPolarHBondContact O-CG 3.43Å; Q9-L13 PolarHBondContact O-N 2.75Å; Q9-L13 VanDerWaalsContact O-N 3.11Å |
| 10 | E | 87.1 | Confident | 80.2 | Confident | 118 Ų | 118 | 132.1 Ų | 132.1 | 55% | 0.551 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.3 | -41.1 | 176.3 | -73.6 | 179.1 | -169.2 | 0 | 0 | 112.5 | G6 A12 L13 K14 | G6-E10 PolarHBondContact O-N 2.96Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 3.42Å; E10-L13 PolarHBondContact O-N 3.33Å; E10-K14 WeakPolarHBondContact O-CG 3.4Å; E10-K14 PolarHBondContact O-N 3.06Å |
| 11 | Q | 88.3 | Confident | 80.7 | Confident | 133 Ų | 133 | 128.7 Ų | 128.7 | 62% | 0.621 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.1 | -37.4 | 176.2 | -74.6 | -179.8 | 8.2 | 0 | 0 | 112.2 | S7 L8 K14 R15 | S7-Q11 WeakPolarHBondContact O-CG 3.29Å; S7-Q11 PolarHBondContact O-N 3.49Å; L8-Q11 PolarHBondContact O-N 3.28Å; Q11-K14 PolarHBondContact O-N 3.11Å; Q11-R15 PolarHBondContact O-N 3.22Å |
| 12 | A | 91.3 | Very high | 82.8 | Confident | 56 Ų | 56 | 122.5 Ų | 122.5 | 46% | 0.463 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.5 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L8 Q9 E10 R15 K16 | L8-A12 PolarHBondContact O-N 3.1Å; Q9-A12 PolarHBondContact O-N 3.47Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 3.42Å; A12-R15 PolarHBondContact O-N 3.16Å; A12-K16 WeakPolarHBondContact O-CB 3.49Å; A12-K16 PolarHBondContact O-N 3.04Å |
| 13 | L | 92.3 | Very high | 84.3 | Confident | 98 Ų | 98 | 123.1 Ų | 123.1 | 51% | 0.513 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.6 | -46.7 | 175.8 | -68.8 | 176.2 | 0 | 0 | 0 | 111.8 | Q9 E10 R15 K16 E17 | Q9-L13 WeakPolarHBondContact O-CG 3.43Å; Q9-L13 PolarHBondContact O-N 2.75Å; Q9-L13 VanDerWaalsContact O-N 3.11Å; E10-L13 PolarHBondContact O-N 3.33Å; L13-R15 VanDerWaalsContact C-N 3.28Å; L13-R15 PolarHBondContact O-N 3.15Å; L13-K16 WeakPolarHBondContact O-CB 3.22Å; L13-K16 PolarHBondContact O-N 3.22Å; L13-K16 VanDerWaalsContact O-N 3.08Å; L13-E17 PolarHBondContact O-N 3.46Å |
| 14 | K | 92.7 | Very high | 85.6 | Confident | 137 Ų | 137 | 117 Ų | 117 | 60% | 0.596 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -57.8 | -39.9 | 175.5 | -72.1 | 176.3 | -176 | 174.1 | 0 | 112.3 | E10 Q11 R18 | E10-K14 WeakPolarHBondContact O-CG 3.4Å; E10-K14 PolarHBondContact O-N 3.06Å; Q11-K14 PolarHBondContact O-N 3.11Å; K14-R18 WeakPolarHBondContact O-CB 3.5Å; K14-R18 PolarHBondContact O-N 3.04Å; K14-R18 VanDerWaalsContact O-N 3.13Å |
| 15 | R | 92.3 | Very high | 86.7 | Confident | 172 Ų | 172 | 119.2 Ų | 119.2 | 65% | 0.649 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.4 | -43.6 | 175.1 | -177.2 | 178.9 | 176.8 | 88.2 | -0.4 | 111.7 | Q11 A12 L13 R18 L19 | Q11-R15 PolarHBondContact O-N 3.22Å; A12-R15 PolarHBondContact O-N 3.16Å; L13-R15 VanDerWaalsContact C-N 3.28Å; L13-R15 PolarHBondContact O-N 3.15Å; R15-R18 PolarHBondContact O-N 3.07Å; R15-L19 HydrophobicContact CG-CD1 4.12Å; R15-L19 HydrophobicContact CG-CG 4.48Å; R15-L19 WeakPolarHBondContact O-CG 3.42Å; R15-L19 PolarHBondContact O-N 3.04Å |
| 16 | K | 94.9 | Very high | 87.8 | Confident | 153 Ų | 153 | 120.9 Ų | 120.9 | 67% | 0.665 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.2 | -45.2 | 179.2 | -176.5 | -179.5 | 177.3 | -177.7 | 0 | 111.5 | A12 L13 L19 K20 | A12-K16 WeakPolarHBondContact O-CB 3.49Å; A12-K16 PolarHBondContact O-N 3.04Å; L13-K16 WeakPolarHBondContact O-CB 3.22Å; L13-K16 PolarHBondContact O-N 3.22Å; L13-K16 VanDerWaalsContact O-N 3.08Å; K16-L19 PolarHBondContact O-N 3.24Å; K16-K20 PolarHBondContact O-N 3.31Å |
| 17 | E | 94.3 | Very high | 88.2 | Confident | 135 Ų | 135 | 123.8 Ų | 123.8 | 63% | 0.631 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.9 | -46 | 177.2 | -70.8 | 173.8 | 174.6 | 0 | 0 | 111.9 | L13 L19 K20 A21 | L13-E17 PolarHBondContact O-N 3.46Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.94Å; E17-K20 WeakPolarHBondContact O-CB 3.47Å; E17-K20 PolarHBondContact O-N 3.13Å; E17-K20 VanDerWaalsContact O-N 3.16Å; E17-A21 PolarHBondContact O-N 3.19Å |
| 18 | R | 93.4 | Very high | 87.8 | Confident | 191 Ų | 191 | 126.7 Ų | 126.7 | 72% | 0.721 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.3 | -41.7 | 177 | -173.7 | 176.7 | -179.7 | 153.9 | 0.5 | 112.5 | K14 R15 L22 | K14-R18 WeakPolarHBondContact O-CB 3.5Å; K14-R18 PolarHBondContact O-N 3.04Å; K14-R18 VanDerWaalsContact O-N 3.13Å; R15-R18 PolarHBondContact O-N 3.07Å; R18-L22 PolarHBondContact O-N 3.27Å |
| 19 | L | 93 | Very high | 87.2 | Confident | 90 Ų | 90 | 122.7 Ų | 122.7 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.6 | -35.2 | 177.6 | -72.7 | 175.2 | 0 | 0 | 0 | 112.3 | R15 K16 E17 L22 R23 | R15-L19 HydrophobicContact CG-CD1 4.12Å; R15-L19 HydrophobicContact CG-CG 4.48Å; R15-L19 WeakPolarHBondContact O-CG 3.42Å; R15-L19 PolarHBondContact O-N 3.04Å; K16-L19 PolarHBondContact O-N 3.24Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.94Å; L19-L22 PolarHBondContact O-N 3.04Å; L19-R23 PolarHBondContact O-N 3.36Å; L19-R23 VanDerWaalsContact O-N 3.13Å |
| 20 | K | 93.4 | Very high | 86.1 | Confident | 139 Ų | 139 | 125.1 Ų | 125.1 | 60% | 0.604 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.5 | -47.6 | 175.1 | -171.7 | 179.6 | 174.2 | -174.3 | 0 | 111.1 | K16 E17 L22 R23 D24 | K16-K20 PolarHBondContact O-N 3.31Å; E17-K20 WeakPolarHBondContact O-CB 3.47Å; E17-K20 PolarHBondContact O-N 3.13Å; E17-K20 VanDerWaalsContact O-N 3.16Å; K20-L22 VanDerWaalsContact C-N 3.29Å; K20-L22 PolarHBondContact O-N 3.23Å; K20-R23 WeakPolarHBondContact O-CB 3.45Å; K20-R23 PolarHBondContact O-N 3.13Å; K20-D24 PolarHBondContact O-N 2.93Å |
| 21 | A | 91 | Very high | 84.6 | Confident | 61 Ų | 61 | 126.5 Ų | 126.5 | 50% | 0.504 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.4 | -37.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E17 K25 | E17-A21 PolarHBondContact O-N 3.19Å; A21-K25 WeakPolarHBondContact O-CB 3.49Å; A21-K25 PolarHBondContact O-N 3.28Å |
| 22 | L | 87.3 | Confident | 83 | Confident | 104 Ų | 104 | 128.5 Ų | 128.5 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.8 | -37.1 | 174.7 | -75.1 | 173.5 | 0 | 0 | 0 | 112.7 | R18 L19 K20 K26 | R18-L22 PolarHBondContact O-N 3.27Å; L19-L22 PolarHBondContact O-N 3.04Å; K20-L22 VanDerWaalsContact C-N 3.29Å; K20-L22 PolarHBondContact O-N 3.23Å; L22-K26 PolarHBondContact O-N 3.38Å; L22-K26 VanDerWaalsContact O-N 3.16Å |
| 23 | R | 88.9 | Confident | 81 | Confident | 196 Ų | 196 | 133.6 Ų | 133.6 | 74% | 0.74 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65 | -47.3 | 174.9 | -105.1 | -172.9 | 168.2 | 129.8 | -2.7 | 111.3 | L19 K20 K25 K26 L27 | L19-R23 PolarHBondContact O-N 3.36Å; L19-R23 VanDerWaalsContact O-N 3.13Å; K20-R23 WeakPolarHBondContact O-CB 3.45Å; K20-R23 PolarHBondContact O-N 3.13Å; R23-K25 VanDerWaalsContact C-N 3.34Å; R23-K25 PolarHBondContact O-N 3.13Å; R23-K26 PolarHBondContact O-N 3.16Å; R23-K26 VanDerWaalsContact O-N 3.15Å; R23-L27 PolarHBondContact O-N 3.37Å; R23-L27 VanDerWaalsContact O-N 3.07Å |
| 24 | D | 87.3 | Confident | 79 | Confident | 67 Ų | 67 | 135.8 Ų | 135.8 | 36% | 0.358 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.5 | -43.9 | -179.1 | -62.3 | -18.6 | 0 | 0 | 0 | 110.1 | K20 K26 L27 H28 | K20-D24 PolarHBondContact O-N 2.93Å; D24-K26 VanDerWaalsContact C-N 3.31Å; D24-K26 PolarHBondContact O-N 3.48Å; D24-L27 PolarHBondContact O-N 3.46Å; D24-H28 PolarHBondContact O-N 3.25Å; D24-H28 PolarHBondContact O-ND1 3.03Å |
| 25 | K | 83.9 | Confident | 76.7 | Confident | 168 Ų | 168 | 138.6 Ų | 138.6 | 73% | 0.73 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -60.2 | -37 | 175 | -171.6 | 173.7 | -178.3 | 177.8 | 0 | 113.3 | A21 R23 G29 | A21-K25 WeakPolarHBondContact O-CB 3.49Å; A21-K25 PolarHBondContact O-N 3.28Å; R23-K25 VanDerWaalsContact C-N 3.34Å; R23-K25 PolarHBondContact O-N 3.13Å; K25-G29 PolarHBondContact O-N 3Å; K25-G29 VanDerWaalsContact O-N 3.1Å |
| 26 | K | 85.4 | Confident | 74.6 | Confident | 162 Ų | 162 | 139.8 Ų | 139.8 | 70% | 0.704 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.8 | -34.3 | 178.6 | -171.7 | 176.5 | -179 | -178.8 | 0 | 112.5 | L22 R23 D24 R30 | L22-K26 PolarHBondContact O-N 3.38Å; L22-K26 VanDerWaalsContact O-N 3.16Å; R23-K26 PolarHBondContact O-N 3.16Å; R23-K26 VanDerWaalsContact O-N 3.15Å; D24-K26 VanDerWaalsContact C-N 3.31Å; D24-K26 PolarHBondContact O-N 3.48Å; K26-R30 PolarHBondContact O-N 2.99Å |
