| 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 | 49.3 | Very low | 59.5 | Low | 213 Ų | 213 | 129.2 Ų | 129.2 | 100% | 1.049 | 60% | 0.598 | S | S | * | * | 0 | -18.9 | 0 | -92.7 | -168.2 | -96.8 | 0 | 0 | 115.1 | S3 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.74Å | |||
| 2 | L | 52.2 | Low | 60.1 | Low | 130 Ų | 130 | 126.7 Ų | 126.7 | 68% | 0.681 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.1 | -28.4 | -177.6 | -71.1 | 159.2 | 0 | 0 | 0 | 114.7 | L4 Y5 L6 | L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.11Å; L2-Y5 PolarHBondContact O-N 2.63Å; L2-L6 WeakPolarHBondContact O-CB 3.09Å; L2-L6 PolarHBondContact O-N 2.95Å; L2-L6 VanDerWaalsContact O-N 3.13Å |
| 3 | S | 62.1 | Low | 60.5 | Low | 72 Ų | 72 | 120.1 Ų | 120.1 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -56.7 | -37.6 | 179.9 | 168.2 | 0 | 0 | 0 | 0 | 114.3 | M1 R7 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.74Å; S3-R7 WeakPolarHBondContact O-CB 3.42Å; S3-R7 WeakPolarHBondContact O-CD 3.49Å; S3-R7 VanDerWaalsContact O-CG 3.23Å; S3-R7 WeakPolarHBondContact O-CG 3.18Å; S3-R7 PolarHBondContact O-N 2.99Å; S3-R7 VanDerWaalsContact O-N 3.11Å |
| 4 | L | 55.8 | Low | 60.7 | Low | 129 Ų | 129 | 117.7 Ų | 117.7 | 68% | 0.675 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.8 | -41 | -177.7 | -73.1 | 170.3 | 0 | 0 | 0 | 112.6 | L2 L6 K8 | L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.11Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-K8 WeakPolarHBondContact O-CB 3.42Å; L4-K8 PolarHBondContact O-N 3.45Å |
| 5 | Y | 58 | Low | 60.6 | Low | 173 Ų | 173 | 118.7 Ų | 118.7 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.9 | -35.7 | 178.4 | -78.7 | -81.2 | 0 | 0 | 0 | 111.8 | L2 K8 W9 | L2-Y5 PolarHBondContact O-N 2.63Å; Y5-K8 PolarHBondContact O-N 2.63Å; Y5-W9 WeakPolarHBondContact O-CB 3.34Å; Y5-W9 PolarHBondContact O-N 3.21Å |
| 6 | L | 58.3 | Low | 60.1 | Low | 62 Ų | 62 | 114.9 Ų | 114.9 | 33% | 0.325 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.6 | -40.3 | 179.6 | -162 | 61.7 | 0 | 0 | 0 | 112.2 | L2 L4 W9 I10 I68 N72 | L2-L6 WeakPolarHBondContact O-CB 3.09Å; L2-L6 PolarHBondContact O-N 2.95Å; L2-L6 VanDerWaalsContact O-N 3.13Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L6-W9 PolarHBondContact O-N 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.45Å; L6-I68 HydrophobicContact CD1-CG2 4.29Å; L6-I68 HydrophobicContact CD2-CG2 4.49Å; L6-I68 HydrophobicContact CG-CG2 4.48Å; L6-N72 WeakPolarHBondContact CD2-ND2 3.35Å; L6-N72 WeakPolarHBondContact CD2-OD1 3.4Å |
| 7 | R | 60 | Low | 59.7 | Low | 175 Ų | 175 | 118.4 Ų | 118.4 | 66% | 0.66 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.7 | -44.9 | 171.4 | -76.8 | 172.6 | 173.8 | -111.4 | -0.4 | 111.5 | S3 W9 I10 E11 | S3-R7 WeakPolarHBondContact O-CB 3.42Å; S3-R7 WeakPolarHBondContact O-CD 3.49Å; S3-R7 VanDerWaalsContact O-CG 3.23Å; S3-R7 WeakPolarHBondContact O-CG 3.18Å; S3-R7 PolarHBondContact O-N 2.99Å; S3-R7 VanDerWaalsContact O-N 3.11Å; R7-W9 VanDerWaalsContact C-N 3.32Å; R7-W9 PolarHBondContact O-N 3.24Å; R7-I10 PolarHBondContact O-N 3.12Å; R7-E11 WeakPolarHBondContact O-CB 3.35Å; R7-E11 PolarHBondContact O-N 3.22Å |
| 8 | K | 62.4 | Low | 59 | Low | 139 Ų | 139 | 121.8 Ų | 121.8 | 60% | 0.604 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.4 | -36.6 | 177.6 | -163.6 | 164.7 | -174.4 | 176 | 0 | 112 | L4 Y5 E11 V12 | L4-K8 WeakPolarHBondContact O-CB 3.42Å; L4-K8 PolarHBondContact O-N 3.45Å; Y5-K8 PolarHBondContact O-N 2.63Å; K8-E11 PolarHBondContact O-N 2.89Å; K8-V12 HydrophobicContact CG-CG2 4.42Å; K8-V12 VanDerWaalsContact O-CB 3.31Å; K8-V12 WeakPolarHBondContact O-CB 3.42Å; K8-V12 WeakPolarHBondContact O-CG2 3.34Å; K8-V12 PolarHBondContact O-N 3.25Å |
| 9 | W | 65.4 | Low | 58.6 | Low | 166 Ų | 166 | 123.3 Ų | 123.3 | 63% | 0.629 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.2 | -43.6 | 173.9 | -105.9 | 90 | 0 | 0 | 0 | 113 | Y5 L6 R7 E11 M13 | Y5-W9 WeakPolarHBondContact O-CB 3.34Å; Y5-W9 PolarHBondContact O-N 3.21Å; L6-W9 PolarHBondContact O-N 3.24Å; R7-W9 VanDerWaalsContact C-N 3.32Å; R7-W9 PolarHBondContact O-N 3.24Å; W9-E11 VanDerWaalsContact C-N 3.33Å; W9-M13 HydrophobicContact CE3-CE 4.11Å; W9-M13 HydrophobicContact CE3-CG 4.27Å; W9-M13 HydrophobicContact CE3-SD 4.27Å; W9-M13 HydrophobicContact CZ3-SD 4.34Å; W9-M13 WeakPolarHBondContact O-CB 3.02Å; W9-M13 WeakPolarHBondContact O-CG 3.28Å; W9-M13 PolarHBondContact O-N 2.99Å |
| 10 | I | 65.3 | Low | 57.6 | Low | 42 Ų | 42 | 123.8 Ų | 123.8 | 22% | 0.215 | 63% | 0.628 | C | S | . | * | H | α-helix | trans | -64.2 | -40.3 | 175.8 | -66.5 | 167 | 0 | 0 | 0 | 110.9 | L6 R7 M13 N14 I68 | L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.45Å; R7-I10 PolarHBondContact O-N 3.12Å; I10-M13 PolarHBondContact O-N 3.48Å; I10-N14 PolarHBondContact O-N 2.88Å; I10-N14 VanDerWaalsContact O-N 3.17Å; I10-N14 PolarHBondContact O-ND2 2.95Å; I10-I68 HydrophobicContact CD1-CG2 4.23Å |
| 11 | E | 65.7 | Low | 56.8 | Low | 120 Ų | 120 | 121.3 Ų | 121.3 | 56% | 0.561 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.2 | -46.1 | 178.2 | -167.6 | 169.5 | -160.6 | 0 | 0 | 111.7 | R7 K8 W9 M13 N14 L15 | R7-E11 WeakPolarHBondContact O-CB 3.35Å; R7-E11 PolarHBondContact O-N 3.22Å; K8-E11 PolarHBondContact O-N 2.89Å; W9-E11 VanDerWaalsContact C-N 3.33Å; E11-M13 VanDerWaalsContact C-N 3.29Å; E11-M13 PolarHBondContact O-N 3.44Å; E11-N14 PolarHBondContact O-N 2.89Å; E11-N14 VanDerWaalsContact O-N 3.07Å; E11-L15 HydrophobicContact CG-CD1 4.18Å; E11-L15 WeakPolarHBondContact O-CB 3.49Å; E11-L15 PolarHBondContact O-N 3.29Å |
| 12 | V | 66.4 | Low | 56.2 | Low | 99 Ų | 99 | 117.2 Ų | 117.2 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -59.2 | -38.5 | 174.9 | 168 | 0 | 0 | 0 | 0 | 111.6 | K8 N14 | K8-V12 HydrophobicContact CG-CG2 4.42Å; K8-V12 VanDerWaalsContact O-CB 3.31Å; K8-V12 WeakPolarHBondContact O-CB 3.42Å; K8-V12 WeakPolarHBondContact O-CG2 3.34Å; K8-V12 PolarHBondContact O-N 3.25Å; V12-N14 VanDerWaalsContact C-N 3.33Å; V12-N14 PolarHBondContact O-N 3.42Å |
| 13 | M | 65 | Low | 56 | Low | 41 Ų | 41 | 116.5 Ų | 116.5 | 20% | 0.202 | 63% | 0.632 | C | S | . | * | H | α-helix | trans | -70.8 | -26.4 | 177 | -74.5 | -157.9 | -77 | 0 | 0 | 113.7 | W9 I10 E11 R61 I68 | W9-M13 HydrophobicContact CE3-CE 4.11Å; W9-M13 HydrophobicContact CE3-CG 4.27Å; W9-M13 HydrophobicContact CE3-SD 4.27Å; W9-M13 HydrophobicContact CZ3-SD 4.34Å; W9-M13 WeakPolarHBondContact O-CB 3.02Å; W9-M13 WeakPolarHBondContact O-CG 3.28Å; W9-M13 PolarHBondContact O-N 2.99Å; I10-M13 PolarHBondContact O-N 3.48Å; E11-M13 VanDerWaalsContact C-N 3.29Å; E11-M13 PolarHBondContact O-N 3.44Å; M13-R61 PolarHBondContact O-NH1 3.02Å; M13-I68 HydrophobicContact CE-CD1 4.34Å |
| 14 | N | 63.7 | Low | 54.9 | Low | 87 Ų | 87 | 121 Ų | 121 | 47% | 0.465 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -88.6 | -25.3 | 178 | -79.4 | -52.8 | 0 | 0 | 0 | 113.8 | I10 E11 V12 G16 | I10-N14 PolarHBondContact O-N 2.88Å; I10-N14 VanDerWaalsContact O-N 3.17Å; I10-N14 PolarHBondContact O-ND2 2.95Å; E11-N14 PolarHBondContact O-N 2.89Å; E11-N14 VanDerWaalsContact O-N 3.07Å; V12-N14 VanDerWaalsContact C-N 3.33Å; V12-N14 PolarHBondContact O-N 3.42Å; N14-G16 VanDerWaalsContact C-N 3.28Å; N14-G16 PolarHBondContact O-N 2.88Å |
| 15 | L | 59.2 | Low | 54 | Low | 133 Ų | 133 | 118.4 Ų | 118.4 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | trans | -73.9 | -9.1 | -177 | -124.1 | 80.3 | 0 | 0 | 0 | 115 | E11 K17 | E11-L15 HydrophobicContact CG-CD1 4.18Å; E11-L15 WeakPolarHBondContact O-CB 3.49Å; E11-L15 PolarHBondContact O-N 3.29Å; L15-K17 PolarHBondContact O-N 3.49Å | ||
| 16 | G | 52.6 | Low | 53.4 | Low | 57 Ų | 57 | 120.6 Ų | 120.6 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 30.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | N14 | N14-G16 VanDerWaalsContact C-N 3.28Å; N14-G16 PolarHBondContact O-N 2.88Å |
| 17 | K | 53.2 | Low | 52.7 | Low | 175 Ų | 175 | 122.9 Ų | 122.9 | 76% | 0.761 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -6.5 | -169.8 | -99.8 | -170.8 | 178.3 | 179.9 | 0 | 115.9 | L15 | L15-K17 PolarHBondContact O-N 3.49Š|
| 18 | E | 47.2 | Very low | 51.8 | Low | 180 Ų | 180 | 123.7 Ų | 123.7 | 84% | 0.841 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -129.9 | 79.3 | -171.4 | -57.4 | -154.5 | 148.8 | 0 | 0 | 113 | ||
| 19 | V | 51 | Low | 50.9 | Low | 149 Ų | 149 | 125.9 Ų | 125.9 | 90% | 0.903 | 71% | 0.711 | S | S | * | * | trans | -173.1 | 95.7 | 142.3 | -98.8 | 0 | 0 | 0 | 0 | 108.1 | G21 | V19-G21 PolarHBondContact O-N 3.35Š| ||
| 20 | S | 38.6 | Very low | 49.8 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 93% | 0.93 | 72% | 0.724 | S | S | * | * | trans | -74.5 | 102.9 | 168.4 | 45.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 21 | G | 41 | Very low | 49 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | -124.8 | 106.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | V19 | V19-G21 PolarHBondContact O-N 3.35Š| ||
| 22 | S | 36.7 | Very low | 48.3 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | -60.4 | 129.4 | 173.2 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 23 | S | 48.2 | Very low | 48.1 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -156.8 | 124 | 146.5 | 79.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 24 | D | 38.4 | Very low | 48 | Very low | 167 Ų | 167 | 143 Ų | 143 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -63.6 | 160.9 | -177.6 | -61.4 | -62.4 | 0 | 0 | 0 | 115 | ||||
| 25 | G | 38.3 | Very low | 47.9 | Very low | 74 Ų | 74 | 143.9 Ų | 143.9 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | 115.5 | 81.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 26 | F | 44.7 | Very low | 48.3 | Very low | 218 Ų | 218 | 143.2 Ų | 143.2 | 96% | 0.956 | 82% | 0.818 | S | S | * | * | trans | -93.7 | 101 | 158.1 | -131.1 | -94.1 | 0 | 0 | 0 | 107.8 | ||||
| 27 | S | 42.9 | Very low | 48.7 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | -93.1 | 122.9 | 172.7 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | K29 | S27-K29 PolarHBondContact O-N 3.5Š| ||
| 28 | E | 41.1 | Very low | 49 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -66.6 | 105.5 | 172.1 | -71.9 | 176 | 143.1 | 0 | 0 | 110.3 | ||||
| 29 | K | 44.4 | Very low | 49.2 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 81% | 0.809 | 82% | 0.819 | S | S | * | * | trans | -158.8 | 112.9 | 151.7 | -127.5 | 178.8 | -179.5 | -175.6 | 0 | 109.8 | S27 E31 | S27-K29 PolarHBondContact O-N 3.5Å; K29-E31 PolarHBondContact O-N 3.44Å; K29-E31 VanDerWaalsContact O-N 3.1Å | ||
| 30 | G | 42.6 | Very low | 49.2 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -69.2 | 99.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 31 | E | 47.9 | Very low | 50.1 | Low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -111.3 | 125.2 | 159.3 | -78 | 179.4 | 161.1 | 0 | 0 | 107.9 | K29 R33 | K29-E31 PolarHBondContact O-N 3.44Å; K29-E31 VanDerWaalsContact O-N 3.1Å; E31-R33 PolarHBondContact O-N 3.23Å | ||
| 32 | N | 51.7 | Low | 50.5 | Low | 172 Ų | 172 | 142.7 Ų | 142.7 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | trans | -55.2 | 108.9 | 177.8 | -65.6 | -60 | 0 | 0 | 0 | 109.7 | E34 | N32-E34 PolarHBondContact O-N 2.91Š| ||
| 33 | R | 61.4 | Low | 51.3 | Low | 239 Ų | 239 | 140.6 Ų | 140.6 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -83.1 | 102.2 | 177.3 | -66.6 | -175.4 | -177.8 | 178 | 2.4 | 109.2 | E31 | E31-R33 PolarHBondContact O-N 3.23Š| ||
| 34 | E | 63.4 | Low | 51.6 | Low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -60.6 | 138.3 | 172.3 | -170.9 | 171.7 | -163.7 | 0 | 0 | 111.4 | N32 V36 | N32-E34 PolarHBondContact O-N 2.91Å; E34-V36 PolarHBondContact O-N 3.16Å | ||
| 35 | V | 60.4 | Low | 52.3 | Low | 105 Ų | 105 | 141.7 Ų | 141.7 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -87.1 | 97.7 | 178 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | F37 | V35-F37 HydrophobicContact CG1-CE2 4.08Å; V35-F37 HydrophobicContact CG1-CZ 4.12Å; V35-F37 PolarHBondContact O-N 3.25Å | ||
| 36 | V | 68.8 | Low | 53 | Low | 118 Ų | 118 | 142.2 Ų | 142.2 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | trans | -82.6 | 112.3 | 173.9 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | E34 | E34-V36 PolarHBondContact O-N 3.16Š| ||
| 37 | F | 60.2 | Low | 53.7 | Low | 177 Ų | 177 | 141.2 Ų | 141.2 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -79.2 | 114.2 | 164.6 | -66.8 | -81.5 | 0 | 0 | 0 | 108 | V35 T39 | V35-F37 HydrophobicContact CG1-CE2 4.08Å; V35-F37 HydrophobicContact CG1-CZ 4.12Å; V35-F37 PolarHBondContact O-N 3.25Å; F37-T39 PolarHBondContact O-N 3.43Å | ||
| 38 | A | 61.1 | Low | 54.5 | Low | 85 Ų | 85 | 146.8 Ų | 146.8 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | -75 | 93.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 39 | T | 51.2 | Low | 55.7 | Low | 122 Ų | 122 | 145.8 Ų | 145.8 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -91.2 | 111.1 | 146.6 | 46.8 | 0 | 0 | 0 | 0 | 106.1 | F37 | F37-T39 PolarHBondContact O-N 3.43Š|
| 40 | D | 50.9 | Low | 56.7 | Low | 165 Ų | 165 | 147.6 Ų | 147.6 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 71 | 75.1 | 171.6 | -47.7 | -35 | 0 | 0 | 0 | 117 | ||
| 41 | A | 57.2 | Low | 57.9 | Low | 78 Ų | 78 | 151.8 Ų | 151.8 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | trans | -127.1 | 130.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 42 | P | 49.3 | Very low | 59.1 | Low | 129 Ų | 129 | 152.9 Ų | 152.9 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -68.6 | 144.1 | -177.3 | 29.3 | -33.4 | 0 | 0 | 0 | 110.9 | D44 | P42-D44 PolarHBondContact O-N 3.32Š| ||
| 43 | A | 52.7 | Low | 60.3 | Low | 84 Ų | 84 | 149.8 Ų | 149.8 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -61 | 80.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 44 | D | 54.6 | Low | 61.1 | Low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | -113.7 | 78.2 | 159.8 | -166.4 | 6 | 0 | 0 | 0 | 110.2 | P42 S46 | P42-D44 PolarHBondContact O-N 3.32Å; D44-S46 VanDerWaalsContact C-N 3.32Å; D44-S46 PolarHBondContact O-N 2.98Å | ||
| 45 | H | 52.6 | Low | 62 | Low | 159 Ų | 159 | 142.9 Ų | 142.9 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | -93.5 | 57.1 | -179.9 | 37.5 | -93.7 | 0 | 0 | 0 | 110.9 | K47 | H45-K47 PolarHBondContact O-N 2.94Š| ||
| 46 | S | 54.3 | Low | 63.3 | Low | 86 Ų | 86 | 143.7 Ų | 143.7 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | trans | -76.4 | 89.5 | 169.2 | -162 | 0 | 0 | 0 | 0 | 111.4 | D44 R48 | D44-S46 VanDerWaalsContact C-N 3.32Å; D44-S46 PolarHBondContact O-N 2.98Å; S46-R48 PolarHBondContact O-N 3.31Å | ||
| 47 | K | 58.4 | Low | 64.3 | Low | 197 Ų | 197 | 142.6 Ų | 142.6 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 73 | 5.6 | 140.5 | -56.3 | -175.2 | -174.5 | 178.5 | 0 | 122.2 | H45 | H45-K47 PolarHBondContact O-N 2.94Š|
| 48 | R | 60.2 | Low | 65.7 | Low | 227 Ų | 227 | 141.9 Ų | 141.9 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | trans | -108.6 | 105.2 | 165 | -108.9 | 179.8 | -69.4 | 161.5 | 0.2 | 111.3 | S46 R50 | S46-R48 PolarHBondContact O-N 3.31Å; R48-R50 VanDerWaalsContact C-N 3.29Å; R48-R50 PolarHBondContact O-N 3.47Å | ||
| 49 | K | 66.9 | Low | 67.1 | Low | 171 Ų | 171 | 146.8 Ų | 146.8 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -60.1 | 94.6 | 164.6 | -66.8 | -174.6 | -179 | -178.6 | 0 | 107.6 | Y51 | K49-Y51 HydrophobicContact CB-CE2 4.04Å; K49-Y51 WeakPolarHBondContact O-CD2 3.26Å; K49-Y51 PolarHBondContact O-N 3.42Å | ||
| 50 | R | 65.2 | Low | 69 | Low | 224 Ų | 224 | 143.7 Ų | 143.7 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | trans | -75.5 | 103.3 | 173 | -70.7 | 175.8 | 66.4 | 168.8 | -0.6 | 106.8 | R48 | R48-R50 VanDerWaalsContact C-N 3.29Å; R48-R50 PolarHBondContact O-N 3.47Å | ||
| 51 | Y | 68.2 | Low | 70.8 | Confident | 175 Ų | 175 | 139 Ų | 139 | 69% | 0.686 | 68% | 0.678 | S | S | * | * | trans | -74.6 | 133.8 | 170.5 | -61.3 | -82.9 | 0 | 0 | 0 | 108.7 | K49 | K49-Y51 HydrophobicContact CB-CE2 4.04Å; K49-Y51 WeakPolarHBondContact O-CD2 3.26Å; K49-Y51 PolarHBondContact O-N 3.42Å | ||
| 52 | L | 72.5 | Confident | 72.3 | Confident | 183 Ų | 183 | 140 Ų | 140 | 96% | 0.958 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -69.9 | -25.6 | 174.3 | -70.3 | 171 | 0 | 0 | 0 | 111.8 | ||
| 53 | T | 76.4 | Confident | 74.2 | Confident | 107 Ų | 107 | 141.5 Ų | 141.5 | 66% | 0.656 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -96.9 | 130.6 | 176.2 | -4.2 | 0 | 0 | 0 | 0 | 110.1 | K55 | T53-K55 PolarHBondContact O-N 2.94Š|
| 54 | A | 78.5 | Confident | 75.9 | Confident | 76 Ų | 76 | 139.9 Ų | 139.9 | 63% | 0.628 | 64% | 0.642 | S | S | * | * | trans | -58.7 | 133.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y56 | A54-Y56 PolarHBondContact O-N 3.31Š| ||
| 55 | K | 83.4 | Confident | 77.5 | Confident | 187 Ų | 187 | 133.6 Ų | 133.6 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | trans | -78.6 | 112.6 | 174.2 | -173.9 | -179.8 | 179 | -178.1 | 0 | 108.6 | T53 | T53-K55 PolarHBondContact O-N 2.94Š| ||