| 27 | L | 75.6 | Confident | 72.3 | Confident | 102 Ų | 102 | 138.1 Ų | 138.1 | 53% | 0.534 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -70.6 | -48.9 | 177 | -73.5 | 165.9 | 0 | 0 | 0 | 111.1 | R23 D24 G29 R30 E31 | R23-L27 PolarHBondContact O-N 3.37Å; R23-L27 VanDerWaalsContact O-N 3.07Å; D24-L27 PolarHBondContact O-N 3.46Å; L27-G29 VanDerWaalsContact C-N 3.25Å; L27-G29 PolarHBondContact O-N 3.4Å; L27-R30 PolarHBondContact O-N 2.79Å; L27-E31 PolarHBondContact O-N 3.35Å |
| 28 | H | 68.3 | Low | 70.1 | Confident | 121 Ų | 121 | 141.4 Ų | 141.4 | 56% | 0.56 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -64.4 | -30 | 178.2 | -68 | 77.6 | 0 | 0 | 0 | 112.7 | D24 R30 | D24-H28 PolarHBondContact O-N 3.25Å; D24-H28 PolarHBondContact O-ND1 3.03Å; H28-R30 VanDerWaalsContact C-N 3.27Å; H28-R30 PolarHBondContact O-N 3.15Å |
| 29 | G | 65.6 | Low | 67.8 | Low | 40 Ų | 40 | 137.4 Ų | 137.4 | 41% | 0.412 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | -17.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K25 L27 | K25-G29 PolarHBondContact O-N 3Å; K25-G29 VanDerWaalsContact O-N 3.1Å; L27-G29 VanDerWaalsContact C-N 3.25Å; L27-G29 PolarHBondContact O-N 3.4Å |
| 30 | R | 62 | Low | 65.6 | Low | 185 Ų | 185 | 143.1 Ų | 143.1 | 70% | 0.698 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -25.5 | 179.1 | -171.8 | 159.7 | 174.6 | 147.6 | -4 | 112.7 | K26 L27 H28 Q32 | K26-R30 PolarHBondContact O-N 2.99Å; L27-R30 PolarHBondContact O-N 2.79Å; H28-R30 VanDerWaalsContact C-N 3.27Å; H28-R30 PolarHBondContact O-N 3.15Å; R30-Q32 PolarHBondContact O-N 3.04Å |
| 31 | E | 54.7 | Low | 63 | Low | 147 Ų | 147 | 146.5 Ų | 146.5 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -10.3 | 175.6 | -69.5 | 174.5 | 175.1 | 0 | 0 | 113.4 | L27 | L27-E31 PolarHBondContact O-N 3.35Š|
| 32 | Q | 54.5 | Low | 60.9 | Low | 175 Ų | 175 | 148.5 Ų | 148.5 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -3.4 | 177.6 | -70.9 | -175.7 | -6.2 | 0 | 0 | 114.5 | R30 | R30-Q32 PolarHBondContact O-N 3.04Š|
| 33 | E | 51.1 | Low | 58.6 | Low | 162 Ų | 162 | 148.7 Ų | 148.7 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -110 | 1.1 | -173.5 | -72.4 | -175.3 | 164.8 | 0 | 0 | 115.1 | E35 | E33-E35 PolarHBondContact O-N 3.08Š|
| 34 | D | 48.5 | Very low | 56.7 | Low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -99.6 | 73.5 | 179.7 | -72 | -35.1 | 0 | 0 | 0 | 112.3 | ||||
| 35 | E | 46.3 | Very low | 54.5 | Low | 196 Ų | 196 | 152 Ų | 152 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -124.8 | 110.7 | 158.6 | -88.5 | -171.9 | 166.7 | 0 | 0 | 109.4 | E33 | E33-E35 PolarHBondContact O-N 3.08Š| ||
| 36 | E | 47.6 | Very low | 52.6 | Low | 197 Ų | 197 | 152.6 Ų | 152.6 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -76.5 | 143.1 | 176.8 | -78.3 | -171.2 | 143.6 | 0 | 0 | 112.6 | ||||
| 37 | P | 45.7 | Very low | 50.7 | Low | 118 Ų | 118 | 151.6 Ų | 151.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -94.9 | 127.9 | 173.2 | 33.5 | -29.5 | 0 | 0 | 0 | 113.9 | S39 | P37-S39 PolarHBondContact O-N 3.3Š| ||
| 38 | E | 49.5 | Very low | 49.3 | Very low | 205 Ų | 205 | 151.1 Ų | 151.1 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 101.7 | 169.3 | -69.2 | -169.1 | 149 | 0 | 0 | 111.8 | ||||
| 39 | S | 43.5 | Very low | 48.7 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -134.6 | 68 | 171.2 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | P37 | P37-S39 PolarHBondContact O-N 3.3Š| ||
| 40 | K | 46.4 | Very low | 48.3 | Very low | 209 Ų | 209 | 159 Ų | 159 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -143.4 | 82.2 | 165.6 | -74 | -174.4 | -177.8 | 171 | 0 | 111.4 | ||||
| 41 | K | 40.4 | Very low | 48.1 | Very low | 211 Ų | 211 | 160.1 Ų | 160.1 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | trans | -129.6 | 116.7 | 150.4 | -72.8 | -170.1 | -174.2 | 178.5 | 0 | 108.8 | ||||
| 42 | A | 46 | Very low | 48.5 | Very low | 103 Ų | 103 | 160.6 Ų | 160.6 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | -68.6 | 132.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 43 | A | 39.6 | Very low | 49.2 | Very low | 107 Ų | 107 | 163.9 Ų | 163.9 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | trans | -107.6 | 109.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 44 | L | 48.1 | Very low | 50.3 | Low | 160 Ų | 160 | 163.8 Ų | 163.8 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | trans | -97.9 | 138.4 | 169.3 | -150 | 88 | 0 | 0 | 0 | 106.6 | ||||
| 45 | E | 42.7 | Very low | 51.6 | Low | 173 Ų | 173 | 161.4 Ų | 161.4 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | trans | 113.8 | 135.2 | 164 | -60.3 | -160.4 | 155 | 0 | 0 | 119 | ||||
| 46 | E | 42.3 | Very low | 53.2 | Low | 180 Ų | 180 | 158.6 Ų | 158.6 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | 89 | 105 | 166 | -54.1 | -162 | 156.5 | 0 | 0 | 119.3 | P48 | E46-P48 WeakPolarHBondContact O-CD 3.42Š| ||
| 47 | T | 47 | Very low | 54.8 | Low | 141 Ų | 141 | 150.4 Ų | 150.4 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | trans | -66.9 | 118.7 | 170 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 48 | P | 45.1 | Very low | 56.5 | Low | 92 Ų | 92 | 153.9 Ų | 153.9 | 60% | 0.597 | 76% | 0.761 | S | S | * | * | trans | -85.2 | 147.7 | 148 | 22.6 | -6.5 | 0 | 0 | 0 | 108.4 | E46 E50 | E46-P48 WeakPolarHBondContact O-CD 3.42Å; P48-E50 HydrophobicContact CG-CG 4.14Å; P48-E50 PolarHBondContact O-N 3.39Å | ||
| 49 | E | 55.7 | Low | 58 | Low | 198 Ų | 198 | 152 Ų | 152 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -62.9 | 82.5 | 162 | -68.6 | -177.5 | 162.3 | 0 | 0 | 108.4 | K51 | E49-K51 PolarHBondContact O-N 3.02Š| ||
| 50 | E | 57.1 | Low | 59.8 | Low | 130 Ų | 130 | 153.9 Ų | 153.9 | 61% | 0.607 | 75% | 0.75 | S | S | * | * | trans | -65.7 | 105.6 | 168.5 | -67.7 | -172.1 | 170.1 | 0 | 0 | 105.8 | P48 H52 | P48-E50 HydrophobicContact CG-CG 4.14Å; P48-E50 PolarHBondContact O-N 3.39Å; E50-H52 PolarHBondContact O-CD2 3.48Å; E50-H52 PolarHBondContact O-N 3.08Å | ||
| 51 | K | 59 | Low | 61.4 | Low | 208 Ų | 208 | 148 Ų | 148 | 90% | 0.904 | 73% | 0.731 | S | S | * | * | trans | -57.5 | 88.6 | 161.9 | -70.1 | 179.5 | -179 | 179.9 | 0 | 106.6 | E49 R53 | E49-K51 PolarHBondContact O-N 3.02Å; K51-R53 PolarHBondContact O-N 3.05Å | ||
| 52 | H | 61.8 | Low | 63.4 | Low | 156 Ų | 156 | 138.2 Ų | 138.2 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | trans | -53.6 | 130.5 | 177.8 | -69.9 | -67.2 | 0 | 0 | 0 | 106.9 | E50 E54 | E50-H52 PolarHBondContact O-CD2 3.48Å; E50-H52 PolarHBondContact O-N 3.08Å; H52-E54 PolarHBondContact O-N 2.99Å | ||
| 53 | R | 69.9 | Low | 64.9 | Low | 244 Ų | 244 | 141.7 Ų | 141.7 | 92% | 0.921 | 69% | 0.688 | S | S | * | * | trans | -43.5 | 129.9 | 179.7 | -69 | 174.7 | 171 | 178.8 | -3 | 109.4 | K51 L55 | K51-R53 PolarHBondContact O-N 3.05Å; R53-L55 PolarHBondContact O-N 3.39Å | ||
| 54 | E | 73.1 | Confident | 66.8 | Low | 161 Ų | 161 | 141.8 Ų | 141.8 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | trans | -45.5 | 125.5 | -178.5 | -65.9 | 169.1 | 176.8 | 0 | 0 | 111.2 | H52 K56 | H52-E54 PolarHBondContact O-N 2.99Å; E54-K56 PolarHBondContact O-N 3.11Å; E54-K56 VanDerWaalsContact O-N 3.11Å | ||
| 55 | L | 76.4 | Confident | 68 | Low | 93 Ų | 93 | 141.8 Ų | 141.8 | 49% | 0.487 | 67% | 0.669 | S | S | . | * | trans | -63.1 | 110.4 | -177.4 | 179.2 | 66.9 | 0 | 0 | 0 | 109.8 | R53 L57 L67 R70 | R53-L55 PolarHBondContact O-N 3.39Å; L55-L57 HydrophobicContact CD1-CD2 4.21Å; L55-L57 HydrophobicContact CD2-CD2 4.2Å; L55-L57 HydrophobicContact CG-CD2 4.05Å; L55-L57 HydrophobicContact CG-CG 4.35Å; L55-L67 HydrophobicContact CD2-CD2 4.3Å; L55-R70 VanDerWaalsContact O-CB 3.29Å; L55-R70 WeakPolarHBondContact O-CB 3.33Å | ||
| 56 | K | 80.3 | Confident | 69.6 | Low | 137 Ų | 137 | 140.8 Ų | 140.8 | 60% | 0.596 | 66% | 0.664 | S | S | * | * | trans | -105.6 | 111.9 | 177.6 | -71.3 | 179.3 | -172.9 | 180 | 0 | 110.5 | E54 R58 V72 | E54-K56 PolarHBondContact O-N 3.11Å; E54-K56 VanDerWaalsContact O-N 3.11Å; K56-R58 PolarHBondContact O-N 3.29Å; K56-V72 HydrophobicContact CB-CG2 3.82Å; K56-V72 HydrophobicContact CG-CG2 4.37Å | ||