| 56 | Y | 87.5 | Confident | 79.2 | Confident | 123 Ų | 123 | 129.7 Ų | 129.7 | 48% | 0.482 | 59% | 0.592 | S | S | . | * | trans | -70.1 | 138.2 | 173.1 | -66.7 | -65.1 | 0 | 0 | 0 | 111.5 | A54 T60 R61 I64 | A54-Y56 PolarHBondContact O-N 3.31Å; Y56-T60 HydrophobicContact CD1-CG2 3.53Å; Y56-T60 HydrophobicContact CE1-CG2 4.26Å; Y56-T60 HydrophobicContact CG-CG2 4.07Å; Y56-R61 PolarHBondContact O-NE 2.98Å; Y56-I64 HydrophobicContact CD1-CD1 4.18Å; Y56-I64 HydrophobicContact CD2-CD1 3.94Å; Y56-I64 HydrophobicContact CE1-CD1 4.25Å; Y56-I64 HydrophobicContact CE2-CD1 4.02Å; Y56-I64 HydrophobicContact CG-CD1 4.02Å | ||
| 57 | D | 89.2 | Confident | 80.9 | Confident | 95 Ų | 95 | 129.4 Ų | 129.4 | 51% | 0.508 | 58% | 0.58 | S | S | . | * | trans | -57 | 156.3 | 169.2 | -179.6 | 38.6 | 0 | 0 | 0 | 110.5 | R59 T60 R61 | D57-R59 PolarHBondContact O-N 3.17Å; D57-R59 PolarHBondContact OD2-N 2.92Å; D57-T60 PolarHBondContact O-N 3.37Å; D57-T60 VanDerWaalsContact O-N 3.14Å; D57-R61 PolarHBondContact O-N 3.36Å | ||
| 58 | R | 88.9 | Confident | 82.4 | Confident | 161 Ų | 161 | 121.5 Ų | 121.5 | 61% | 0.608 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -50.5 | -44.3 | 176.3 | -179.4 | -178 | 173.1 | -160 | -1.2 | 111.6 | R61 Q62 | R58-R61 PolarHBondContact O-N 3.43Å; R58-Q62 WeakPolarHBondContact O-CG 3.36Å; R58-Q62 PolarHBondContact O-N 3.36Å |
| 59 | R | 90.7 | Very high | 83.9 | Confident | 188 Ų | 188 | 116.7 Ų | 116.7 | 71% | 0.709 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.2 | -45.3 | -179.8 | -65.1 | -179.8 | 178.3 | -174.4 | 0.5 | 111.3 | D57 Q62 K63 | D57-R59 PolarHBondContact O-N 3.17Å; D57-R59 PolarHBondContact OD2-N 2.92Å; R59-Q62 WeakPolarHBondContact O-CB 3.48Å; R59-Q62 PolarHBondContact O-N 2.97Å; R59-K63 PolarHBondContact O-N 2.79Å |
| 60 | T | 90.9 | Very high | 85 | Confident | 58 Ų | 58 | 109.4 Ų | 109.4 | 36% | 0.356 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 178 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | Y56 D57 Q62 K63 I64 | Y56-T60 HydrophobicContact CD1-CG2 3.53Å; Y56-T60 HydrophobicContact CE1-CG2 4.26Å; Y56-T60 HydrophobicContact CG-CG2 4.07Å; D57-T60 PolarHBondContact O-N 3.37Å; D57-T60 VanDerWaalsContact O-N 3.14Å; T60-Q62 VanDerWaalsContact C-N 3.31Å; T60-Q62 PolarHBondContact O-N 3.3Å; T60-K63 PolarHBondContact O-N 3.35Å; T60-I64 HydrophobicContact CG2-CD1 3.88Å; T60-I64 HydrophobicContact CG2-CG1 4.44Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.31Å; T60-I64 PolarHBondContact O-N 3.31Å |
| 61 | R | 88.2 | Confident | 86.1 | Confident | 65 Ų | 65 | 102 Ų | 102 | 25% | 0.245 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 174 | -73.6 | -174.1 | -75.9 | 174.1 | -1.5 | 112.5 | M13 Y56 D57 R58 S65 | M13-R61 PolarHBondContact O-NH1 3.02Å; Y56-R61 PolarHBondContact O-NE 2.98Å; D57-R61 PolarHBondContact O-N 3.36Å; R58-R61 PolarHBondContact O-N 3.43Å; R61-S65 VanDerWaalsContact O-CB 3.3Å; R61-S65 WeakPolarHBondContact O-CB 3.45Å; R61-S65 PolarHBondContact O-N 3.15Å; R61-S65 PolarHBondContact O-OG 3.49Å |
| 62 | Q | 89.7 | Confident | 87.1 | Confident | 101 Ų | 101 | 96.1 Ų | 96.1 | 47% | 0.472 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 176.5 | -74.4 | 174.8 | -37.1 | 0 | 0 | 111.5 | R58 R59 T60 S65 E66 | R58-Q62 WeakPolarHBondContact O-CG 3.36Å; R58-Q62 PolarHBondContact O-N 3.36Å; R59-Q62 WeakPolarHBondContact O-CB 3.48Å; R59-Q62 PolarHBondContact O-N 2.97Å; T60-Q62 VanDerWaalsContact C-N 3.31Å; T60-Q62 PolarHBondContact O-N 3.3Å; Q62-S65 PolarHBondContact O-N 3.32Å; Q62-E66 PolarHBondContact O-N 2.97Å |
| 63 | K | 88.4 | Confident | 88 | Confident | 160 Ų | 160 | 88.8 Ų | 88.8 | 70% | 0.696 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.4 | -49.6 | 176.2 | -71.5 | -173.6 | 176.3 | -170 | 0 | 112.1 | R59 T60 S65 E66 K67 | R59-K63 PolarHBondContact O-N 2.79Å; T60-K63 PolarHBondContact O-N 3.35Å; K63-S65 VanDerWaalsContact C-N 3.3Å; K63-S65 PolarHBondContact O-N 3.04Å; K63-E66 PolarHBondContact O-N 3.48Å; K63-K67 PolarHBondContact O-N 3.29Å |
| 64 | I | 88.1 | Confident | 88.6 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 26% | 0.256 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58 | -45.4 | 176.3 | -67.1 | 166.8 | 0 | 0 | 0 | 110.4 | Y56 T60 E66 K67 I68 | Y56-I64 HydrophobicContact CD1-CD1 4.18Å; Y56-I64 HydrophobicContact CD2-CD1 3.94Å; Y56-I64 HydrophobicContact CE1-CD1 4.25Å; Y56-I64 HydrophobicContact CE2-CD1 4.02Å; Y56-I64 HydrophobicContact CG-CD1 4.02Å; T60-I64 HydrophobicContact CG2-CD1 3.88Å; T60-I64 HydrophobicContact CG2-CG1 4.44Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.31Å; T60-I64 PolarHBondContact O-N 3.31Å; I64-E66 VanDerWaalsContact C-N 3.31Å; I64-E66 PolarHBondContact O-N 3.29Å; I64-K67 PolarHBondContact O-N 3.05Å; I64-I68 HydrophobicContact CG2-CD1 3.7Å; I64-I68 HydrophobicContact CG2-CG1 4.39Å; I64-I68 VanDerWaalsContact O-CG1 3.32Å; I64-I68 WeakPolarHBondContact O-CG1 3.49Å; I64-I68 PolarHBondContact O-N 3.31Å |
| 65 | S | 88.6 | Confident | 89.1 | Confident | 13 Ų | 13 | 85 Ų | 85 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.8 | -31.9 | -180 | -55.1 | 0 | 0 | 0 | 0 | 113 | R61 Q62 K63 R69 | R61-S65 VanDerWaalsContact O-CB 3.3Å; R61-S65 WeakPolarHBondContact O-CB 3.45Å; R61-S65 PolarHBondContact O-N 3.15Å; R61-S65 PolarHBondContact O-OG 3.49Å; Q62-S65 PolarHBondContact O-N 3.32Å; K63-S65 VanDerWaalsContact C-N 3.3Å; K63-S65 PolarHBondContact O-N 3.04Å; S65-R69 WeakPolarHBondContact O-CB 3.27Å; S65-R69 VanDerWaalsContact O-CG 3.3Å; S65-R69 WeakPolarHBondContact O-CG 2.92Å; S65-R69 PolarHBondContact O-N 2.86Å; S65-R69 PolarHBondContact O-NE 2.79Å |
| 66 | E | 89.4 | Confident | 89.3 | Confident | 76 Ų | 76 | 81 Ų | 81 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.2 | -47.8 | 173.3 | -166.1 | 63.3 | -119.8 | 0 | 0 | 110.9 | Q62 K63 I64 I68 R69 L70 | Q62-E66 PolarHBondContact O-N 2.97Å; K63-E66 PolarHBondContact O-N 3.48Å; I64-E66 VanDerWaalsContact C-N 3.31Å; I64-E66 PolarHBondContact O-N 3.29Å; E66-I68 PolarHBondContact O-N 3.04Å; E66-R69 WeakPolarHBondContact O-CB 3.41Å; E66-R69 PolarHBondContact O-N 3.25Å; E66-R69 IonicContact OE1-CZ 2.68Å; E66-R69 IonicContact OE1-NH1 2.98Å; E66-R69 PolarHBondContact OE1-NH1 3.49Å; E66-R69 IonicContact OE1-NH2 3.89Å; E66-R69 IonicContact OE2-CZ 2.63Å; E66-R69 IonicContact OE2-NH1 3.71Å; E66-R69 PolarHBondContact OE2-NH1 3.29Å; E66-R69 IonicContact OE2-NH2 2.79Å; E66-R69 PolarHBondContact OE2-NH2 3.32Å; E66-L70 HydrophobicContact CG-CD1 4.44Å; E66-L70 PolarHBondContact O-N 3.02Å |
| 67 | K | 89.5 | Confident | 89.4 | Confident | 80 Ų | 80 | 77.6 Ų | 77.6 | 35% | 0.348 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.4 | -50.3 | 177.2 | -179.8 | 165.1 | 177.8 | 163.9 | 0 | 111.8 | K63 I64 R69 L70 E71 D96 | K63-K67 PolarHBondContact O-N 3.29Å; I64-K67 PolarHBondContact O-N 3.05Å; K67-R69 VanDerWaalsContact C-N 3.27Å; K67-R69 PolarHBondContact O-N 3.04Å; K67-L70 PolarHBondContact O-N 3.01Å; K67-L70 VanDerWaalsContact O-N 3.13Å; K67-E71 WeakPolarHBondContact CE-OE1 3.41Å; K67-E71 HydrophobicContact CG-CG 4.41Å; K67-E71 WeakPolarHBondContact CG-OE1 3.45Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.24Å; K67-D96 IonicContact NZ-OD1 2.8Å; K67-D96 IonicContact NZ-OD2 2.62Å; K67-D96 PolarHBondContact NZ-OD2 3.04Å |
| 68 | I | 90 | Very high | 89.3 | Confident | 31 Ų | 31 | 73.3 Ų | 73.3 | 16% | 0.159 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 176.7 | -66.9 | 167.8 | 0 | 0 | 0 | 111.5 | L6 I10 M13 I64 E66 N72 | L6-I68 HydrophobicContact CD1-CG2 4.29Å; L6-I68 HydrophobicContact CD2-CG2 4.49Å; L6-I68 HydrophobicContact CG-CG2 4.48Å; I10-I68 HydrophobicContact CD1-CG2 4.23Å; M13-I68 HydrophobicContact CE-CD1 4.34Å; I64-I68 HydrophobicContact CG2-CD1 3.7Å; I64-I68 HydrophobicContact CG2-CG1 4.39Å; I64-I68 VanDerWaalsContact O-CG1 3.32Å; I64-I68 WeakPolarHBondContact O-CG1 3.49Å; I64-I68 PolarHBondContact O-N 3.31Å; E66-I68 PolarHBondContact O-N 3.04Å; I68-N72 WeakPolarHBondContact O-CB 3.39Å; I68-N72 PolarHBondContact O-N 3.47Å; I68-N72 PolarHBondContact O-ND2 3.31Å |
| 69 | R | 90.5 | Very high | 89.2 | Confident | 127 Ų | 127 | 69 Ų | 69 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 178.3 | -83.6 | 179.9 | -77.2 | 143.5 | -4.2 | 112 | S65 E66 K67 F73 | S65-R69 WeakPolarHBondContact O-CB 3.27Å; S65-R69 VanDerWaalsContact O-CG 3.3Å; S65-R69 WeakPolarHBondContact O-CG 2.92Å; S65-R69 PolarHBondContact O-N 2.86Å; S65-R69 PolarHBondContact O-NE 2.79Å; E66-R69 WeakPolarHBondContact O-CB 3.41Å; E66-R69 PolarHBondContact O-N 3.25Å; E66-R69 IonicContact OE1-CZ 2.68Å; E66-R69 IonicContact OE1-NH1 2.98Å; E66-R69 PolarHBondContact OE1-NH1 3.49Å; E66-R69 IonicContact OE1-NH2 3.89Å; E66-R69 IonicContact OE2-CZ 2.63Å; E66-R69 IonicContact OE2-NH1 3.71Å; E66-R69 PolarHBondContact OE2-NH1 3.29Å; E66-R69 IonicContact OE2-NH2 2.79Å; E66-R69 PolarHBondContact OE2-NH2 3.32Å; K67-R69 VanDerWaalsContact C-N 3.27Å; K67-R69 PolarHBondContact O-N 3.04Å; R69-F73 PolarHBondContact O-N 3.14Å; R69-F73 VanDerWaalsContact O-N 3.15Å |
| 70 | L | 90.4 | Very high | 89 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70 | -43.9 | 177.3 | -67.3 | 173.8 | 0 | 0 | 0 | 111.8 | E66 K67 N72 F73 V74 L95 K135 L136 | E66-L70 HydrophobicContact CG-CD1 4.44Å; E66-L70 PolarHBondContact O-N 3.02Å; K67-L70 PolarHBondContact O-N 3.01Å; K67-L70 VanDerWaalsContact O-N 3.13Å; L70-N72 PolarHBondContact O-N 3.48Å; L70-F73 WeakPolarHBondContact O-CB 3.08Å; L70-F73 PolarHBondContact O-N 3.45Å; L70-F73 VanDerWaalsContact O-N 3.12Å; L70-V74 PolarHBondContact O-N 2.94Å; L70-L95 HydrophobicContact CB-CD1 3.49Å; L70-L95 VanDerWaalsContact CB-CD1 3.49Å; L70-K135 HydrophobicContact CD2-CB 3.49Å; L70-K135 VanDerWaalsContact CD2-CB 3.49Å; L70-K135 HydrophobicContact CD2-CD 4.48Å; L70-L136 HydrophobicContact CD1-CD2 3.95Å |
| 71 | E | 89.3 | Confident | 88.7 | Confident | 67 Ų | 67 | 63 Ų | 63 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57 | -50.1 | 176 | -74.5 | 175.7 | -172.8 | 0 | 0 | 110.8 | K67 F73 V74 F75 L95 | K67-E71 WeakPolarHBondContact CE-OE1 3.41Å; K67-E71 HydrophobicContact CG-CG 4.41Å; K67-E71 WeakPolarHBondContact CG-OE1 3.45Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.24Å; E71-F73 VanDerWaalsContact C-N 3.26Å; E71-F73 PolarHBondContact O-N 3.25Å; E71-V74 PolarHBondContact O-N 3.43Å; E71-V74 VanDerWaalsContact O-N 3.09Å; E71-F75 HydrophobicContact CB-CD2 4.35Å; E71-F75 HydrophobicContact CB-CE2 4.13Å; E71-F75 WeakPolarHBondContact O-CD2 3.31Å; E71-F75 PolarHBondContact O-N 2.87Å; E71-L95 HydrophobicContact CB-CD1 4.5Å; E71-L95 HydrophobicContact CG-CD1 3.8Å |
| 72 | N | 88.7 | Confident | 88.6 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58 | -39.6 | 176.2 | -71.5 | -28.9 | 0 | 0 | 0 | 112.7 | L6 I68 L70 V74 F75 E76 | L6-N72 WeakPolarHBondContact CD2-ND2 3.35Å; L6-N72 WeakPolarHBondContact CD2-OD1 3.4Å; I68-N72 WeakPolarHBondContact O-CB 3.39Å; I68-N72 PolarHBondContact O-N 3.47Å; I68-N72 PolarHBondContact O-ND2 3.31Å; L70-N72 PolarHBondContact O-N 3.48Å; N72-V74 VanDerWaalsContact C-N 3.32Å; N72-V74 PolarHBondContact O-N 3.48Å; N72-F75 PolarHBondContact O-N 3.49Å; N72-E76 WeakPolarHBondContact O-CB 3.35Å; N72-E76 VanDerWaalsContact O-CG 3.23Å; N72-E76 WeakPolarHBondContact O-CG 3.47Å; N72-E76 PolarHBondContact O-N 3.02Å |
| 73 | F | 91 | Very high | 88.2 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 177.6 | 170.7 | -93.1 | 0 | 0 | 0 | 111.4 | R69 L70 E71 H77 F128 N131 L132 K135 | R69-F73 PolarHBondContact O-N 3.14Å; R69-F73 VanDerWaalsContact O-N 3.15Å; L70-F73 WeakPolarHBondContact O-CB 3.08Å; L70-F73 PolarHBondContact O-N 3.45Å; L70-F73 VanDerWaalsContact O-N 3.12Å; E71-F73 VanDerWaalsContact C-N 3.26Å; E71-F73 PolarHBondContact O-N 3.25Å; F73-H77 AromaticContact CD2-CE1 3.57Å; F73-H77 AromaticContact CD2-ND1 3.73Å; F73-H77 AromaticContact CE2-CE1 3.01Å; F73-H77 WeakPolarHBondContact CE2-CE1 3.36Å; F73-H77 AromaticContact CE2-ND1 3.49Å; F73-H77 WeakPolarHBondContact CE2-ND1 3.28Å; F73-H77 AromaticContact CE2-NE2 3.52Å; F73-H77 AromaticContact CZ-CD2 3.99Å; F73-H77 AromaticContact CZ-CE1 3.47Å; F73-H77 VanDerWaalsContact CZ-CE1 3.47Å; F73-H77 WeakPolarHBondContact CZ-CE1 3.48Å; F73-H77 AromaticContact CZ-ND1 3.72Å; F73-H77 AromaticContact CZ-NE2 3.6Å; F73-H77 PolarHBondContact O-N 3.13Å; F73-H77 PolarHBondContact O-ND1 3.35Å; F73-F128 HydrophobicContact CE1-CD2 4.28Å; F73-F128 HydrophobicContact CE1-CE2 4.02Å; F73-N131 HydrophobicContact CE1-CB 4.42Å; F73-N131 HydrophobicContact CE2-CB 4.41Å; F73-N131 HydrophobicContact CZ-CB 3.6Å; F73-L132 HydrophobicContact CD1-CD1 4.02Å; F73-L132 HydrophobicContact CE1-CB 4.07Å; F73-L132 HydrophobicContact CE1-CD1 4.15Å; F73-K135 HydrophobicContact CB-CD 4.24Å; F73-K135 HydrophobicContact CD1-CD 3.85Å; F73-K135 HydrophobicContact CD2-CD 3.62Å; F73-K135 HydrophobicContact CE1-CD 4.13Å; F73-K135 HydrophobicContact CE2-CD 3.86Å; F73-K135 VanDerWaalsContact CE2-CE 3.48Å; F73-K135 HydrophobicContact CG-CD 3.6Å; F73-K135 HydrophobicContact CZ-CD 4.15Å |
| 74 | V | 90.1 | Very high | 87.8 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -50.2 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 111 | L70 E71 N72 E76 H77 L78 I93 L95 F128 L132 | L70-V74 PolarHBondContact O-N 2.94Å; E71-V74 PolarHBondContact O-N 3.43Å; E71-V74 VanDerWaalsContact O-N 3.09Å; N72-V74 VanDerWaalsContact C-N 3.32Å; N72-V74 PolarHBondContact O-N 3.48Å; V74-E76 PolarHBondContact O-N 3.4Å; V74-H77 PolarHBondContact O-N 3.15Å; V74-H77 VanDerWaalsContact O-N 3.15Å; V74-L78 HydrophobicContact CG1-CD1 3.71Å; V74-L78 HydrophobicContact CG1-CG 4.09Å; V74-L78 WeakPolarHBondContact O-CG 3.14Å; V74-L78 PolarHBondContact O-N 2.84Å; V74-I93 HydrophobicContact CG1-CB 4.47Å; V74-I93 HydrophobicContact CG1-CD1 4.14Å; V74-L95 HydrophobicContact CG2-CD2 4Å; V74-F128 HydrophobicContact CG1-CZ 4.17Å; V74-F128 HydrophobicContact CG2-CE2 4.45Å; V74-F128 HydrophobicContact CG2-CZ 4.19Å; V74-L132 HydrophobicContact CG2-CD1 3.72Å; V74-L132 HydrophobicContact CG2-CD2 4.21Å |
| 75 | F | 88.1 | Confident | 87.3 | Confident | 94 Ų | 94 | 63.3 Ų | 63.3 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.2 | -46.3 | -179.9 | -74.2 | -62.4 | 0 | 0 | 0 | 112.9 | E71 N72 H77 L78 R79 | E71-F75 HydrophobicContact CB-CD2 4.35Å; E71-F75 HydrophobicContact CB-CE2 4.13Å; E71-F75 WeakPolarHBondContact O-CD2 3.31Å; E71-F75 PolarHBondContact O-N 2.87Å; N72-F75 PolarHBondContact O-N 3.49Å; F75-H77 VanDerWaalsContact C-N 3.3Å; F75-H77 PolarHBondContact O-N 3.09Å; F75-L78 PolarHBondContact O-N 3.01Å; F75-R79 WeakPolarHBondContact O-CG 3.4Å; F75-R79 PolarHBondContact O-N 3.34Å |
| 76 | E | 88.4 | Confident | 86.9 | Confident | 103 Ų | 103 | 66.9 Ų | 66.9 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 178.2 | -68.3 | -71.2 | 143.9 | 0 | 0 | 112 | N72 V74 N80 | N72-E76 WeakPolarHBondContact O-CB 3.35Å; N72-E76 VanDerWaalsContact O-CG 3.23Å; N72-E76 WeakPolarHBondContact O-CG 3.47Å; N72-E76 PolarHBondContact O-N 3.02Å; V74-E76 PolarHBondContact O-N 3.4Å; E76-N80 VanDerWaalsContact O-CG 3.25Å; E76-N80 PolarHBondContact O-N 3.06Å; E76-N80 PolarHBondContact O-ND2 3.33Å |
| 77 | H | 88.3 | Confident | 86.4 | Confident | 51 Ų | 51 | 67 Ų | 67 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -75.5 | -37.4 | 176.8 | -78.4 | 63.9 | 0 | 0 | 0 | 112.7 | F73 V74 F75 R79 N80 L81 F128 | F73-H77 AromaticContact CD2-CE1 3.57Å; F73-H77 AromaticContact CD2-ND1 3.73Å; F73-H77 AromaticContact CE2-CE1 3.01Å; F73-H77 WeakPolarHBondContact CE2-CE1 3.36Å; F73-H77 AromaticContact CE2-ND1 3.49Å; F73-H77 WeakPolarHBondContact CE2-ND1 3.28Å; F73-H77 AromaticContact CE2-NE2 3.52Å; F73-H77 AromaticContact CZ-CD2 3.99Å; F73-H77 AromaticContact CZ-CE1 3.47Å; F73-H77 VanDerWaalsContact CZ-CE1 3.47Å; F73-H77 WeakPolarHBondContact CZ-CE1 3.48Å; F73-H77 AromaticContact CZ-ND1 3.72Å; F73-H77 AromaticContact CZ-NE2 3.6Å; F73-H77 PolarHBondContact O-N 3.13Å; F73-H77 PolarHBondContact O-ND1 3.35Å; V74-H77 PolarHBondContact O-N 3.15Å; V74-H77 VanDerWaalsContact O-N 3.15Å; F75-H77 VanDerWaalsContact C-N 3.3Å; F75-H77 PolarHBondContact O-N 3.09Å; H77-R79 VanDerWaalsContact C-N 3.34Å; H77-N80 WeakPolarHBondContact O-CB 3.49Å; H77-N80 PolarHBondContact O-N 2.87Å; H77-N80 VanDerWaalsContact O-N 3.15Å; H77-L81 WeakPolarHBondContact O-CG 3.5Å; H77-L81 PolarHBondContact O-N 3.04Å; H77-F128 HydrophobicContact CB-CD2 3.36Å; H77-F128 HydrophobicContact CB-CE2 3.51Å; H77-F128 HydrophobicContact CB-CG 4.39Å; H77-F128 AromaticContact CD2-CD2 3.79Å; H77-F128 AromaticContact CG-CD2 3.7Å |
| 78 | L | 87.6 | Confident | 85.9 | Confident | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.1 | -72.5 | 176.4 | 0 | 0 | 0 | 111.2 | V74 F75 N80 L81 Y82 Y89 I93 L115 | V74-L78 HydrophobicContact CG1-CD1 3.71Å; V74-L78 HydrophobicContact CG1-CG 4.09Å; V74-L78 WeakPolarHBondContact O-CG 3.14Å; V74-L78 PolarHBondContact O-N 2.84Å; F75-L78 PolarHBondContact O-N 3.01Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.32Å; L78-L81 HydrophobicContact CD2-CD1 4.47Å; L78-L81 PolarHBondContact O-N 2.82Å; L78-L81 VanDerWaalsContact O-N 3.13Å; L78-Y82 HydrophobicContact CD2-CD2 4.48Å; L78-Y82 HydrophobicContact CD2-CE2 4.18Å; L78-Y82 WeakPolarHBondContact O-CD2 3.42Å; L78-Y82 PolarHBondContact O-N 2.88Å; L78-Y89 HydrophobicContact CB-CD2 3.85Å; L78-Y89 HydrophobicContact CB-CE1 4.35Å; L78-Y89 HydrophobicContact CB-CE2 3.58Å; L78-Y89 HydrophobicContact CB-CG 4.33Å; L78-Y89 HydrophobicContact CD1-CD2 3.75Å; L78-Y89 HydrophobicContact CD1-CE2 4.18Å; L78-Y89 HydrophobicContact CD1-CG 4.38Å; L78-Y89 HydrophobicContact CG-CD2 4.39Å; L78-I93 HydrophobicContact CD1-CD1 4.23Å; L78-I93 HydrophobicContact CD2-CD1 4.18Å; L78-L115 HydrophobicContact CD2-CD2 4Å |