| 57 | L | 81.2 | Confident | 71.1 | Confident | 25 Ų | 25 | 134.6 Ų | 134.6 | 13% | 0.131 | 64% | 0.637 | C | S | . | * | B | Isolated β-bridge | trans | -89.2 | 109.9 | -177.6 | -59.9 | 172.7 | 0 | 0 | 0 | 109.8 | L55 Y60 P62 L67 R70 Q71 V72 | L55-L57 HydrophobicContact CD1-CD2 4.21Å; L55-L57 HydrophobicContact CD2-CD2 4.2Å; L55-L57 HydrophobicContact CG-CD2 4.05Å; L55-L57 HydrophobicContact CG-CG 4.35Å; L57-Y60 HydrophobicContact CD1-CD1 4.42Å; L57-P62 HydrophobicContact CD1-CB 4.25Å; L57-P62 HydrophobicContact CD1-CG 3.62Å; L57-L67 HydrophobicContact CD1-CB 4.38Å; L57-R70 PolarHBondContact N-O 3.5Å; L57-R70 VanDerWaalsContact N-O 3.13Å; L57-Q71 WeakPolarHBondContact O-CA 3.49Å; L57-Q71 WeakPolarHBondContact O-CG 3.41Å; L57-V72 PolarHBondContact O-N 3.5Å |
| 58 | R | 81.9 | Confident | 72.3 | Confident | 192 Ų | 192 | 132.4 Ų | 132.4 | 73% | 0.725 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -99.7 | -33.9 | -178.7 | -58.3 | 179.1 | 90.5 | 113.8 | -0.8 | 113.2 | K56 V72 | K56-R58 PolarHBondContact O-N 3.29Å; R58-V72 HydrophobicContact CG-CB 4.08Å; R58-V72 HydrophobicContact CG-CG2 3.79Å |
| 59 | N | 80.8 | Confident | 73.7 | Confident | 165 Ų | 165 | 136.4 Ų | 136.4 | 88% | 0.882 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -112.3 | -19.2 | -175.2 | -163.9 | -54.1 | 0 | 0 | 0 | 112.9 | ||
| 60 | Y | 81.7 | Confident | 74.5 | Confident | 147 Ų | 147 | 133 Ų | 133 | 58% | 0.576 | 61% | 0.605 | S | S | * | * | trans | -106.4 | 143.5 | -177.4 | -173.9 | -111 | 0 | 0 | 0 | 111.8 | L57 P62 Q71 | L57-Y60 HydrophobicContact CD1-CD1 4.42Å; Y60-P62 HydrophobicContact CD1-CB 4.28Å; Y60-P62 HydrophobicContact CE1-CB 3.92Å; Y60-Q71 PolarHBondContact O-NE2 3.07Å | ||
| 61 | T | 78.5 | Confident | 75.5 | Confident | 86 Ų | 86 | 130 Ų | 130 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | trans | -114.2 | 104.7 | 173 | -46.8 | 0 | 0 | 0 | 0 | 108.1 | Q71 | T61-Q71 PolarHBondContact OG1-NE2 3.48Å; T61-Q71 VanDerWaalsContact OG1-NE2 3.08Å | ||
| 62 | P | 83 | Confident | 76.4 | Confident | 5 Ų | 5 | 121.9 Ų | 121.9 | 3% | 0.032 | 56% | 0.558 | C | S | . | * | trans | -74.9 | 153.1 | -178.5 | 31.4 | -34.3 | 0 | 0 | 0 | 111.5 | L57 Y60 L67 K68 | L57-P62 HydrophobicContact CD1-CB 4.25Å; L57-P62 HydrophobicContact CD1-CG 3.62Å; Y60-P62 HydrophobicContact CD1-CB 4.28Å; Y60-P62 HydrophobicContact CE1-CB 3.92Å; P62-L67 HydrophobicContact CB-CB 3.67Å; P62-L67 HydrophobicContact CB-CD1 4.29Å; P62-L67 VanDerWaalsContact CG-C 3.43Å; P62-L67 HydrophobicContact CG-CB 3.5Å; P62-L67 WeakPolarHBondContact CG-O 3.03Å; P62-K68 HydrophobicContact CG-CG 4.15Å; P62-K68 WeakPolarHBondContact O-CE 3.39Å; P62-K68 WeakPolarHBondContact O-CG 3.37Å | ||
| 63 | E | 76.8 | Confident | 77.1 | Confident | 176 Ų | 176 | 119.9 Ų | 119.9 | 82% | 0.822 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -79.6 | -31.6 | 175.1 | -66.6 | -174.6 | 169.7 | 0 | 0 | 112.1 | K68 | E63-K68 WeakPolarHBondContact O-CE 3.49Å; E63-K68 PolarHBondContact O-NZ 3.37Å |
| 64 | D | 80.5 | Confident | 77.3 | Confident | 109 Ų | 109 | 116.9 Ų | 116.9 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -69.3 | 136.9 | 178.1 | -63.4 | -43.1 | 0 | 0 | 0 | 113.1 | L67 K68 | D64-L67 HydrophobicContact CB-CB 4.49Å; D64-L67 HydrophobicContact CB-CD1 4.29Å; D64-L67 HydrophobicContact CB-CG 4.42Å; D64-L67 PolarHBondContact O-N 2.99Å; D64-K68 WeakPolarHBondContact O-CG 3.1Å; D64-K68 PolarHBondContact O-N 3.36Å |
| 65 | E | 73.6 | Confident | 77.2 | Confident | 160 Ų | 160 | 113.8 Ų | 113.8 | 75% | 0.748 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.2 | -39.7 | -174.5 | -62.1 | -172.6 | 157.9 | 0 | 0 | 113.1 | L67 K68 | E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 3.24Å; E65-K68 PolarHBondContact O-N 3.22Å |
| 66 | E | 75.3 | Confident | 77 | Confident | 151 Ų | 151 | 118.7 Ų | 118.7 | 71% | 0.706 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.6 | -29 | 179.2 | -60.6 | -174.3 | 171.6 | 0 | 0 | 113.4 | ||
| 67 | L | 74.3 | Confident | 76.4 | Confident | 50 Ų | 50 | 118 Ų | 118 | 26% | 0.262 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -86.9 | -22.8 | 179.8 | -64.7 | 178 | 0 | 0 | 0 | 112 | L55 L57 P62 D64 E65 R70 | L55-L67 HydrophobicContact CD2-CD2 4.3Å; L57-L67 HydrophobicContact CD1-CB 4.38Å; P62-L67 HydrophobicContact CB-CB 3.67Å; P62-L67 HydrophobicContact CB-CD1 4.29Å; P62-L67 VanDerWaalsContact CG-C 3.43Å; P62-L67 HydrophobicContact CG-CB 3.5Å; P62-L67 WeakPolarHBondContact CG-O 3.03Å; D64-L67 HydrophobicContact CB-CB 4.49Å; D64-L67 HydrophobicContact CB-CD1 4.29Å; D64-L67 HydrophobicContact CB-CG 4.42Å; D64-L67 PolarHBondContact O-N 2.99Å; E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 3.24Å; L67-R70 PolarHBondContact O-N 3.41Å |
| 68 | K | 73.3 | Confident | 75.7 | Confident | 96 Ų | 96 | 120.6 Ų | 120.6 | 42% | 0.417 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.1 | -37.8 | 174.1 | -75.3 | 172.9 | -167.5 | 158.8 | 0 | 112 | P62 E63 D64 E65 R70 Q71 | P62-K68 HydrophobicContact CG-CG 4.15Å; P62-K68 WeakPolarHBondContact O-CE 3.39Å; P62-K68 WeakPolarHBondContact O-CG 3.37Å; E63-K68 WeakPolarHBondContact O-CE 3.49Å; E63-K68 PolarHBondContact O-NZ 3.37Å; D64-K68 WeakPolarHBondContact O-CG 3.1Å; D64-K68 PolarHBondContact O-N 3.36Å; E65-K68 PolarHBondContact O-N 3.22Å; K68-R70 PolarHBondContact O-N 2.97Å; K68-Q71 VanDerWaalsContact O-CB 3.22Å; K68-Q71 WeakPolarHBondContact O-CB 3.46Å; K68-Q71 PolarHBondContact O-N 3.19Å |
| 69 | E | 73.9 | Confident | 75.2 | Confident | 175 Ų | 175 | 114.1 Ų | 114.1 | 82% | 0.818 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -24.3 | 176 | -64.1 | -171.9 | 167.2 | 0 | 0 | 112.6 | Q71 | E69-Q71 VanDerWaalsContact C-N 3.32Š|
| 70 | R | 73 | Confident | 74.7 | Confident | 128 Ų | 128 | 110.8 Ų | 110.8 | 48% | 0.483 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | 6.5 | 178.4 | -54.6 | -178.6 | -175.6 | -177.6 | 1.1 | 113.4 | L55 L57 L67 K68 | L55-R70 VanDerWaalsContact O-CB 3.29Å; L55-R70 WeakPolarHBondContact O-CB 3.33Å; L57-R70 PolarHBondContact N-O 3.5Å; L57-R70 VanDerWaalsContact N-O 3.13Å; L67-R70 PolarHBondContact O-N 3.41Å; K68-R70 PolarHBondContact O-N 2.97Å |
| 71 | Q | 78.1 | Confident | 74.2 | Confident | 65 Ų | 65 | 110 Ų | 110 | 30% | 0.304 | 58% | 0.578 | S | S | . | * | B | Isolated β-bridge | trans | -76.7 | 129.8 | 175.5 | -167.6 | 174.9 | 50.8 | 0 | 0 | 110.7 | L57 Y60 T61 K68 E69 | L57-Q71 WeakPolarHBondContact O-CA 3.49Å; L57-Q71 WeakPolarHBondContact O-CG 3.41Å; Y60-Q71 PolarHBondContact O-NE2 3.07Å; T61-Q71 PolarHBondContact OG1-NE2 3.48Å; T61-Q71 VanDerWaalsContact OG1-NE2 3.08Å; K68-Q71 VanDerWaalsContact O-CB 3.22Å; K68-Q71 WeakPolarHBondContact O-CB 3.46Å; K68-Q71 PolarHBondContact O-N 3.19Å; E69-Q71 VanDerWaalsContact C-N 3.32Å |
| 72 | V | 76.8 | Confident | 73.8 | Confident | 38 Ų | 38 | 110.6 Ų | 110.6 | 23% | 0.23 | 58% | 0.578 | C | S | . | * | P | Polyproline II helix | trans | -73.3 | 125.9 | 177.4 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | K56 L57 R58 K74 | K56-V72 HydrophobicContact CB-CG2 3.82Å; K56-V72 HydrophobicContact CG-CG2 4.37Å; L57-V72 PolarHBondContact O-N 3.5Å; R58-V72 HydrophobicContact CG-CB 4.08Å; R58-V72 HydrophobicContact CG-CG2 3.79Å; V72-K74 PolarHBondContact O-N 3.48Å |
| 73 | P | 77.9 | Confident | 73.2 | Confident | 115 Ų | 115 | 116.6 Ų | 116.6 | 75% | 0.747 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 133.3 | 178.7 | 24 | -33.1 | 0 | 0 | 0 | 110 | A75 | P73-A75 PolarHBondContact O-N 3.21Å; P73-A75 VanDerWaalsContact O-N 3.15Å |
| 74 | K | 72.9 | Confident | 73 | Confident | 180 Ų | 180 | 111.5 Ų | 111.5 | 78% | 0.783 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 119 | 176.9 | -67.1 | -178.9 | -179.3 | 178.1 | 0 | 108.4 | V72 K76 | V72-K74 PolarHBondContact O-N 3.48Å; K74-K76 PolarHBondContact O-N 2.76Å |
| 75 | A | 71.1 | Confident | 72.8 | Confident | 97 Ų | 97 | 112.7 Ų | 112.7 | 80% | 0.802 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 123.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P73 | P73-A75 PolarHBondContact O-N 3.21Å; P73-A75 VanDerWaalsContact O-N 3.15Å |