| 79 | R | 86.7 | Confident | 85.4 | Confident | 69 Ų | 69 | 68.7 Ų | 68.7 | 26% | 0.26 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -54.3 | -43.6 | 170.9 | -75.4 | 175.6 | 176.4 | -173.6 | -7.3 | 112.4 | F75 H77 C83 T84 D87 Y89 | F75-R79 WeakPolarHBondContact O-CG 3.4Å; F75-R79 PolarHBondContact O-N 3.34Å; H77-R79 VanDerWaalsContact C-N 3.34Å; R79-C83 WeakPolarHBondContact O-CA 3.32Å; R79-C83 PolarHBondContact O-N 2.93Å; R79-T84 PolarHBondContact O-N 3.18Å; R79-D87 IonicContact CZ-OD1 3.27Å; R79-D87 VanDerWaalsContact CZ-OD1 3.27Å; R79-D87 IonicContact CZ-OD2 3.79Å; R79-D87 IonicContact NE-OD1 2.77Å; R79-D87 PolarHBondContact NE-OD1 3.3Å; R79-D87 VanDerWaalsContact NH2-CG 3.31Å; R79-D87 IonicContact NH2-OD1 3Å; R79-D87 PolarHBondContact NH2-OD1 2.68Å; R79-D87 IonicContact NH2-OD2 2.79Å; R79-D87 PolarHBondContact NH2-OD2 3.02Å; R79-Y89 VanDerWaalsContact CA-OH 3.31Å; R79-Y89 WeakPolarHBondContact CA-OH 3.01Å; R79-Y89 WeakPolarHBondContact CG-OH 3.34Å; R79-Y89 PolarHBondContact N-OH 3.15Å |
| 80 | N | 86.4 | Confident | 85 | Confident | 109 Ų | 109 | 68.7 Ų | 68.7 | 58% | 0.583 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.9 | -36.9 | 178 | -67.2 | -17.7 | 0 | 0 | 0 | 112.8 | E76 H77 L78 | E76-N80 VanDerWaalsContact O-CG 3.25Å; E76-N80 PolarHBondContact O-N 3.06Å; E76-N80 PolarHBondContact O-ND2 3.33Å; H77-N80 WeakPolarHBondContact O-CB 3.49Å; H77-N80 PolarHBondContact O-N 2.87Å; H77-N80 VanDerWaalsContact O-N 3.15Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.32Å |
| 81 | L | 86 | Confident | 84.6 | Confident | 12 Ų | 12 | 68.8 Ų | 68.8 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.7 | -42.5 | 180 | -72.9 | 170.9 | 0 | 0 | 0 | 112.3 | H77 L78 C83 A120 Q124 I125 F128 | H77-L81 WeakPolarHBondContact O-CG 3.5Å; H77-L81 PolarHBondContact O-N 3.04Å; L78-L81 HydrophobicContact CD2-CD1 4.47Å; L78-L81 PolarHBondContact O-N 2.82Å; L78-L81 VanDerWaalsContact O-N 3.13Å; L81-C83 VanDerWaalsContact C-N 3.32Å; L81-A120 HydrophobicContact CB-CB 4.11Å; L81-A120 HydrophobicContact CD2-CB 3.59Å; L81-A120 HydrophobicContact CG-CB 4.45Å; L81-Q124 HydrophobicContact CD2-CB 3.65Å; L81-I125 HydrophobicContact CD2-CG1 4.43Å; L81-F128 HydrophobicContact CD1-CB 4.16Å; L81-F128 HydrophobicContact CD1-CD1 4.15Å; L81-F128 HydrophobicContact CD1-CG 4.07Å |
| 82 | Y | 84.5 | Confident | 84.3 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 13% | 0.133 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -85.9 | -2.9 | 179.1 | -78.3 | -94.6 | 0 | 0 | 0 | 113.4 | L78 T84 Y89 C118 P119 | L78-Y82 HydrophobicContact CD2-CD2 4.48Å; L78-Y82 HydrophobicContact CD2-CE2 4.18Å; L78-Y82 WeakPolarHBondContact O-CD2 3.42Å; L78-Y82 PolarHBondContact O-N 2.88Å; Y82-T84 PolarHBondContact O-N 3.32Å; Y82-T84 PolarHBondContact O-OG1 3.36Å; Y82-Y89 HydrophobicContact CD1-CD1 4.04Å; Y82-Y89 AromaticContact CD2-CD1 3.4Å; Y82-Y89 HydrophobicContact CD2-CD1 3.4Å; Y82-Y89 VanDerWaalsContact CD2-CD1 3.4Å; Y82-Y89 AromaticContact CD2-CE1 3.82Å; Y82-Y89 HydrophobicContact CD2-CE1 3.82Å; Y82-Y89 HydrophobicContact CD2-CG 4.22Å; Y82-Y89 HydrophobicContact CE1-CD1 4.42Å; Y82-Y89 AromaticContact CE2-CD1 3.85Å; Y82-Y89 HydrophobicContact CE2-CD1 3.85Å; Y82-Y89 HydrophobicContact CE2-CG 4.3Å; Y82-Y89 AromaticContact CG-CD1 3.51Å; Y82-Y89 HydrophobicContact CG-CD1 3.51Å; Y82-Y89 AromaticContact CG-CE1 3.78Å; Y82-Y89 HydrophobicContact CG-CE1 3.78Å; Y82-C118 HydrophobicContact CE2-CB 4.21Å; Y82-P119 HydrophobicContact CD1-CG 4.08Å; Y82-P119 HydrophobicContact CE1-CG 4.41Å |
| 83 | C | 82.7 | Confident | 84.3 | Confident | 117 Ų | 117 | 69.8 Ų | 69.8 | 79% | 0.791 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 32.1 | -177 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | R79 L81 | R79-C83 WeakPolarHBondContact O-CA 3.32Å; R79-C83 PolarHBondContact O-N 2.93Å; L81-C83 VanDerWaalsContact C-N 3.32Å |
| 84 | T | 79.9 | Confident | 84.1 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | trans | -133.9 | 133.6 | -170 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | R79 Y82 V86 | R79-T84 PolarHBondContact O-N 3.18Å; Y82-T84 PolarHBondContact O-N 3.32Å; Y82-T84 PolarHBondContact O-OG1 3.36Å; T84-V86 VanDerWaalsContact C-N 3.32Å; T84-V86 HydrophobicContact CG2-CB 3.73Å; T84-V86 HydrophobicContact CG2-CG2 4.11Å | ||
| 85 | E | 77 | Confident | 84 | Confident | 179 Ų | 179 | 72.6 Ų | 72.6 | 84% | 0.836 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -80.4 | -17.3 | 176.8 | -62.4 | -169 | 172.5 | 0 | 0 | 113.1 | ||
| 86 | V | 81 | Confident | 84 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -76.6 | 133.3 | 173.1 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | T84 D88 Y89 | T84-V86 VanDerWaalsContact C-N 3.32Å; T84-V86 HydrophobicContact CG2-CB 3.73Å; T84-V86 HydrophobicContact CG2-CG2 4.11Å; V86-D88 HydrophobicContact CG1-CB 3.82Å; V86-D88 PolarHBondContact O-N 3.33Å; V86-D88 VanDerWaalsContact O-N 3.15Å; V86-Y89 PolarHBondContact O-OH 3.13Å |
| 87 | D | 79.2 | Confident | 84 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | trans | -87 | 48 | 178.5 | -58.2 | -41.8 | 0 | 0 | 0 | 110 | R79 Y89 | R79-D87 IonicContact CZ-OD1 3.27Å; R79-D87 VanDerWaalsContact CZ-OD1 3.27Å; R79-D87 IonicContact CZ-OD2 3.79Å; R79-D87 IonicContact NE-OD1 2.77Å; R79-D87 PolarHBondContact NE-OD1 3.3Å; R79-D87 VanDerWaalsContact NH2-CG 3.31Å; R79-D87 IonicContact NH2-OD1 3Å; R79-D87 PolarHBondContact NH2-OD1 2.68Å; R79-D87 IonicContact NH2-OD2 2.79Å; R79-D87 PolarHBondContact NH2-OD2 3.02Å; D87-Y89 HydrophobicContact CB-CE2 4.22Å; D87-Y89 PolarHBondContact OD1-OH 2.97Å | ||
| 88 | D | 78.1 | Confident | 84.1 | Confident | 113 Ų | 113 | 69 Ų | 69 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | trans | -100.3 | 49.5 | -178.9 | 63.5 | -24 | 0 | 0 | 0 | 112.2 | V86 | V86-D88 HydrophobicContact CG1-CB 3.82Å; V86-D88 PolarHBondContact O-N 3.33Å; V86-D88 VanDerWaalsContact O-N 3.15Å | ||
| 89 | Y | 80.6 | Confident | 84 | Confident | 32 Ų | 32 | 71.6 Ų | 71.6 | 13% | 0.125 | 38% | 0.383 | C | S | . | . | trans | -78.2 | 134.6 | -178.6 | -48 | -51.6 | 0 | 0 | 0 | 111.8 | L78 R79 Y82 V86 D87 C91 | L78-Y89 HydrophobicContact CB-CD2 3.85Å; L78-Y89 HydrophobicContact CB-CE1 4.35Å; L78-Y89 HydrophobicContact CB-CE2 3.58Å; L78-Y89 HydrophobicContact CB-CG 4.33Å; L78-Y89 HydrophobicContact CD1-CD2 3.75Å; L78-Y89 HydrophobicContact CD1-CE2 4.18Å; L78-Y89 HydrophobicContact CD1-CG 4.38Å; L78-Y89 HydrophobicContact CG-CD2 4.39Å; R79-Y89 VanDerWaalsContact CA-OH 3.31Å; R79-Y89 WeakPolarHBondContact CA-OH 3.01Å; R79-Y89 WeakPolarHBondContact CG-OH 3.34Å; R79-Y89 PolarHBondContact N-OH 3.15Å; Y82-Y89 HydrophobicContact CD1-CD1 4.04Å; Y82-Y89 AromaticContact CD2-CD1 3.4Å; Y82-Y89 HydrophobicContact CD2-CD1 3.4Å; Y82-Y89 VanDerWaalsContact CD2-CD1 3.4Å; Y82-Y89 AromaticContact CD2-CE1 3.82Å; Y82-Y89 HydrophobicContact CD2-CE1 3.82Å; Y82-Y89 HydrophobicContact CD2-CG 4.22Å; Y82-Y89 HydrophobicContact CE1-CD1 4.42Å; Y82-Y89 AromaticContact CE2-CD1 3.85Å; Y82-Y89 HydrophobicContact CE2-CD1 3.85Å; Y82-Y89 HydrophobicContact CE2-CG 4.3Å; Y82-Y89 AromaticContact CG-CD1 3.51Å; Y82-Y89 HydrophobicContact CG-CD1 3.51Å; Y82-Y89 AromaticContact CG-CE1 3.78Å; Y82-Y89 HydrophobicContact CG-CE1 3.78Å; V86-Y89 PolarHBondContact O-OH 3.13Å; D87-Y89 HydrophobicContact CB-CE2 4.22Å; D87-Y89 PolarHBondContact OD1-OH 2.97Å; Y89-C91 PolarHBondContact O-N 2.89Å | ||
| 90 | D | 80.6 | Confident | 84.1 | Confident | 128 Ų | 128 | 74.6 Ų | 74.6 | 68% | 0.684 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -78.7 | 25.3 | 174.8 | -159.8 | 28.4 | 0 | 0 | 0 | 112.5 | S117 | D90-S117 PolarHBondContact OD2-OG 3.28Š|
| 91 | C | 82.5 | Confident | 84.3 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 14% | 0.135 | 39% | 0.388 | C | S | . | . | trans | -137.3 | 133.6 | -178.6 | 69.1 | 0 | 0 | 0 | 0 | 110.8 | Y89 K114 | Y89-C91 PolarHBondContact O-N 2.89Å; C91-K114 WeakPolarHBondContact CB-O 3.37Å | ||
| 92 | D | 83.9 | Confident | 84.3 | Confident | 118 Ų | 118 | 80.4 Ų | 80.4 | 63% | 0.631 | 43% | 0.426 | S | S | * | . | trans | -112.6 | 103.4 | 179.6 | -164.8 | 3.4 | 0 | 0 | 0 | 110.7 | K114 | D92-K114 VanDerWaalsContact O-CD 3.25Å; D92-K114 WeakPolarHBondContact O-CD 3.3Å; D92-K114 WeakPolarHBondContact O-CE 3.08Å; D92-K114 PolarHBondContact O-NZ 3.36Å | ||