| 76 | K | 72.4 | Confident | 72.8 | Confident | 195 Ų | 195 | 110.1 Ų | 110.1 | 85% | 0.848 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128.3 | 168.8 | -67.7 | 178.3 | -178.6 | 178.2 | 0 | 107.2 | K74 A78 | K74-K76 PolarHBondContact O-N 2.76Å; K76-A78 PolarHBondContact O-N 2.94Å |
| 77 | P | 67.4 | Low | 72.7 | Confident | 123 Ų | 123 | 109.5 Ų | 109.5 | 80% | 0.799 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 141.5 | 174.9 | 25.6 | -32.5 | 0 | 0 | 0 | 109.1 | S79 | P77-S79 PolarHBondContact O-N 2.57Š|
| 78 | A | 67.3 | Low | 72.5 | Confident | 79 Ų | 79 | 112.5 Ų | 112.5 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 139.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | K76 V80 | K76-A78 PolarHBondContact O-N 2.94Å; A78-V80 PolarHBondContact O-N 3.26Å |
| 79 | S | 71.1 | Confident | 72.3 | Confident | 56 Ų | 56 | 114.9 Ų | 114.9 | 39% | 0.392 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 126.2 | -179.5 | -178.7 | 0 | 0 | 0 | 0 | 110 | P77 E81 | P77-S79 PolarHBondContact O-N 2.57Å; S79-E81 WeakPolarHBondContact OG-CB 3.34Å; S79-E81 WeakPolarHBondContact OG-CG 3.43Å; S79-E81 PolarHBondContact OG-N 3.3Å; S79-E81 PolarHBondContact OG-OE2 3.26Å |
| 80 | V | 70.8 | Confident | 72 | Confident | 95 Ų | 95 | 110.7 Ų | 110.7 | 58% | 0.576 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -82.3 | -6.2 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | A78 D82 K83 V84 | A78-V80 PolarHBondContact O-N 3.26Å; V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.41Å; V80-K83 PolarHBondContact O-N 3.38Å; V80-V84 VanDerWaalsContact O-CG2 3.26Å; V80-V84 WeakPolarHBondContact O-CG2 3.26Å; V80-V84 PolarHBondContact O-N 3.21Å |
| 81 | E | 71.1 | Confident | 71.6 | Confident | 131 Ų | 131 | 107.9 Ų | 107.9 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.4 | -41.4 | -174.1 | -68.1 | 145.3 | -177.1 | 0 | 0 | 112 | S79 V84 K85 | S79-E81 WeakPolarHBondContact OG-CB 3.34Å; S79-E81 WeakPolarHBondContact OG-CG 3.43Å; S79-E81 PolarHBondContact OG-N 3.3Å; S79-E81 PolarHBondContact OG-OE2 3.26Å; E81-V84 PolarHBondContact O-N 2.89Å; E81-K85 WeakPolarHBondContact O-CG 3.29Å; E81-K85 PolarHBondContact O-N 3.03Å |
| 82 | D | 68.8 | Low | 70.9 | Confident | 98 Ų | 98 | 110.6 Ų | 110.6 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.6 | -39.3 | 179.1 | -60.5 | -33.2 | 0 | 0 | 0 | 111.1 | V80 V84 K85 D86 | V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.41Å; D82-V84 VanDerWaalsContact C-N 3.32Å; D82-V84 PolarHBondContact O-N 2.94Å; D82-K85 PolarHBondContact O-N 3.37Å; D82-D86 VanDerWaalsContact O-CG 3.23Å; D82-D86 PolarHBondContact O-N 2.9Å |
| 83 | K | 70.4 | Confident | 70.2 | Confident | 132 Ų | 132 | 114.1 Ų | 114.1 | 57% | 0.574 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.5 | -34.1 | 175.4 | -64.3 | -178.6 | -179.6 | 178.5 | 0 | 112.6 | V80 Q87 | V80-K83 PolarHBondContact O-N 3.38Å; K83-Q87 WeakPolarHBondContact O-CB 3.25Å; K83-Q87 VanDerWaalsContact O-CG 3.25Å; K83-Q87 WeakPolarHBondContact O-CG 3.37Å; K83-Q87 PolarHBondContact O-N 2.98Å |
| 84 | V | 73.8 | Confident | 69.4 | Low | 69 Ų | 69 | 115.9 Ų | 115.9 | 42% | 0.418 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.1 | -39.7 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | V80 E81 D82 Q87 L88 | V80-V84 VanDerWaalsContact O-CG2 3.26Å; V80-V84 WeakPolarHBondContact O-CG2 3.26Å; V80-V84 PolarHBondContact O-N 3.21Å; E81-V84 PolarHBondContact O-N 2.89Å; D82-V84 VanDerWaalsContact C-N 3.32Å; D82-V84 PolarHBondContact O-N 2.94Å; V84-Q87 PolarHBondContact O-N 3.09Å; V84-L88 HydrophobicContact CG1-CD1 3.67Å; V84-L88 VanDerWaalsContact O-CD1 3.29Å; V84-L88 WeakPolarHBondContact O-CD1 3.49Å; V84-L88 PolarHBondContact O-N 3.3Å |
| 85 | K | 76 | Confident | 68.8 | Low | 134 Ų | 134 | 113.6 Ų | 113.6 | 58% | 0.583 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62.4 | -47.7 | 173.4 | -75.1 | 173.5 | -178 | 172.3 | 0 | 111.8 | E81 D82 Q87 L88 E89 | E81-K85 WeakPolarHBondContact O-CG 3.29Å; E81-K85 PolarHBondContact O-N 3.03Å; D82-K85 PolarHBondContact O-N 3.37Å; K85-Q87 PolarHBondContact O-N 2.91Å; K85-L88 PolarHBondContact O-N 3.36Å; K85-L88 VanDerWaalsContact O-N 3.09Å; K85-E89 WeakPolarHBondContact O-CB 3.41Å; K85-E89 PolarHBondContact O-N 3.4Å |
| 86 | D | 73.2 | Confident | 68.2 | Low | 105 Ų | 105 | 115 Ų | 115 | 56% | 0.561 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.4 | -38.1 | 177.4 | -66.5 | -14.7 | 0 | 0 | 0 | 111.5 | D82 A90 | D82-D86 VanDerWaalsContact O-CG 3.23Å; D82-D86 PolarHBondContact O-N 2.9Å; D86-A90 VanDerWaalsContact O-CB 3.24Å; D86-A90 WeakPolarHBondContact O-CB 3.24Å; D86-A90 PolarHBondContact O-N 3.05Å |
| 87 | Q | 72.6 | Confident | 67.6 | Low | 139 Ų | 139 | 112.2 Ų | 112.2 | 65% | 0.65 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.1 | -35.9 | 175.6 | -75.8 | 177.9 | 5.5 | 0 | 0 | 113.2 | K83 V84 K85 A91 | K83-Q87 WeakPolarHBondContact O-CB 3.25Å; K83-Q87 VanDerWaalsContact O-CG 3.25Å; K83-Q87 WeakPolarHBondContact O-CG 3.37Å; K83-Q87 PolarHBondContact O-N 2.98Å; V84-Q87 PolarHBondContact O-N 3.09Å; K85-Q87 PolarHBondContact O-N 2.91Å; Q87-A91 WeakPolarHBondContact O-CB 3.42Å; Q87-A91 PolarHBondContact O-N 3.32Å |
| 88 | L | 70.7 | Confident | 67.4 | Low | 112 Ų | 112 | 115.2 Ų | 115.2 | 59% | 0.586 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.1 | -38.6 | 175.3 | -102.6 | 109.5 | 0 | 0 | 0 | 111.9 | V84 K85 A91 N92 | V84-L88 HydrophobicContact CG1-CD1 3.67Å; V84-L88 VanDerWaalsContact O-CD1 3.29Å; V84-L88 WeakPolarHBondContact O-CD1 3.49Å; V84-L88 PolarHBondContact O-N 3.3Å; K85-L88 PolarHBondContact O-N 3.36Å; K85-L88 VanDerWaalsContact O-N 3.09Å; L88-A91 PolarHBondContact O-N 3.26Å; L88-N92 PolarHBondContact O-N 3.28Å |
| 89 | E | 69 | Low | 67 | Low | 146 Ų | 146 | 120.2 Ų | 120.2 | 68% | 0.682 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.1 | -41 | 177.2 | -166.1 | 166.8 | -164.9 | 0 | 0 | 111 | K85 A91 N92 | K85-E89 WeakPolarHBondContact O-CB 3.41Å; K85-E89 PolarHBondContact O-N 3.4Å; E89-A91 PolarHBondContact O-N 3.14Å; E89-N92 PolarHBondContact O-N 3.18Å |
| 90 | A | 68.3 | Low | 66.5 | Low | 87 Ų | 87 | 122.8 Ų | 122.8 | 72% | 0.719 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.8 | -21.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D86 | D86-A90 VanDerWaalsContact O-CB 3.24Å; D86-A90 WeakPolarHBondContact O-CB 3.24Å; D86-A90 PolarHBondContact O-N 3.05Å |
| 91 | A | 64.3 | Low | 66.2 | Low | 70 Ų | 70 | 122.6 Ų | 122.6 | 58% | 0.579 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -3.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q87 L88 E89 P93 | Q87-A91 WeakPolarHBondContact O-CB 3.42Å; Q87-A91 PolarHBondContact O-N 3.32Å; L88-A91 PolarHBondContact O-N 3.26Å; E89-A91 PolarHBondContact O-N 3.14Å; A91-P93 VanDerWaalsContact C-CD 3.46Å; A91-P93 WeakPolarHBondContact O-CD 3.19Å |
| 92 | N | 62.8 | Low | 65.5 | Low | 122 Ų | 122 | 123.2 Ų | 123.2 | 65% | 0.652 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -94.2 | 88.9 | 167 | -76.5 | -31.7 | 0 | 0 | 0 | 108.5 | L88 E89 E94 | L88-N92 PolarHBondContact O-N 3.28Å; E89-N92 PolarHBondContact O-N 3.18Å; N92-E94 PolarHBondContact O-N 3Å; N92-E94 VanDerWaalsContact O-N 3.14Å |
| 93 | P | 61.8 | Low | 65.1 | Low | 112 Ų | 112 | 121.8 Ų | 121.8 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -63.1 | 120.2 | 171.7 | 28 | -34 | 0 | 0 | 0 | 108.2 | A91 P95 | A91-P93 VanDerWaalsContact C-CD 3.46Å; A91-P93 WeakPolarHBondContact O-CD 3.19Å; P93-P95 WeakPolarHBondContact O-CD 2.96Å | ||
| 94 | E | 62.6 | Low | 64.8 | Low | 151 Ų | 151 | 119.7 Ų | 119.7 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | trans | -53.6 | 126.4 | 161.5 | -65.6 | -175.7 | 161.1 | 0 | 0 | 107.2 | N92 I96 | N92-E94 PolarHBondContact O-N 3Å; N92-E94 VanDerWaalsContact O-N 3.14Å; E94-I96 HydrophobicContact CB-CD1 4.07Å; E94-I96 HydrophobicContact CB-CG1 4.03Å; E94-I96 PolarHBondContact O-N 2.72Å; E94-I96 WeakPolarHBondContact OE2-CD1 3.48Å | ||
| 95 | P | 59.1 | Low | 64.3 | Low | 133 Ų | 133 | 123 Ų | 123 | 86% | 0.864 | 67% | 0.669 | S | S | * | * | trans | -73.6 | 70.7 | 178.9 | 30.4 | -34.1 | 0 | 0 | 0 | 109.3 | P93 I97 | P93-P95 WeakPolarHBondContact O-CD 2.96Å; P95-I97 PolarHBondContact O-N 3.4Å | ||
| 96 | I | 58.8 | Low | 64 | Low | 126 Ų | 126 | 119 Ų | 119 | 65% | 0.646 | 66% | 0.661 | S | S | * | * | trans | -94 | 86.3 | 170 | -57.2 | 170.4 | 0 | 0 | 0 | 105.7 | E94 | E94-I96 HydrophobicContact CB-CD1 4.07Å; E94-I96 HydrophobicContact CB-CG1 4.03Å; E94-I96 PolarHBondContact O-N 2.72Å; E94-I96 WeakPolarHBondContact OE2-CD1 3.48Å | ||