| 93 | I | 87 | Confident | 84.6 | Confident | 22 Ų | 22 | 82 Ų | 82 | 11% | 0.113 | 44% | 0.439 | C | S | . | . | trans | -101.5 | 91.8 | -172.5 | -55.4 | -178 | 0 | 0 | 0 | 110.4 | V74 L78 L95 I98 L111 L115 F128 | V74-I93 HydrophobicContact CG1-CB 4.47Å; V74-I93 HydrophobicContact CG1-CD1 4.14Å; L78-I93 HydrophobicContact CD1-CD1 4.23Å; L78-I93 HydrophobicContact CD2-CD1 4.18Å; I93-L95 PolarHBondContact O-N 3.4Å; I93-I98 HydrophobicContact CG2-CD1 3.56Å; I93-L111 HydrophobicContact CG2-CD2 3.98Å; I93-L115 HydrophobicContact CD1-CD2 4.11Å; I93-F128 HydrophobicContact CD1-CE1 4.33Å; I93-F128 HydrophobicContact CD1-CZ 4.48Å | ||
| 94 | D | 88.2 | Confident | 84.9 | Confident | 82 Ų | 82 | 80 Ų | 80 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | trans | -75.3 | 109.6 | 171 | -70.7 | -51.8 | 0 | 0 | 0 | 112.7 | D96 E97 I98 | D94-D96 VanDerWaalsContact C-N 3.34Å; D94-D96 PolarHBondContact O-N 3.31Å; D94-E97 HydrophobicContact CB-CB 3.69Å; D94-E97 PolarHBondContact O-N 2.96Å; D94-I98 WeakPolarHBondContact O-CD1 3.24Å; D94-I98 VanDerWaalsContact O-CG1 3.32Å; D94-I98 WeakPolarHBondContact O-CG1 3.22Å; D94-I98 PolarHBondContact O-N 3.04Å; D94-I98 VanDerWaalsContact O-N 3.14Å | ||
| 95 | L | 87.9 | Confident | 85.4 | Confident | 16 Ų | 16 | 83 Ų | 83 | 8% | 0.084 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.2 | -33.9 | 177.6 | -67.8 | -179.7 | 0 | 0 | 0 | 113.3 | L70 E71 V74 I93 I98 S99 L132 | L70-L95 HydrophobicContact CB-CD1 3.49Å; L70-L95 VanDerWaalsContact CB-CD1 3.49Å; E71-L95 HydrophobicContact CB-CD1 4.5Å; E71-L95 HydrophobicContact CG-CD1 3.8Å; V74-L95 HydrophobicContact CG2-CD2 4Å; I93-L95 PolarHBondContact O-N 3.4Å; L95-I98 PolarHBondContact O-N 3.28Å; L95-S99 VanDerWaalsContact O-CB 3.24Å; L95-S99 WeakPolarHBondContact O-CB 3.48Å; L95-S99 PolarHBondContact O-N 3.46Å; L95-L132 HydrophobicContact CD2-CD1 4.1Å |
| 96 | D | 87.4 | Confident | 86.1 | Confident | 91 Ų | 91 | 78.8 Ų | 78.8 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 178.2 | -64.9 | -40.4 | 0 | 0 | 0 | 109.9 | K67 D94 I98 S99 D100 | K67-D96 IonicContact NZ-OD1 2.8Å; K67-D96 IonicContact NZ-OD2 2.62Å; K67-D96 PolarHBondContact NZ-OD2 3.04Å; D94-D96 VanDerWaalsContact C-N 3.34Å; D94-D96 PolarHBondContact O-N 3.31Å; D96-I98 PolarHBondContact O-N 2.92Å; D96-S99 WeakPolarHBondContact O-CB 3.25Å; D96-S99 PolarHBondContact O-N 3.44Å; D96-D100 VanDerWaalsContact O-CG 3.27Å; D96-D100 PolarHBondContact O-N 2.62Å |
| 97 | E | 88.7 | Confident | 86.7 | Confident | 81 Ų | 81 | 75.7 Ų | 75.7 | 38% | 0.379 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.5 | -48 | 174.9 | -168.8 | -163.8 | 168.6 | 0 | 0 | 111.3 | D94 S99 D100 L101 N110 K114 | D94-E97 HydrophobicContact CB-CB 3.69Å; D94-E97 PolarHBondContact O-N 2.96Å; E97-S99 VanDerWaalsContact C-N 3.32Å; E97-S99 PolarHBondContact O-N 3.32Å; E97-D100 PolarHBondContact O-N 2.8Å; E97-L101 PolarHBondContact O-N 2.91Å; E97-N110 PolarHBondContact OE1-ND2 3Å; E97-K114 IonicContact OE2-NZ 3.36Å; E97-K114 PolarHBondContact OE2-NZ 3.46Å |
| 98 | I | 89.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.6 | -34.3 | 179.6 | -62.1 | 160.4 | 0 | 0 | 0 | 111.4 | I93 D94 L95 D96 D100 K107 L111 L136 | I93-I98 HydrophobicContact CG2-CD1 3.56Å; D94-I98 WeakPolarHBondContact O-CD1 3.24Å; D94-I98 VanDerWaalsContact O-CG1 3.32Å; D94-I98 WeakPolarHBondContact O-CG1 3.22Å; D94-I98 PolarHBondContact O-N 3.04Å; D94-I98 VanDerWaalsContact O-N 3.14Å; L95-I98 PolarHBondContact O-N 3.28Å; D96-I98 PolarHBondContact O-N 2.92Å; I98-D100 VanDerWaalsContact C-N 3.35Å; I98-K107 HydrophobicContact CG2-CB 4Å; I98-K107 HydrophobicContact CG2-CD 4.16Å; I98-K107 HydrophobicContact CG2-CG 4.01Å; I98-K107 VanDerWaalsContact O-CD 3.31Å; I98-K107 WeakPolarHBondContact O-CD 3.4Å; I98-K107 WeakPolarHBondContact O-CE 3.07Å; I98-K107 WeakPolarHBondContact O-CG 3.42Å; I98-K107 PolarHBondContact O-NZ 3.12Å; I98-L111 HydrophobicContact CD1-CD2 3.54Å; I98-L111 HydrophobicContact CD1-CG 3.97Å; I98-L111 HydrophobicContact CG2-CD1 4.47Å; I98-L136 HydrophobicContact CG2-CD1 3.8Å |
| 99 | S | 86.6 | Confident | 87.9 | Confident | 60 Ų | 60 | 77 Ų | 77 | 42% | 0.42 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 176.2 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | L95 D96 E97 L101 K107 | L95-S99 VanDerWaalsContact O-CB 3.24Å; L95-S99 WeakPolarHBondContact O-CB 3.48Å; L95-S99 PolarHBondContact O-N 3.46Å; D96-S99 WeakPolarHBondContact O-CB 3.25Å; D96-S99 PolarHBondContact O-N 3.44Å; E97-S99 VanDerWaalsContact C-N 3.32Å; E97-S99 PolarHBondContact O-N 3.32Å; S99-L101 VanDerWaalsContact C-N 3.29Å; S99-L101 PolarHBondContact O-N 2.93Å; S99-K107 PolarHBondContact O-NZ 3.39Å |
| 100 | D | 88.8 | Confident | 88.4 | Confident | 132 Ų | 132 | 77.1 Ų | 77.1 | 71% | 0.706 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -71 | -19.2 | -176 | -72.4 | -16.3 | 0 | 0 | 0 | 114.1 | D96 E97 I98 | D96-D100 VanDerWaalsContact O-CG 3.27Å; D96-D100 PolarHBondContact O-N 2.62Å; E97-D100 PolarHBondContact O-N 2.8Å; I98-D100 VanDerWaalsContact C-N 3.35Å |
| 101 | L | 90.3 | Very high | 88.9 | Confident | 46 Ų | 46 | 71 Ų | 71 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | trans | -62.7 | 138.8 | 173.7 | -66.4 | 173.7 | 0 | 0 | 0 | 111.6 | E97 S99 E106 K107 N110 | E97-L101 PolarHBondContact O-N 2.91Å; S99-L101 VanDerWaalsContact C-N 3.29Å; S99-L101 PolarHBondContact O-N 2.93Å; L101-E106 HydrophobicContact CB-CB 4.47Å; L101-E106 HydrophobicContact CD1-CB 4.39Å; L101-E106 HydrophobicContact CD2-CB 4.48Å; L101-K107 HydrophobicContact CB-CG 3.71Å; L101-K107 HydrophobicContact CD1-CB 4.46Å; L101-K107 HydrophobicContact CD1-CG 4.01Å; L101-K107 HydrophobicContact CG-CG 4.5Å; L101-K107 WeakPolarHBondContact O-CE 3.4Å; L101-K107 PolarHBondContact O-NZ 3.28Å; L101-N110 HydrophobicContact CD1-CB 4.06Å | ||
| 102 | K | 86.1 | Confident | 89.2 | Confident | 198 Ų | 198 | 73.5 Ų | 73.5 | 86% | 0.861 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -79.9 | -37.3 | -170.5 | -67 | 179 | -177.4 | 174.4 | 0 | 112.9 | ||
| 103 | T | 90.4 | Very high | 89.5 | Confident | 67 Ų | 67 | 72.9 Ų | 72.9 | 41% | 0.411 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -115.7 | 140.3 | -172.2 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | D105 E106 K107 | T103-D105 HydrophobicContact CG2-CB 4.13Å; T103-D105 PolarHBondContact O-N 3.03Å; T103-E106 WeakPolarHBondContact O-CB 3.41Å; T103-E106 PolarHBondContact O-N 3.01Å; T103-E106 VanDerWaalsContact O-N 3.12Å; T103-K107 PolarHBondContact O-N 2.94Å |
| 104 | N | 89.8 | Confident | 89.6 | Confident | 75 Ų | 75 | 74 Ų | 74 | 40% | 0.401 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.9 | -33.9 | 177.3 | -69.3 | -35.8 | 0 | 0 | 0 | 112.2 | E106 K107 V108 | N104-E106 VanDerWaalsContact C-N 3.34Å; N104-E106 PolarHBondContact O-N 3.15Å; N104-K107 WeakPolarHBondContact O-CB 3.31Å; N104-K107 PolarHBondContact O-N 3.27Å; N104-V108 WeakPolarHBondContact O-CG2 3.46Å; N104-V108 PolarHBondContact O-N 3.15Å |
| 105 | D | 90.5 | Very high | 89.5 | Confident | 115 Ų | 115 | 70.2 Ų | 70.2 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.2 | -36.7 | 178.2 | -60 | -23.5 | 0 | 0 | 0 | 112.7 | T103 R109 | T103-D105 HydrophobicContact CG2-CB 4.13Å; T103-D105 PolarHBondContact O-N 3.03Å; D105-R109 WeakPolarHBondContact O-CB 3.38Å; D105-R109 PolarHBondContact O-N 3.03Å |
| 106 | E | 91.3 | Very high | 89.3 | Confident | 92 Ų | 92 | 76.1 Ų | 76.1 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 174.1 | -64.5 | 176.4 | 156.1 | 0 | 0 | 110.5 | L101 T103 N104 R109 N110 | L101-E106 HydrophobicContact CB-CB 4.47Å; L101-E106 HydrophobicContact CD1-CB 4.39Å; L101-E106 HydrophobicContact CD2-CB 4.48Å; T103-E106 WeakPolarHBondContact O-CB 3.41Å; T103-E106 PolarHBondContact O-N 3.01Å; T103-E106 VanDerWaalsContact O-N 3.12Å; N104-E106 VanDerWaalsContact C-N 3.34Å; N104-E106 PolarHBondContact O-N 3.15Å; E106-R109 PolarHBondContact O-N 3.4Å; E106-N110 WeakPolarHBondContact O-CB 3.49Å; E106-N110 PolarHBondContact O-N 3.39Å |