| 97 | I | 59.1 | Low | 64.4 | Low | 137 Ų | 137 | 120.6 Ų | 120.6 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 165.4 | 111 | 137.5 | -79 | 149.6 | 0 | 0 | 0 | 105.1 | P95 E99 V100 | P95-I97 PolarHBondContact O-N 3.4Å; I97-E99 PolarHBondContact O-N 2.99Å; I97-E99 VanDerWaalsContact O-N 3.13Å; I97-V100 HydrophobicContact CG2-CG2 4.38Å |
| 98 | E | 63.5 | Low | 64.7 | Low | 185 Ų | 185 | 118.8 Ų | 118.8 | 86% | 0.864 | 66% | 0.664 | S | S | * | * | trans | -39.9 | 118.5 | 161.2 | -66.2 | 171.3 | 158.2 | 0 | 0 | 108.7 | V100 | E98-V100 PolarHBondContact O-N 3.13Š| ||
| 99 | E | 60.3 | Low | 65.4 | Low | 185 Ų | 185 | 121 Ų | 121 | 86% | 0.864 | 67% | 0.669 | S | S | * | * | trans | -35.3 | 111.8 | 176.6 | -66.1 | 168 | 156.4 | 0 | 0 | 110 | I97 D101 | I97-E99 PolarHBondContact O-N 2.99Å; I97-E99 VanDerWaalsContact O-N 3.13Å; E99-D101 VanDerWaalsContact C-N 3.35Å; E99-D101 PolarHBondContact O-N 3Å | ||
| 100 | V | 60.5 | Low | 66.2 | Low | 109 Ų | 109 | 120 Ų | 120 | 66% | 0.661 | 68% | 0.676 | S | S | * | * | trans | -60.7 | 104.8 | 172.8 | 179.2 | 0 | 0 | 0 | 0 | 106.1 | I97 E98 L102 | I97-V100 HydrophobicContact CG2-CG2 4.38Å; E98-V100 PolarHBondContact O-N 3.13Å; V100-L102 PolarHBondContact O-N 3.38Å | ||
| 101 | D | 63.4 | Low | 67.1 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 49% | 0.492 | 66% | 0.663 | S | S | . | * | trans | -54.3 | 101.8 | -176.2 | 180 | 11.4 | 0 | 0 | 0 | 110 | E99 A103 N104 | E99-D101 VanDerWaalsContact C-N 3.35Å; E99-D101 PolarHBondContact O-N 3Å; D101-A103 PolarHBondContact O-N 2.87Å; D101-A103 WeakPolarHBondContact OD1-CB 3.44Å; D101-A103 PolarHBondContact OD1-N 2.84Å; D101-N104 WeakPolarHBondContact O-CB 3.39Å; D101-N104 PolarHBondContact O-N 3.47Å; D101-N104 PolarHBondContact OD2-ND2 3.04Å | ||
| 102 | L | 57.3 | Low | 68.4 | Low | 144 Ų | 144 | 121.4 Ų | 121.4 | 75% | 0.754 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -18.2 | -174.6 | -72.1 | 139.5 | 0 | 0 | 0 | 112.2 | V100 N104 L105 | V100-L102 PolarHBondContact O-N 3.38Å; L102-N104 VanDerWaalsContact C-N 3.28Å; L102-N104 PolarHBondContact O-N 2.89Å; L102-L105 PolarHBondContact O-N 2.67Å |
| 103 | A | 60.1 | Low | 69.6 | Low | 68 Ų | 68 | 119.5 Ų | 119.5 | 56% | 0.562 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -25.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | D101 | D101-A103 PolarHBondContact O-N 2.87Å; D101-A103 WeakPolarHBondContact OD1-CB 3.44Å; D101-A103 PolarHBondContact OD1-N 2.84Å |
| 104 | N | 63 | Low | 71 | Confident | 88 Ų | 88 | 119.5 Ų | 119.5 | 47% | 0.471 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.3 | -17.7 | 176.7 | -68 | -50.4 | 0 | 0 | 0 | 113.5 | D101 L102 R108 | D101-N104 WeakPolarHBondContact O-CB 3.39Å; D101-N104 PolarHBondContact O-N 3.47Å; D101-N104 PolarHBondContact OD2-ND2 3.04Å; L102-N104 VanDerWaalsContact C-N 3.28Å; L102-N104 PolarHBondContact O-N 2.89Å; N104-R108 PolarHBondContact OD1-NH2 3.36Å |
| 105 | L | 63.8 | Low | 72.3 | Confident | 138 Ų | 138 | 118.6 Ų | 118.6 | 72% | 0.723 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -15.7 | -179.5 | -164.4 | 66 | 0 | 0 | 0 | 113 | L102 | L102-L105 PolarHBondContact O-N 2.67Š|
| 106 | A | 69.8 | Low | 73.9 | Confident | 50 Ų | 50 | 118.7 Ų | 118.7 | 41% | 0.413 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -64.8 | 151.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R108 | A106-R108 PolarHBondContact O-N 2.95Š|
| 107 | P | 81.6 | Confident | 75.3 | Confident | 138 Ų | 138 | 116.7 Ų | 116.7 | 90% | 0.896 | 60% | 0.604 | S | S | * | * | trans | -58.5 | 108.9 | 174.9 | -20.2 | 31.3 | 0 | 0 | 0 | 110.3 | ||||
| 108 | R | 79.6 | Confident | 77 | Confident | 101 Ų | 101 | 112.7 Ų | 112.7 | 38% | 0.381 | 59% | 0.586 | S | S | . | * | trans | -74.5 | 162.3 | 178.1 | -62.6 | -113.2 | -157.4 | 167.5 | -4.3 | 110.1 | N104 A106 W112 | N104-R108 PolarHBondContact OD1-NH2 3.36Å; A106-R108 PolarHBondContact O-N 2.95Å; R108-W112 HydrophobicContact CB-CB 4.1Å; R108-W112 HydrophobicContact CB-CD2 3.82Å; R108-W112 HydrophobicContact CB-CE3 3.24Å; R108-W112 HydrophobicContact CB-CG 4.17Å; R108-W112 HydrophobicContact CB-CZ3 3.89Å; R108-W112 HydrophobicContact CG-CD2 3.87Å; R108-W112 HydrophobicContact CG-CE3 3.23Å; R108-W112 HydrophobicContact CG-CH2 4.15Å; R108-W112 HydrophobicContact CG-CZ3 3.35Å; R108-W112 VanDerWaalsContact CZ-CE2 3.41Å; R108-W112 VanDerWaalsContact NE-CZ2 3.34Å | ||
| 109 | K | 84.3 | Confident | 78.5 | Confident | 159 Ų | 159 | 106.3 Ų | 106.3 | 69% | 0.691 | 57% | 0.565 | S | S | * | * | trans | -56.6 | 140.5 | 174.1 | -65.6 | -176.3 | 179.9 | -178.8 | 0 | 109.6 | D111 W112 | K109-D111 PolarHBondContact O-N 2.69Å; K109-D111 VanDerWaalsContact O-N 3.07Å; K109-W112 WeakPolarHBondContact O-CB 3.46Å; K109-W112 PolarHBondContact O-N 3.27Å | ||
| 110 | P | 85.6 | Confident | 80.1 | Confident | 126 Ų | 126 | 104.4 Ų | 104.4 | 82% | 0.818 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -33.5 | 178.4 | -28.2 | 34.8 | 0 | 0 | 0 | 113.8 | W112 | P110-W112 VanDerWaalsContact C-N 3.3Å; P110-W112 PolarHBondContact O-N 3.01Å |
| 111 | D | 88.3 | Confident | 81.8 | Confident | 84 Ų | 84 | 106.7 Ų | 106.7 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.2 | -0.3 | -180 | -47.5 | -43.2 | 0 | 0 | 0 | 114.2 | K109 D113 L114 K115 | K109-D111 PolarHBondContact O-N 2.69Å; K109-D111 VanDerWaalsContact O-N 3.07Å; D111-D113 VanDerWaalsContact C-N 3.33Å; D111-D113 PolarHBondContact O-N 3.46Å; D111-L114 PolarHBondContact O-N 2.88Å; D111-K115 WeakPolarHBondContact O-CB 3.13Å; D111-K115 VanDerWaalsContact O-CG 3.32Å; D111-K115 WeakPolarHBondContact O-CG 3.44Å; D111-K115 PolarHBondContact O-N 2.92Å |
| 112 | W | 90.3 | Very high | 83.3 | Confident | 101 Ų | 101 | 107 Ų | 107 | 38% | 0.383 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.9 | -42.6 | -173.6 | 171.9 | 46 | 0 | 0 | 0 | 111.9 | R108 K109 P110 K115 R116 | R108-W112 HydrophobicContact CB-CB 4.1Å; R108-W112 HydrophobicContact CB-CD2 3.82Å; R108-W112 HydrophobicContact CB-CE3 3.24Å; R108-W112 HydrophobicContact CB-CG 4.17Å; R108-W112 HydrophobicContact CB-CZ3 3.89Å; R108-W112 HydrophobicContact CG-CD2 3.87Å; R108-W112 HydrophobicContact CG-CE3 3.23Å; R108-W112 HydrophobicContact CG-CH2 4.15Å; R108-W112 HydrophobicContact CG-CZ3 3.35Å; R108-W112 VanDerWaalsContact CZ-CE2 3.41Å; R108-W112 VanDerWaalsContact NE-CZ2 3.34Å; K109-W112 WeakPolarHBondContact O-CB 3.46Å; K109-W112 PolarHBondContact O-N 3.27Å; P110-W112 VanDerWaalsContact C-N 3.3Å; P110-W112 PolarHBondContact O-N 3.01Å; W112-K115 PolarHBondContact O-N 3.29Å; W112-R116 PolarHBondContact O-N 2.96Å |
| 113 | D | 88.6 | Confident | 85.1 | Confident | 82 Ų | 82 | 104.3 Ų | 104.3 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 178 | -163.7 | 46.6 | 0 | 0 | 0 | 111 | D111 K115 R116 D117 | D111-D113 VanDerWaalsContact C-N 3.33Å; D111-D113 PolarHBondContact O-N 3.46Å; D113-K115 VanDerWaalsContact C-N 3.33Å; D113-K115 PolarHBondContact O-N 3.5Å; D113-R116 PolarHBondContact O-N 3.03Å; D113-R116 IonicContact OD1-CZ 3.22Å; D113-R116 IonicContact OD1-NE 3.91Å; D113-R116 IonicContact OD1-NH1 3.67Å; D113-R116 IonicContact OD1-NH2 2.67Å; D113-R116 PolarHBondContact OD1-NH2 3.18Å; D113-D117 PolarHBondContact O-N 3.39Å |
| 114 | L | 90.7 | Very high | 86.8 | Confident | 112 Ų | 112 | 107.1 Ų | 107.1 | 59% | 0.586 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.9 | -45.2 | 175.5 | -176.6 | 64.4 | 0 | 0 | 0 | 111.7 | D111 D117 V118 | D111-L114 PolarHBondContact O-N 2.88Å; L114-D117 PolarHBondContact O-N 2.99Å; L114-V118 HydrophobicContact CD1-CG2 3.93Å; L114-V118 HydrophobicContact CG-CG2 4.4Å; L114-V118 VanDerWaalsContact O-CB 3.23Å; L114-V118 WeakPolarHBondContact O-CB 3.23Å; L114-V118 WeakPolarHBondContact O-CG2 3.16Å; L114-V118 PolarHBondContact O-N 3.36Å |
| 115 | K | 90.1 | Very high | 88.5 | Confident | 133 Ų | 133 | 107.6 Ų | 107.6 | 58% | 0.578 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 178.1 | -74 | 177.2 | -176.3 | -177.9 | 0 | 111.8 | D111 W112 D113 A119 | D111-K115 WeakPolarHBondContact O-CB 3.13Å; D111-K115 VanDerWaalsContact O-CG 3.32Å; D111-K115 WeakPolarHBondContact O-CG 3.44Å; D111-K115 PolarHBondContact O-N 2.92Å; W112-K115 PolarHBondContact O-N 3.29Å; D113-K115 VanDerWaalsContact C-N 3.33Å; D113-K115 PolarHBondContact O-N 3.5Å; K115-A119 WeakPolarHBondContact O-CB 3.16Å; K115-A119 PolarHBondContact O-N 3.35Å |
| 116 | R | 92.2 | Very high | 90 | Very high | 135 Ų | 135 | 106.2 Ų | 106.2 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 178.8 | -172.7 | -165.2 | 67.7 | -160.9 | -8 | 111.3 | W112 D113 A119 | W112-R116 PolarHBondContact O-N 2.96Å; D113-R116 PolarHBondContact O-N 3.03Å; D113-R116 IonicContact OD1-CZ 3.22Å; D113-R116 IonicContact OD1-NE 3.91Å; D113-R116 IonicContact OD1-NH1 3.67Å; D113-R116 IonicContact OD1-NH2 2.67Å; D113-R116 PolarHBondContact OD1-NH2 3.18Å; R116-A119 PolarHBondContact O-N 3.44Å |
| 117 | D | 90.1 | Very high | 91.3 | Very high | 83 Ų | 83 | 110.6 Ų | 110.6 | 44% | 0.444 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -73.3 | -30.8 | -174.7 | -71.5 | 4.2 | 0 | 0 | 0 | 112.3 | D113 L114 | D113-D117 PolarHBondContact O-N 3.39Å; L114-D117 PolarHBondContact O-N 2.99Å |
| 118 | V | 94.8 | Very high | 92.1 | Very high | 54 Ų | 54 | 112.1 Ų | 112.1 | 33% | 0.327 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -82.9 | -28.8 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | L114 K120 K121 L122 | L114-V118 HydrophobicContact CD1-CG2 3.93Å; L114-V118 HydrophobicContact CG-CG2 4.4Å; L114-V118 VanDerWaalsContact O-CB 3.23Å; L114-V118 WeakPolarHBondContact O-CB 3.23Å; L114-V118 WeakPolarHBondContact O-CG2 3.16Å; L114-V118 PolarHBondContact O-N 3.36Å; V118-K120 PolarHBondContact O-N 2.89Å; V118-K121 WeakPolarHBondContact O-CB 3.32Å; V118-K121 PolarHBondContact O-N 3.42Å; V118-L122 HydrophobicContact CG1-CD1 3.73Å; V118-L122 HydrophobicContact CG1-CG 3.78Å; V118-L122 PolarHBondContact O-N 2.9Å |
| 119 | A | 94.3 | Very high | 92.9 | Very high | 51 Ų | 51 | 110.4 Ų | 110.4 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -54.6 | -46.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K115 R116 K121 L122 E123 | K115-A119 WeakPolarHBondContact O-CB 3.16Å; K115-A119 PolarHBondContact O-N 3.35Å; R116-A119 PolarHBondContact O-N 3.44Å; A119-K121 PolarHBondContact O-N 3.07Å; A119-L122 PolarHBondContact O-N 2.68Å; A119-E123 WeakPolarHBondContact O-CB 3.43Å; A119-E123 PolarHBondContact O-N 3.36Å |
| 120 | K | 94.3 | Very high | 93.5 | Very high | 145 Ų | 145 | 108 Ų | 108 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -29.2 | 179.3 | -172.4 | 172.8 | -175.9 | 173.8 | 0 | 113.1 | V118 K124 | V118-K120 PolarHBondContact O-N 2.89Å; K120-K124 WeakPolarHBondContact O-CG 3.34Å |
| 121 | K | 95.2 | Very high | 94 | Very high | 157 Ų | 157 | 110 Ų | 110 | 68% | 0.683 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -77.3 | -43.3 | 176 | -64.2 | 179.1 | -177 | 172.7 | 0 | 110.6 | V118 A119 K124 L125 | V118-K121 WeakPolarHBondContact O-CB 3.32Å; V118-K121 PolarHBondContact O-N 3.42Å; A119-K121 PolarHBondContact O-N 3.07Å; K121-K124 PolarHBondContact O-N 3.47Å; K121-L125 PolarHBondContact O-N 2.86Å |
| 122 | L | 95.9 | Very high | 94.5 | Very high | 98 Ų | 98 | 108.1 Ų | 108.1 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 175.6 | -73.8 | 175.5 | 0 | 0 | 0 | 111.6 | V118 A119 K124 L125 E126 | V118-L122 HydrophobicContact CG1-CD1 3.73Å; V118-L122 HydrophobicContact CG1-CG 3.78Å; V118-L122 PolarHBondContact O-N 2.9Å; A119-L122 PolarHBondContact O-N 2.68Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3.1Å; L122-L125 CarbonylContact O-C 3.56Å; L122-L125 PolarHBondContact O-N 2.74Å; L122-L125 VanDerWaalsContact O-N 3.1Å; L122-E126 VanDerWaalsContact O-CB 3.26Å; L122-E126 WeakPolarHBondContact O-CB 3.47Å; L122-E126 PolarHBondContact O-N 3.37Å |
| 123 | E | 95.6 | Very high | 94.8 | Very high | 88 Ų | 88 | 107.4 Ų | 107.4 | 41% | 0.411 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 177.8 | -172.4 | -166.5 | 176.3 | 0 | 0 | 111.8 | A119 L125 E126 R127 | A119-E123 WeakPolarHBondContact O-CB 3.43Å; A119-E123 PolarHBondContact O-N 3.36Å; E123-L125 VanDerWaalsContact C-N 3.33Å; E123-L125 PolarHBondContact O-N 3.38Å; E123-E126 PolarHBondContact O-N 3.01Å; E123-R127 WeakPolarHBondContact O-CG 3.26Å; E123-R127 PolarHBondContact O-N 3.47Å; E123-R127 IonicContact OE1-CZ 3.39Å; E123-R127 IonicContact OE1-NE 3.53Å; E123-R127 IonicContact OE1-NH2 2.68Å; E123-R127 PolarHBondContact OE1-NH2 3.23Å |
| 124 | K | 95.8 | Very high | 95.1 | Very high | 126 Ų | 126 | 105.1 Ų | 105.1 | 55% | 0.548 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 176 | -73.6 | 179.9 | 180 | -174.5 | 0 | 112.1 | K120 K121 L122 R128 | K120-K124 WeakPolarHBondContact O-CG 3.34Å; K121-K124 PolarHBondContact O-N 3.47Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3.1Å; K124-R128 WeakPolarHBondContact O-CG 3.31Å; K124-R128 PolarHBondContact O-N 3.04Å |
| 125 | L | 96.8 | Very high | 95.4 | Very high | 99 Ų | 99 | 104.9 Ų | 104.9 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.7 | -47.9 | 178.4 | -175.3 | 63.8 | 0 | 0 | 0 | 110.4 | K121 L122 E123 R127 R128 T129 | K121-L125 PolarHBondContact O-N 2.86Å; L122-L125 CarbonylContact O-C 3.56Å; L122-L125 PolarHBondContact O-N 2.74Å; L122-L125 VanDerWaalsContact O-N 3.1Å; E123-L125 VanDerWaalsContact C-N 3.33Å; E123-L125 PolarHBondContact O-N 3.38Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.29Å; L125-R128 CarbonylContact O-C 3.38Å; L125-R128 WeakPolarHBondContact O-CA 3.49Å; L125-R128 WeakPolarHBondContact O-CB 3.49Å; L125-R128 PolarHBondContact O-N 3.42Å; L125-T129 PolarHBondContact O-N 2.79Å; L125-T129 PolarHBondContact O-OG1 3.31Å |
| 126 | E | 96.3 | Very high | 95.6 | Very high | 109 Ų | 109 | 104.2 Ų | 104.2 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.1 | -45.1 | 178.1 | -175.1 | 178.1 | -174.2 | 0 | 0 | 111.6 | L122 E123 R128 T129 Q130 | L122-E126 VanDerWaalsContact O-CB 3.26Å; L122-E126 WeakPolarHBondContact O-CB 3.47Å; L122-E126 PolarHBondContact O-N 3.37Å; E123-E126 PolarHBondContact O-N 3.01Å; E126-R128 VanDerWaalsContact C-N 3.27Å; E126-R128 PolarHBondContact O-N 3.21Å; E126-T129 PolarHBondContact O-N 3.23Å; E126-Q130 HydrophobicContact CG-CG 4.43Å; E126-Q130 WeakPolarHBondContact O-CB 3.4Å; E126-Q130 VanDerWaalsContact O-CG 3.31Å; E126-Q130 WeakPolarHBondContact O-CG 3.48Å; E126-Q130 PolarHBondContact O-N 2.96Å; E126-Q130 PolarHBondContact OE1-NE2 2.88Å |
| 127 | R | 97.2 | Very high | 95.7 | Very high | 141 Ų | 141 | 102.2 Ų | 102.2 | 53% | 0.532 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -36.6 | 174.2 | -72.6 | 178.7 | -174.6 | -162.4 | 3.5 | 113 | E123 L125 R131 | E123-R127 WeakPolarHBondContact O-CG 3.26Å; E123-R127 PolarHBondContact O-N 3.47Å; E123-R127 IonicContact OE1-CZ 3.39Å; E123-R127 IonicContact OE1-NE 3.53Å; E123-R127 IonicContact OE1-NH2 2.68Å; E123-R127 PolarHBondContact OE1-NH2 3.23Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.29Å; R127-R131 VanDerWaalsContact O-CG 3.26Å; R127-R131 WeakPolarHBondContact O-CG 3.26Å; R127-R131 PolarHBondContact O-N 3.36Å |
| 128 | R | 97.3 | Very high | 95.9 | Very high | 170 Ų | 170 | 105.6 Ų | 105.6 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -74.3 | -41.1 | 176.4 | -68.8 | 172.7 | 179.9 | 171.9 | -2.5 | 111.2 | K124 L125 E126 R131 A132 | K124-R128 WeakPolarHBondContact O-CG 3.31Å; K124-R128 PolarHBondContact O-N 3.04Å; L125-R128 CarbonylContact O-C 3.38Å; L125-R128 WeakPolarHBondContact O-CA 3.49Å; L125-R128 WeakPolarHBondContact O-CB 3.49Å; L125-R128 PolarHBondContact O-N 3.42Å; E126-R128 VanDerWaalsContact C-N 3.27Å; E126-R128 PolarHBondContact O-N 3.21Å; R128-R131 WeakPolarHBondContact O-CB 3.41Å; R128-R131 PolarHBondContact O-N 3.21Å; R128-A132 WeakPolarHBondContact O-CB 3.44Å; R128-A132 PolarHBondContact O-N 2.98Å |
| 129 | T | 97.3 | Very high | 95.8 | Very high | 66 Ų | 66 | 107.7 Ų | 107.7 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 176.3 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | L125 E126 R131 A132 I133 | L125-T129 PolarHBondContact O-N 2.79Å; L125-T129 PolarHBondContact O-OG1 3.31Å; E126-T129 PolarHBondContact O-N 3.23Å; T129-R131 VanDerWaalsContact C-N 3.33Å; T129-R131 PolarHBondContact O-N 3.42Å; T129-A132 PolarHBondContact O-N 2.8Å; T129-I133 HydrophobicContact CG2-CD1 3.85Å; T129-I133 HydrophobicContact CG2-CG1 4.41Å; T129-I133 WeakPolarHBondContact O-CB 3.38Å; T129-I133 WeakPolarHBondContact O-CG1 3.44Å; T129-I133 PolarHBondContact O-N 3.35Å |