| 107 | K | 92.5 | Very high | 89 | Confident | 23 Ų | 23 | 75 Ų | 75 | 10% | 0.1 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 176.2 | -60.3 | -177.4 | -173 | -142.1 | 0 | 111.5 | I98 S99 L101 T103 N104 R109 L111 L133 | I98-K107 HydrophobicContact CG2-CB 4Å; I98-K107 HydrophobicContact CG2-CD 4.16Å; I98-K107 HydrophobicContact CG2-CG 4.01Å; I98-K107 VanDerWaalsContact O-CD 3.31Å; I98-K107 WeakPolarHBondContact O-CD 3.4Å; I98-K107 WeakPolarHBondContact O-CE 3.07Å; I98-K107 WeakPolarHBondContact O-CG 3.42Å; I98-K107 PolarHBondContact O-NZ 3.12Å; S99-K107 PolarHBondContact O-NZ 3.39Å; L101-K107 HydrophobicContact CB-CG 3.71Å; L101-K107 HydrophobicContact CD1-CB 4.46Å; L101-K107 HydrophobicContact CD1-CG 4.01Å; L101-K107 HydrophobicContact CG-CG 4.5Å; L101-K107 WeakPolarHBondContact O-CE 3.4Å; L101-K107 PolarHBondContact O-NZ 3.28Å; T103-K107 PolarHBondContact O-N 2.94Å; N104-K107 WeakPolarHBondContact O-CB 3.31Å; N104-K107 PolarHBondContact O-N 3.27Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.2Å; K107-L111 WeakPolarHBondContact O-CB 2.91Å; K107-L111 WeakPolarHBondContact O-CG 3.43Å; K107-L111 PolarHBondContact O-N 2.77Å; K107-L133 HydrophobicContact CB-CD2 3.6Å; K107-L133 HydrophobicContact CD-CD2 3.84Å; K107-L133 HydrophobicContact CG-CD2 4.33Å |
| 108 | V | 91.9 | Very high | 88.7 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 26% | 0.255 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | N104 L111 K112 I129 L133 | N104-V108 WeakPolarHBondContact O-CG2 3.46Å; N104-V108 PolarHBondContact O-N 3.15Å; V108-L111 PolarHBondContact O-N 3.14Å; V108-K112 HydrophobicContact CG1-CD 4.13Å; V108-K112 HydrophobicContact CG1-CG 4.31Å; V108-K112 WeakPolarHBondContact O-CB 3.38Å; V108-K112 WeakPolarHBondContact O-CG 2.94Å; V108-K112 PolarHBondContact O-N 3.22Å; V108-I129 HydrophobicContact CB-CG2 4.4Å; V108-I129 HydrophobicContact CG1-CG2 4.32Å; V108-I129 HydrophobicContact CG2-CG2 4.01Å; V108-L133 HydrophobicContact CG2-CD1 3.45Å; V108-L133 VanDerWaalsContact CG2-CD1 3.45Å |
| 109 | R | 91.5 | Very high | 88.4 | Confident | 176 Ų | 176 | 76.7 Ų | 76.7 | 66% | 0.664 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.3 | -47.3 | -177.7 | -162 | -175.9 | -59.4 | 175.9 | 2.4 | 111.5 | D105 E106 K107 L111 K112 E113 | D105-R109 WeakPolarHBondContact O-CB 3.38Å; D105-R109 PolarHBondContact O-N 3.03Å; E106-R109 PolarHBondContact O-N 3.4Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.2Å; R109-L111 PolarHBondContact O-N 2.97Å; R109-K112 PolarHBondContact O-N 3.39Å; R109-E113 WeakPolarHBondContact O-CG 3.3Å; R109-E113 PolarHBondContact O-N 2.79Å |
| 110 | N | 90.8 | Very high | 88.2 | Confident | 35 Ų | 35 | 74.7 Ų | 74.7 | 19% | 0.187 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 177.5 | -176.9 | -75 | 0 | 0 | 0 | 111.3 | E97 L101 E106 K112 E113 K114 | E97-N110 PolarHBondContact OE1-ND2 3Å; L101-N110 HydrophobicContact CD1-CB 4.06Å; E106-N110 WeakPolarHBondContact O-CB 3.49Å; E106-N110 PolarHBondContact O-N 3.39Å; N110-K112 PolarHBondContact O-N 2.99Å; N110-E113 PolarHBondContact O-N 2.96Å; N110-K114 WeakPolarHBondContact O-CG 3.42Å; N110-K114 PolarHBondContact O-N 3.37Å; N110-K114 WeakPolarHBondContact OD1-CE 3.23Å |
| 111 | L | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 176.2 | -78.9 | 166.4 | 0 | 0 | 0 | 112.7 | I93 I98 K107 V108 R109 E113 K114 L115 I129 L132 | I93-L111 HydrophobicContact CG2-CD2 3.98Å; I98-L111 HydrophobicContact CD1-CD2 3.54Å; I98-L111 HydrophobicContact CD1-CG 3.97Å; I98-L111 HydrophobicContact CG2-CD1 4.47Å; K107-L111 WeakPolarHBondContact O-CB 2.91Å; K107-L111 WeakPolarHBondContact O-CG 3.43Å; K107-L111 PolarHBondContact O-N 2.77Å; V108-L111 PolarHBondContact O-N 3.14Å; R109-L111 PolarHBondContact O-N 2.97Å; L111-E113 VanDerWaalsContact C-N 3.34Å; L111-E113 PolarHBondContact O-N 3.11Å; L111-K114 PolarHBondContact O-N 3.24Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.29Å; L111-L115 PolarHBondContact O-N 3.25Å; L111-I129 HydrophobicContact CB-CD1 4.07Å; L111-I129 HydrophobicContact CB-CG1 3.99Å; L111-I129 HydrophobicContact CD1-CG1 4.35Å; L111-I129 HydrophobicContact CD1-CG2 4.02Å; L111-L132 HydrophobicContact CD1-CD2 3.88Å; L111-L132 HydrophobicContact CD2-CD2 3.84Å |
| 112 | K | 90.4 | Very high | 87.9 | Confident | 73 Ų | 73 | 78.3 Ų | 78.3 | 32% | 0.317 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 176.3 | -76.4 | -168.7 | 178.8 | -150 | 0 | 111.6 | V108 R109 N110 L115 K116 D126 I129 | V108-K112 HydrophobicContact CG1-CD 4.13Å; V108-K112 HydrophobicContact CG1-CG 4.31Å; V108-K112 WeakPolarHBondContact O-CB 3.38Å; V108-K112 WeakPolarHBondContact O-CG 2.94Å; V108-K112 PolarHBondContact O-N 3.22Å; R109-K112 PolarHBondContact O-N 3.39Å; N110-K112 PolarHBondContact O-N 2.99Å; K112-L115 CarbonylContact O-C 3.59Å; K112-L115 PolarHBondContact O-N 2.68Å; K112-K116 VanDerWaalsContact O-CG 3.27Å; K112-K116 WeakPolarHBondContact O-CG 3.36Å; K112-K116 PolarHBondContact O-N 3.22Å; K112-K116 VanDerWaalsContact O-N 3.15Å; K112-D126 WeakPolarHBondContact CE-OD1 3.49Å; K112-D126 IonicContact NZ-OD1 2.74Å; K112-D126 PolarHBondContact NZ-OD1 2.88Å; K112-D126 IonicContact NZ-OD2 3.55Å; K112-I129 HydrophobicContact CG-CD1 3.53Å |
| 113 | E | 90.2 | Very high | 88.1 | Confident | 104 Ų | 104 | 76.2 Ų | 76.2 | 49% | 0.486 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 175.5 | -70.1 | -61 | 136.8 | 0 | 0 | 111.8 | R109 N110 L111 L115 K116 | R109-E113 WeakPolarHBondContact O-CG 3.3Å; R109-E113 PolarHBondContact O-N 2.79Å; N110-E113 PolarHBondContact O-N 2.96Å; L111-E113 VanDerWaalsContact C-N 3.34Å; L111-E113 PolarHBondContact O-N 3.11Å; E113-L115 VanDerWaalsContact C-N 3.27Å; E113-L115 PolarHBondContact O-N 3.37Å; E113-K116 WeakPolarHBondContact O-CG 3.23Å; E113-K116 PolarHBondContact O-N 3.33Å; E113-K116 WeakPolarHBondContact OE1-CE 3.32Å; E113-K116 IonicContact OE1-NZ 3.98Å; E113-K116 PolarHBondContact OE1-NZ 2.89Å; E113-K116 WeakPolarHBondContact OE2-CE 3.5Å; E113-K116 IonicContact OE2-NZ 2.63Å; E113-K116 PolarHBondContact OE2-NZ 3.17Å |
| 114 | K | 88.5 | Confident | 88.1 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 20% | 0.204 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.1 | -32.4 | 178.2 | -69.5 | -177.8 | 173.3 | -162.4 | 0 | 112.5 | C91 D92 E97 N110 L111 | C91-K114 WeakPolarHBondContact CB-O 3.37Å; D92-K114 VanDerWaalsContact O-CD 3.25Å; D92-K114 WeakPolarHBondContact O-CD 3.3Å; D92-K114 WeakPolarHBondContact O-CE 3.08Å; D92-K114 PolarHBondContact O-NZ 3.36Å; E97-K114 IonicContact OE2-NZ 3.36Å; E97-K114 PolarHBondContact OE2-NZ 3.46Å; N110-K114 WeakPolarHBondContact O-CG 3.42Å; N110-K114 PolarHBondContact O-N 3.37Å; N110-K114 WeakPolarHBondContact OD1-CE 3.23Å; L111-K114 PolarHBondContact O-N 3.24Å |
| 115 | L | 86.7 | Confident | 88 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 6.6 | -178.8 | -65 | 171.2 | 0 | 0 | 0 | 114.5 | L78 I93 L111 K112 E113 S117 C118 I125 F128 I129 | L78-L115 HydrophobicContact CD2-CD2 4Å; I93-L115 HydrophobicContact CD1-CD2 4.11Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.29Å; L111-L115 PolarHBondContact O-N 3.25Å; K112-L115 CarbonylContact O-C 3.59Å; K112-L115 PolarHBondContact O-N 2.68Å; E113-L115 VanDerWaalsContact C-N 3.27Å; E113-L115 PolarHBondContact O-N 3.37Å; L115-S117 PolarHBondContact O-N 3.48Å; L115-C118 WeakPolarHBondContact O-CB 3.17Å; L115-C118 PolarHBondContact O-N 3.07Å; L115-I125 HydrophobicContact CB-CG2 4.14Å; L115-I125 HydrophobicContact CD1-CG2 3.87Å; L115-F128 HydrophobicContact CD1-CD1 3.68Å; L115-F128 HydrophobicContact CD1-CE1 3.78Å; L115-I129 HydrophobicContact CD1-CD1 4.34Å; L115-I129 HydrophobicContact CD1-CG1 4.21Å |
| 116 | K | 83.3 | Confident | 88.1 | Confident | 139 Ų | 139 | 70.9 Ų | 70.9 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.7 | 179.2 | -75.6 | -176.7 | 174.9 | 174.6 | 0 | 113.9 | K112 E113 C118 | K112-K116 VanDerWaalsContact O-CG 3.27Å; K112-K116 WeakPolarHBondContact O-CG 3.36Å; K112-K116 PolarHBondContact O-N 3.22Å; K112-K116 VanDerWaalsContact O-N 3.15Å; E113-K116 WeakPolarHBondContact O-CG 3.23Å; E113-K116 PolarHBondContact O-N 3.33Å; E113-K116 WeakPolarHBondContact OE1-CE 3.32Å; E113-K116 IonicContact OE1-NZ 3.98Å; E113-K116 PolarHBondContact OE1-NZ 2.89Å; E113-K116 WeakPolarHBondContact OE2-CE 3.5Å; E113-K116 IonicContact OE2-NZ 2.63Å; E113-K116 PolarHBondContact OE2-NZ 3.17Å; K116-C118 PolarHBondContact O-N 3.34Å |
| 117 | S | 81.4 | Confident | 88.1 | Confident | 69 Ų | 69 | 72.1 Ų | 72.1 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -6.1 | 178.4 | -159.9 | 0 | 0 | 0 | 0 | 112.5 | D90 L115 | D90-S117 PolarHBondContact OD2-OG 3.28Å; L115-S117 PolarHBondContact O-N 3.48Å |
| 118 | C | 82.5 | Confident | 88.1 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 10% | 0.095 | 35% | 0.345 | C | S | . | . | trans | -72.6 | 132.4 | -175.2 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | Y82 L115 K116 A120 I125 | Y82-C118 HydrophobicContact CE2-CB 4.21Å; L115-C118 WeakPolarHBondContact O-CB 3.17Å; L115-C118 PolarHBondContact O-N 3.07Å; K116-C118 PolarHBondContact O-N 3.34Å; C118-A120 PolarHBondContact O-N 3.45Å; C118-I125 HydrophobicContact CB-CD1 4.16Å | ||