| 130 | Q | 97.2 | Very high | 95.6 | Very high | 109 Ų | 109 | 115 Ų | 115 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 175 | -73 | 175.4 | -2.7 | 0 | 0 | 112.1 | E126 I133 A134 | E126-Q130 HydrophobicContact CG-CG 4.43Å; E126-Q130 WeakPolarHBondContact O-CB 3.4Å; E126-Q130 VanDerWaalsContact O-CG 3.31Å; E126-Q130 WeakPolarHBondContact O-CG 3.48Å; E126-Q130 PolarHBondContact O-N 2.96Å; E126-Q130 PolarHBondContact OE1-NE2 2.88Å; Q130-I133 PolarHBondContact O-N 2.88Å; Q130-A134 WeakPolarHBondContact O-CB 3.29Å; Q130-A134 PolarHBondContact O-N 3.33Å |
| 131 | R | 96.8 | Very high | 95.3 | Very high | 167 Ų | 167 | 112.8 Ų | 112.8 | 63% | 0.63 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.1 | -47.2 | 173.8 | -75.3 | 172 | -175.6 | 177.3 | -0.9 | 112.3 | R127 R128 T129 I133 A134 E135 | R127-R131 VanDerWaalsContact O-CG 3.26Å; R127-R131 WeakPolarHBondContact O-CG 3.26Å; R127-R131 PolarHBondContact O-N 3.36Å; R128-R131 WeakPolarHBondContact O-CB 3.41Å; R128-R131 PolarHBondContact O-N 3.21Å; T129-R131 VanDerWaalsContact C-N 3.33Å; T129-R131 PolarHBondContact O-N 3.42Å; R131-I133 VanDerWaalsContact C-N 3.33Å; R131-I133 PolarHBondContact O-N 3.44Å; R131-A134 PolarHBondContact O-N 2.88Å; R131-E135 WeakPolarHBondContact O-CG 3.2Å; R131-E135 PolarHBondContact O-N 3.19Å |
| 132 | A | 97.4 | Very high | 94.8 | Very high | 44 Ų | 44 | 113.7 Ų | 113.7 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R128 T129 E135 L136 | R128-A132 WeakPolarHBondContact O-CB 3.44Å; R128-A132 PolarHBondContact O-N 2.98Å; T129-A132 PolarHBondContact O-N 2.8Å; A132-E135 PolarHBondContact O-N 2.88Å; A132-L136 WeakPolarHBondContact O-CB 3.34Å; A132-L136 VanDerWaalsContact O-CG 3.29Å; A132-L136 WeakPolarHBondContact O-CG 3.43Å; A132-L136 PolarHBondContact O-N 3.5Å |
| 133 | I | 96.3 | Very high | 94 | Very high | 86 Ų | 86 | 111.4 Ų | 111.4 | 44% | 0.441 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 173.2 | -71.7 | 167.2 | 0 | 0 | 0 | 110.2 | T129 Q130 R131 E135 L136 I137 | T129-I133 HydrophobicContact CG2-CD1 3.85Å; T129-I133 HydrophobicContact CG2-CG1 4.41Å; T129-I133 WeakPolarHBondContact O-CB 3.38Å; T129-I133 WeakPolarHBondContact O-CG1 3.44Å; T129-I133 PolarHBondContact O-N 3.35Å; Q130-I133 PolarHBondContact O-N 2.88Å; R131-I133 VanDerWaalsContact C-N 3.33Å; R131-I133 PolarHBondContact O-N 3.44Å; I133-E135 VanDerWaalsContact C-N 3.33Å; I133-E135 PolarHBondContact O-N 3.48Å; I133-L136 PolarHBondContact O-N 2.81Å; I133-I137 HydrophobicContact CG2-CD1 3.7Å; I133-I137 HydrophobicContact CG2-CG1 4.4Å; I133-I137 WeakPolarHBondContact O-CB 3.47Å; I133-I137 VanDerWaalsContact O-CG1 3.24Å; I133-I137 WeakPolarHBondContact O-CG1 3.24Å; I133-I137 PolarHBondContact O-N 2.88Å |
| 134 | A | 96.3 | Very high | 93 | Very high | 35 Ų | 35 | 108.3 Ų | 108.3 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q130 R131 I137 R138 | Q130-A134 WeakPolarHBondContact O-CB 3.29Å; Q130-A134 PolarHBondContact O-N 3.33Å; R131-A134 PolarHBondContact O-N 2.88Å; A134-I137 PolarHBondContact O-N 3.32Å; A134-R138 WeakPolarHBondContact O-CG 3.48Å; A134-R138 PolarHBondContact O-N 2.88Å |
| 135 | E | 95.6 | Very high | 91.6 | Very high | 106 Ų | 106 | 108.1 Ų | 108.1 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -48.4 | 174.2 | -75.2 | 168.6 | -174.8 | 0 | 0 | 111.6 | R131 A132 I133 I137 R138 D139 | R131-E135 WeakPolarHBondContact O-CG 3.2Å; R131-E135 PolarHBondContact O-N 3.19Å; A132-E135 PolarHBondContact O-N 2.88Å; I133-E135 VanDerWaalsContact C-N 3.33Å; I133-E135 PolarHBondContact O-N 3.48Å; E135-I137 VanDerWaalsContact C-N 3.28Å; E135-I137 PolarHBondContact O-N 3.46Å; E135-R138 WeakPolarHBondContact O-CB 3.24Å; E135-R138 PolarHBondContact O-N 3.05Å; E135-D139 PolarHBondContact O-N 3.31Å |
| 136 | L | 95.9 | Very high | 90.1 | Very high | 119 Ų | 119 | 111.1 Ų | 111.1 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.1 | -38.3 | 175.8 | -72.8 | 172.6 | 0 | 0 | 0 | 112.5 | A132 I133 R140 | A132-L136 WeakPolarHBondContact O-CB 3.34Å; A132-L136 VanDerWaalsContact O-CG 3.29Å; A132-L136 WeakPolarHBondContact O-CG 3.43Å; A132-L136 PolarHBondContact O-N 3.5Å; I133-L136 PolarHBondContact O-N 2.81Å; L136-R140 VanDerWaalsContact O-CB 3.24Å; L136-R140 WeakPolarHBondContact O-CB 3.39Å; L136-R140 PolarHBondContact O-N 3.5Å |
| 137 | I | 94.6 | Very high | 88.8 | Confident | 93 Ų | 93 | 113 Ų | 113 | 48% | 0.477 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 174.8 | -69.8 | 167.4 | 0 | 0 | 0 | 110.6 | I133 A134 E135 R140 L141 | I133-I137 HydrophobicContact CG2-CD1 3.7Å; I133-I137 HydrophobicContact CG2-CG1 4.4Å; I133-I137 WeakPolarHBondContact O-CB 3.47Å; I133-I137 VanDerWaalsContact O-CG1 3.24Å; I133-I137 WeakPolarHBondContact O-CG1 3.24Å; I133-I137 PolarHBondContact O-N 2.88Å; A134-I137 PolarHBondContact O-N 3.32Å; E135-I137 VanDerWaalsContact C-N 3.28Å; E135-I137 PolarHBondContact O-N 3.46Å; I137-R140 PolarHBondContact O-N 2.9Å; I137-L141 HydrophobicContact CG2-CD1 3.82Å; I137-L141 HydrophobicContact CG2-CG 4.35Å; I137-L141 WeakPolarHBondContact O-CB 3.41Å; I137-L141 VanDerWaalsContact O-CG 3.32Å; I137-L141 WeakPolarHBondContact O-CG 3.33Å; I137-L141 PolarHBondContact O-N 2.94Å |
| 138 | R | 92.9 | Very high | 87.4 | Confident | 155 Ų | 155 | 110.6 Ų | 110.6 | 59% | 0.585 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 176.5 | -74.8 | -175.3 | -146 | 124.7 | 2.5 | 112.2 | A134 E135 R140 L141 R142 | A134-R138 WeakPolarHBondContact O-CG 3.48Å; A134-R138 PolarHBondContact O-N 2.88Å; E135-R138 WeakPolarHBondContact O-CB 3.24Å; E135-R138 PolarHBondContact O-N 3.05Å; R138-R140 VanDerWaalsContact C-N 3.35Å; R138-L141 PolarHBondContact O-N 3.01Å; R138-R142 WeakPolarHBondContact O-CB 3.34Å; R138-R142 PolarHBondContact O-N 2.84Å |
| 139 | D | 92.1 | Very high | 86.1 | Confident | 97 Ų | 97 | 105.5 Ų | 105.5 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 179.3 | -70.4 | -18 | 0 | 0 | 0 | 111.1 | E135 R142 G143 | E135-D139 PolarHBondContact O-N 3.31Å; D139-R142 PolarHBondContact O-N 3.4Å; D139-G143 PolarHBondContact O-N 3.16Å |
| 140 | R | 90.8 | Very high | 84.7 | Confident | 206 Ų | 206 | 105.4 Ų | 105.4 | 78% | 0.777 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.6 | -44.9 | 173.6 | -172.2 | 175.2 | -175.3 | 179.2 | 0.7 | 111.5 | L136 I137 R138 G143 S144 | L136-R140 VanDerWaalsContact O-CB 3.24Å; L136-R140 WeakPolarHBondContact O-CB 3.39Å; L136-R140 PolarHBondContact O-N 3.5Å; I137-R140 PolarHBondContact O-N 2.9Å; R138-R140 VanDerWaalsContact C-N 3.35Å; R140-G143 PolarHBondContact O-N 3.44Å; R140-S144 WeakPolarHBondContact O-CB 3.43Å; R140-S144 PolarHBondContact O-N 2.93Å; R140-S144 PolarHBondContact O-OG 2.79Å |
| 141 | L | 87.8 | Confident | 83.5 | Confident | 98 Ų | 98 | 103 Ų | 103 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 178 | -80.2 | 169.5 | 0 | 0 | 0 | 111.7 | I137 R138 S144 E145 | I137-L141 HydrophobicContact CG2-CD1 3.82Å; I137-L141 HydrophobicContact CG2-CG 4.35Å; I137-L141 WeakPolarHBondContact O-CB 3.41Å; I137-L141 VanDerWaalsContact O-CG 3.32Å; I137-L141 WeakPolarHBondContact O-CG 3.33Å; I137-L141 PolarHBondContact O-N 2.94Å; R138-L141 PolarHBondContact O-N 3.01Å; L141-S144 WeakPolarHBondContact CA-OG 3.34Å; L141-S144 CarbonylContact O-C 3.58Å; L141-S144 PolarHBondContact O-N 3.34Å; L141-S144 PolarHBondContact O-OG 2.97Å; L141-E145 WeakPolarHBondContact O-CA 3.32Å; L141-E145 WeakPolarHBondContact O-CB 3.32Å; L141-E145 PolarHBondContact O-N 2.84Å |
| 142 | R | 84.9 | Confident | 82.3 | Confident | 175 Ų | 175 | 100 Ų | 100 | 66% | 0.66 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.8 | -43.7 | 176 | -173.6 | -174.3 | -69.3 | 170 | -3.7 | 112 | R138 D139 S144 E145 | R138-R142 WeakPolarHBondContact O-CB 3.34Å; R138-R142 PolarHBondContact O-N 2.84Å; D139-R142 PolarHBondContact O-N 3.4Å; R142-S144 VanDerWaalsContact C-N 3.32Å; R142-E145 VanDerWaalsContact O-CB 3.27Å; R142-E145 WeakPolarHBondContact O-CB 3.14Å; R142-E145 PolarHBondContact O-N 2.91Å; R142-E145 VanDerWaalsContact O-N 3.16Å |
| 143 | G | 79.7 | Confident | 80.9 | Confident | 51 Ų | 51 | 99.9 Ų | 99.9 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -33.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D139 R140 E145 | D139-G143 PolarHBondContact O-N 3.16Å; R140-G143 PolarHBondContact O-N 3.44Å; G143-E145 VanDerWaalsContact C-N 3.34Å |
| 144 | S | 73.6 | Confident | 79.4 | Confident | 23 Ų | 23 | 98.6 Ų | 98.6 | 16% | 0.161 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -4.1 | 171.9 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | R140 L141 R142 E146 E147 L148 | R140-S144 WeakPolarHBondContact O-CB 3.43Å; R140-S144 PolarHBondContact O-N 2.93Å; R140-S144 PolarHBondContact O-OG 2.79Å; L141-S144 WeakPolarHBondContact CA-OG 3.34Å; L141-S144 CarbonylContact O-C 3.58Å; L141-S144 PolarHBondContact O-N 3.34Å; L141-S144 PolarHBondContact O-OG 2.97Å; R142-S144 VanDerWaalsContact C-N 3.32Å; S144-E146 VanDerWaalsContact C-N 3.31Å; S144-E146 PolarHBondContact O-N 3.28Å; S144-E147 PolarHBondContact O-N 2.71Å; S144-L148 WeakPolarHBondContact O-CA 3.27Å; S144-L148 WeakPolarHBondContact O-CB 3.16Å; S144-L148 WeakPolarHBondContact O-CG 3.15Å; S144-L148 PolarHBondContact O-N 3.5Å |
| 145 | E | 67.7 | Low | 77.8 | Confident | 122 Ų | 122 | 99.9 Ų | 99.9 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.4 | -35.8 | -175.4 | -162.4 | 170.4 | -173.1 | 0 | 0 | 110 | L141 R142 G143 A149 | L141-E145 WeakPolarHBondContact O-CA 3.32Å; L141-E145 WeakPolarHBondContact O-CB 3.32Å; L141-E145 PolarHBondContact O-N 2.84Å; R142-E145 VanDerWaalsContact O-CB 3.27Å; R142-E145 WeakPolarHBondContact O-CB 3.14Å; R142-E145 PolarHBondContact O-N 2.91Å; R142-E145 VanDerWaalsContact O-N 3.16Å; G143-E145 VanDerWaalsContact C-N 3.34Å; E145-A149 WeakPolarHBondContact O-CA 3.47Å; E145-A149 WeakPolarHBondContact O-CB 3Å; E145-A149 PolarHBondContact O-N 2.77Å |
| 146 | E | 65.4 | Low | 76.1 | Confident | 162 Ų | 162 | 97.3 Ų | 97.3 | 76% | 0.757 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.7 | -42.1 | 172.2 | -65.6 | 178.2 | 178.5 | 0 | 0 | 111.5 | S144 A150 | S144-E146 VanDerWaalsContact C-N 3.31Å; S144-E146 PolarHBondContact O-N 3.28Å; E146-A150 WeakPolarHBondContact O-CB 3.22Å; E146-A150 PolarHBondContact O-N 3.36Å |
| 147 | E | 69.1 | Low | 74.3 | Confident | 147 Ų | 147 | 96.8 Ų | 96.8 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.2 | -39.4 | 177.1 | -65 | -179.5 | 172.1 | 0 | 0 | 112.4 | S144 A151 | S144-E147 PolarHBondContact O-N 2.71Å; E147-A151 WeakPolarHBondContact O-CB 3.17Å; E147-A151 PolarHBondContact O-N 2.87Å |
| 148 | L | 67.6 | Low | 72.5 | Confident | 92 Ų | 92 | 100.6 Ų | 100.6 | 48% | 0.482 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.7 | -40.9 | 177.6 | -73.9 | 170 | 0 | 0 | 0 | 111.2 | S144 A150 A151 V152 | S144-L148 WeakPolarHBondContact O-CA 3.27Å; S144-L148 WeakPolarHBondContact O-CB 3.16Å; S144-L148 WeakPolarHBondContact O-CG 3.15Å; S144-L148 PolarHBondContact O-N 3.5Å; L148-A150 VanDerWaalsContact C-N 3.35Å; L148-A151 PolarHBondContact O-N 2.82Å; L148-V152 VanDerWaalsContact O-CB 3.3Å; L148-V152 WeakPolarHBondContact O-CB 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.3Å; L148-V152 PolarHBondContact O-N 2.95Å |
| 149 | A | 68.5 | Low | 70.7 | Confident | 63 Ų | 63 | 101.7 Ų | 101.7 | 52% | 0.521 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.1 | -38.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E145 G153 | E145-A149 WeakPolarHBondContact O-CA 3.47Å; E145-A149 WeakPolarHBondContact O-CB 3Å; E145-A149 PolarHBondContact O-N 2.77Å; A149-G153 PolarHBondContact O-N 2.88Å |
| 150 | A | 69.3 | Low | 69 | Low | 64 Ų | 64 | 100.3 Ų | 100.3 | 53% | 0.529 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.3 | -43.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E146 L148 G153 A154 | E146-A150 WeakPolarHBondContact O-CB 3.22Å; E146-A150 PolarHBondContact O-N 3.36Å; L148-A150 VanDerWaalsContact C-N 3.35Å; A150-G153 PolarHBondContact O-N 3.01Å; A150-A154 WeakPolarHBondContact O-CB 3.38Å; A150-A154 PolarHBondContact O-N 2.97Å |
| 151 | A | 71.3 | Confident | 67.2 | Low | 57 Ų | 57 | 98 Ų | 98 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.1 | -39.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E147 L148 A155 | E147-A151 WeakPolarHBondContact O-CB 3.17Å; E147-A151 PolarHBondContact O-N 2.87Å; L148-A151 PolarHBondContact O-N 2.82Å; A151-A155 WeakPolarHBondContact O-CB 3.49Å; A151-A155 PolarHBondContact O-N 2.89Å |
| 152 | V | 71.1 | Confident | 65.6 | Low | 106 Ų | 106 | 98.5 Ų | 98.5 | 64% | 0.642 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.4 | -38.2 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L148 A155 G156 | L148-V152 VanDerWaalsContact O-CB 3.3Å; L148-V152 WeakPolarHBondContact O-CB 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.3Å; L148-V152 PolarHBondContact O-N 2.95Å; V152-A155 PolarHBondContact O-N 3.3Å; V152-G156 PolarHBondContact O-N 3.47Å |
| 153 | G | 68 | Low | 63.7 | Low | 40 Ų | 40 | 101.5 Ų | 101.5 | 41% | 0.412 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.8 | -40.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A149 A150 V157 | A149-G153 PolarHBondContact O-N 2.88Å; A150-G153 PolarHBondContact O-N 3.01Å; G153-V157 VanDerWaalsContact O-CG2 3.27Å; G153-V157 WeakPolarHBondContact O-CG2 3.33Å; G153-V157 PolarHBondContact O-N 3.46Å |
| 154 | A | 65.3 | Low | 62.9 | Low | 60 Ų | 60 | 104 Ų | 104 | 50% | 0.496 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.1 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A150 G156 V157 E158 | A150-A154 WeakPolarHBondContact O-CB 3.38Å; A150-A154 PolarHBondContact O-N 2.97Å; A154-G156 VanDerWaalsContact C-N 3.34Å; A154-G156 PolarHBondContact O-N 3.38Å; A154-V157 PolarHBondContact O-N 3.33Å; A154-E158 PolarHBondContact O-N 3.46Å |
| 155 | A | 62.8 | Low | 62.3 | Low | 62 Ų | 62 | 108.3 Ų | 108.3 | 51% | 0.512 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -64.7 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A151 V152 V157 | A151-A155 WeakPolarHBondContact O-CB 3.49Å; A151-A155 PolarHBondContact O-N 2.89Å; V152-A155 PolarHBondContact O-N 3.3Å; A155-V157 VanDerWaalsContact C-N 3.35Å |
| 156 | G | 59.5 | Low | 62 | Low | 51 Ų | 51 | 107.5 Ų | 107.5 | 53% | 0.526 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -75.4 | -17.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V152 A154 | V152-G156 PolarHBondContact O-N 3.47Å; A154-G156 VanDerWaalsContact C-N 3.34Å; A154-G156 PolarHBondContact O-N 3.38Å |
| 157 | V | 59.1 | Low | 61.9 | Low | 109 Ų | 109 | 104.3 Ų | 104.3 | 66% | 0.661 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -86.3 | -32.9 | 177 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | G153 A154 A155 G160 | G153-V157 VanDerWaalsContact O-CG2 3.27Å; G153-V157 WeakPolarHBondContact O-CG2 3.33Å; G153-V157 PolarHBondContact O-N 3.46Å; A154-V157 PolarHBondContact O-N 3.33Å; A155-V157 VanDerWaalsContact C-N 3.35Å; V157-G160 PolarHBondContact O-N 3.45Å |
| 158 | E | 55.9 | Low | 61.4 | Low | 173 Ų | 173 | 101.6 Ų | 101.6 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.1 | -25.5 | 178.6 | -62 | -126.2 | 150.9 | 0 | 0 | 113.5 | A154 G160 | A154-E158 PolarHBondContact O-N 3.46Å; E158-G160 VanDerWaalsContact C-N 3.29Å; E158-G160 PolarHBondContact O-N 3.46Å |
| 159 | E | 55.8 | Low | 61 | Low | 178 Ų | 178 | 102.3 Ų | 102.3 | 83% | 0.832 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -5.9 | 176.3 | -103.2 | -178.3 | 166.1 | 0 | 0 | 114.1 | ||
| 160 | G | 55.6 | Low | 60.4 | Low | 67 Ų | 67 | 105.1 Ų | 105.1 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -4.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117 | V157 E158 | V157-G160 PolarHBondContact O-N 3.45Å; E158-G160 VanDerWaalsContact C-N 3.29Å; E158-G160 PolarHBondContact O-N 3.46Å |
| 161 | D | 53.4 | Low | 59.8 | Low | 157 Ų | 157 | 108.2 Ų | 108.2 | 84% | 0.84 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -121 | 27.2 | -170.5 | -150.1 | 24.3 | 0 | 0 | 0 | 113.7 | ||
| 162 | S | 54.7 | Low | 58.8 | Low | 110 Ų | 110 | 112.5 Ų | 112.5 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | -116 | 84.4 | 169.4 | 84.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 163 | D | 44.3 | Very low | 57.7 | Low | 237 Ų | 237 | 113.1 Ų | 113.1 | 100% | 1.267 | 71% | 0.71 | S | S | * | * | trans | -141.2 | 0 | 154.9 | -160.2 | 31.8 | 0 | 0 | 0 | 109.7 |
Retrieved 163 of 163 residues in 81.8 ms
(Link to these results)