| 119 | P | 81.9 | Confident | 88.1 | Confident | 102 Ų | 102 | 69.2 Ų | 69.2 | 66% | 0.662 | 33% | 0.334 | S | S | * | . | trans | -75.9 | -4 | 179.2 | 31.3 | -36.5 | 0 | 0 | 0 | 114.2 | Y82 | Y82-P119 HydrophobicContact CD1-CG 4.08Å; Y82-P119 HydrophobicContact CE1-CG 4.41Å | ||
| 120 | A | 81.9 | Confident | 88.1 | Confident | 18 Ų | 18 | 66.5 Ų | 66.5 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -72.7 | 164.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L81 C118 I125 | L81-A120 HydrophobicContact CB-CB 4.11Å; L81-A120 HydrophobicContact CD2-CB 3.59Å; L81-A120 HydrophobicContact CG-CB 4.45Å; C118-A120 PolarHBondContact O-N 3.45Å; A120-I125 HydrophobicContact CB-CD1 4.5Å; A120-I125 HydrophobicContact CB-CG1 4.22Å |
| 121 | K | 88 | Confident | 88.2 | Confident | 148 Ų | 148 | 66.4 Ų | 66.4 | 64% | 0.643 | 33% | 0.328 | S | S | * | . | trans | -66.9 | 143.8 | 174 | -64.4 | -179.2 | -178.8 | 178.4 | 0 | 110.5 | E123 Q124 I125 | K121-E123 PolarHBondContact O-N 3.45Å; K121-E123 VanDerWaalsContact O-N 3.11Å; K121-Q124 HydrophobicContact CB-CG 4.31Å; K121-Q124 PolarHBondContact O-N 2.92Å; K121-I125 PolarHBondContact O-N 3.29Å; K121-I125 VanDerWaalsContact O-N 3.17Å | ||
| 122 | Q | 86.6 | Confident | 88.2 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.5 | -34.8 | 177.6 | -171.8 | 61.5 | 47.7 | 0 | 0 | 112.9 | Q124 I125 D126 | Q122-Q124 PolarHBondContact O-N 3.02Å; Q122-I125 PolarHBondContact O-N 2.87Å; Q122-D126 PolarHBondContact NE2-OD1 3.04Å; Q122-D126 WeakPolarHBondContact O-CB 3.45Å; Q122-D126 PolarHBondContact O-N 2.93Å |
| 123 | E | 89.5 | Confident | 88.2 | Confident | 154 Ų | 154 | 63.8 Ų | 63.8 | 72% | 0.72 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61 | -42.8 | 176.3 | -64.4 | 175.5 | 176.3 | 0 | 0 | 112.5 | K121 D126 E127 | K121-E123 PolarHBondContact O-N 3.45Å; K121-E123 VanDerWaalsContact O-N 3.11Å; E123-D126 PolarHBondContact O-N 3.46Å; E123-E127 WeakPolarHBondContact O-CB 3.49Å; E123-E127 PolarHBondContact O-N 3.13Å |
| 124 | Q | 89.4 | Confident | 88.2 | Confident | 90 Ų | 90 | 66 Ų | 66 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.1 | -37 | 179.2 | -62.3 | 176.5 | -66.9 | 0 | 0 | 111.2 | L81 K121 Q122 F128 | L81-Q124 HydrophobicContact CD2-CB 3.65Å; K121-Q124 HydrophobicContact CB-CG 4.31Å; K121-Q124 PolarHBondContact O-N 2.92Å; Q122-Q124 PolarHBondContact O-N 3.02Å; Q124-F128 WeakPolarHBondContact O-CB 3.39Å; Q124-F128 PolarHBondContact O-N 3.27Å |
| 125 | I | 89.4 | Confident | 88.2 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 5% | 0.046 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 174.6 | -63.6 | 172.2 | 0 | 0 | 0 | 110 | L81 L115 C118 A120 K121 Q122 E127 F128 I129 | L81-I125 HydrophobicContact CD2-CG1 4.43Å; L115-I125 HydrophobicContact CB-CG2 4.14Å; L115-I125 HydrophobicContact CD1-CG2 3.87Å; C118-I125 HydrophobicContact CB-CD1 4.16Å; A120-I125 HydrophobicContact CB-CD1 4.5Å; A120-I125 HydrophobicContact CB-CG1 4.22Å; K121-I125 PolarHBondContact O-N 3.29Å; K121-I125 VanDerWaalsContact O-N 3.17Å; Q122-I125 PolarHBondContact O-N 2.87Å; I125-E127 PolarHBondContact O-N 3.02Å; I125-F128 WeakPolarHBondContact O-CB 3.37Å; I125-F128 PolarHBondContact O-N 3.44Å; I125-I129 HydrophobicContact CG2-CD1 3.92Å; I125-I129 VanDerWaalsContact O-CG1 3.26Å; I125-I129 WeakPolarHBondContact O-CG1 3.31Å; I125-I129 PolarHBondContact O-N 3.3Å |
| 126 | D | 90.9 | Very high | 88.2 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 179.1 | -74.7 | -13.1 | 0 | 0 | 0 | 111.7 | K112 Q122 E123 I129 Q130 | K112-D126 WeakPolarHBondContact CE-OD1 3.49Å; K112-D126 IonicContact NZ-OD1 2.74Å; K112-D126 PolarHBondContact NZ-OD1 2.88Å; K112-D126 IonicContact NZ-OD2 3.55Å; Q122-D126 PolarHBondContact NE2-OD1 3.04Å; Q122-D126 WeakPolarHBondContact O-CB 3.45Å; Q122-D126 PolarHBondContact O-N 2.93Å; E123-D126 PolarHBondContact O-N 3.46Å; D126-I129 PolarHBondContact O-N 2.83Å; D126-Q130 VanDerWaalsContact O-CG 3.31Å; D126-Q130 WeakPolarHBondContact O-CG 3.47Å; D126-Q130 PolarHBondContact O-N 3.39Å |
| 127 | E | 92.3 | Very high | 87.9 | Confident | 117 Ų | 117 | 73.5 Ų | 73.5 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 173 | -177.8 | 178.2 | -176.7 | 0 | 0 | 111.8 | E123 I125 I129 Q130 N131 | E123-E127 WeakPolarHBondContact O-CB 3.49Å; E123-E127 PolarHBondContact O-N 3.13Å; I125-E127 PolarHBondContact O-N 3.02Å; E127-I129 PolarHBondContact O-N 3.32Å; E127-Q130 PolarHBondContact O-N 3.3Å; E127-N131 WeakPolarHBondContact O-CB 3.13Å; E127-N131 PolarHBondContact O-N 3.23Å; E127-N131 PolarHBondContact O-ND2 3.37Å |
| 128 | F | 91.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.009 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57 | -49.4 | 175.8 | 167.1 | -111.9 | 0 | 0 | 0 | 111.5 | F73 V74 H77 L81 I93 L115 Q124 I125 Q130 N131 L132 | F73-F128 HydrophobicContact CE1-CD2 4.28Å; F73-F128 HydrophobicContact CE1-CE2 4.02Å; V74-F128 HydrophobicContact CG1-CZ 4.17Å; V74-F128 HydrophobicContact CG2-CE2 4.45Å; V74-F128 HydrophobicContact CG2-CZ 4.19Å; H77-F128 HydrophobicContact CB-CD2 3.36Å; H77-F128 HydrophobicContact CB-CE2 3.51Å; H77-F128 HydrophobicContact CB-CG 4.39Å; H77-F128 AromaticContact CD2-CD2 3.79Å; H77-F128 AromaticContact CG-CD2 3.7Å; L81-F128 HydrophobicContact CD1-CB 4.16Å; L81-F128 HydrophobicContact CD1-CD1 4.15Å; L81-F128 HydrophobicContact CD1-CG 4.07Å; I93-F128 HydrophobicContact CD1-CE1 4.33Å; I93-F128 HydrophobicContact CD1-CZ 4.48Å; L115-F128 HydrophobicContact CD1-CD1 3.68Å; L115-F128 HydrophobicContact CD1-CE1 3.78Å; Q124-F128 WeakPolarHBondContact O-CB 3.39Å; Q124-F128 PolarHBondContact O-N 3.27Å; I125-F128 WeakPolarHBondContact O-CB 3.37Å; I125-F128 PolarHBondContact O-N 3.44Å; F128-Q130 PolarHBondContact O-N 3.24Å; F128-N131 PolarHBondContact O-N 2.84Å; F128-L132 HydrophobicContact CE1-CD2 4.32Å; F128-L132 HydrophobicContact CZ-CD2 3.99Å; F128-L132 WeakPolarHBondContact O-CB 3.37Å; F128-L132 PolarHBondContact O-N 3.36Å |
| 129 | I | 92 | Very high | 88.6 | Confident | 3 Ų | 3 | 76.9 Ų | 76.9 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 179.4 | -68.1 | 170.3 | 0 | 0 | 0 | 110.5 | V108 L111 K112 L115 I125 D126 E127 N131 L132 L133 | V108-I129 HydrophobicContact CB-CG2 4.4Å; V108-I129 HydrophobicContact CG1-CG2 4.32Å; V108-I129 HydrophobicContact CG2-CG2 4.01Å; L111-I129 HydrophobicContact CB-CD1 4.07Å; L111-I129 HydrophobicContact CB-CG1 3.99Å; L111-I129 HydrophobicContact CD1-CG1 4.35Å; L111-I129 HydrophobicContact CD1-CG2 4.02Å; K112-I129 HydrophobicContact CG-CD1 3.53Å; L115-I129 HydrophobicContact CD1-CD1 4.34Å; L115-I129 HydrophobicContact CD1-CG1 4.21Å; I125-I129 HydrophobicContact CG2-CD1 3.92Å; I125-I129 VanDerWaalsContact O-CG1 3.26Å; I125-I129 WeakPolarHBondContact O-CG1 3.31Å; I125-I129 PolarHBondContact O-N 3.3Å; D126-I129 PolarHBondContact O-N 2.83Å; E127-I129 PolarHBondContact O-N 3.32Å; I129-N131 VanDerWaalsContact C-N 3.35Å; I129-N131 PolarHBondContact O-N 3.28Å; I129-L132 PolarHBondContact O-N 2.92Å; I129-L133 HydrophobicContact CG2-CD1 3.94Å; I129-L133 HydrophobicContact CG2-CG 4.39Å; I129-L133 WeakPolarHBondContact O-CB 3.49Å; I129-L133 VanDerWaalsContact O-CG 3.28Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.33Å |
| 130 | Q | 92.5 | Very high | 88.9 | Confident | 118 Ų | 118 | 75.5 Ų | 75.5 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64 | -38.1 | 178.6 | -72.3 | -179 | 18.6 | 0 | 0 | 112.9 | D126 E127 F128 R134 | D126-Q130 VanDerWaalsContact O-CG 3.31Å; D126-Q130 WeakPolarHBondContact O-CG 3.47Å; D126-Q130 PolarHBondContact O-N 3.39Å; E127-Q130 PolarHBondContact O-N 3.3Å; F128-Q130 PolarHBondContact O-N 3.24Å; Q130-R134 WeakPolarHBondContact O-CG 3.37Å; Q130-R134 PolarHBondContact O-N 3.1Å; Q130-R134 VanDerWaalsContact O-N 3.16Å; Q130-R134 PolarHBondContact O-NE 3.04Å |
| 131 | N | 92.8 | Very high | 89.3 | Confident | 34 Ų | 34 | 78.9 Ų | 78.9 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 175.8 | -77.1 | -34.8 | 0 | 0 | 0 | 111.7 | F73 E127 F128 I129 R134 K135 | F73-N131 HydrophobicContact CE1-CB 4.42Å; F73-N131 HydrophobicContact CE2-CB 4.41Å; F73-N131 HydrophobicContact CZ-CB 3.6Å; E127-N131 WeakPolarHBondContact O-CB 3.13Å; E127-N131 PolarHBondContact O-N 3.23Å; E127-N131 PolarHBondContact O-ND2 3.37Å; F128-N131 PolarHBondContact O-N 2.84Å; I129-N131 VanDerWaalsContact C-N 3.35Å; I129-N131 PolarHBondContact O-N 3.28Å; N131-R134 PolarHBondContact O-N 3.45Å; N131-R134 PolarHBondContact OD1-NH2 2.99Å; N131-K135 PolarHBondContact O-N 3.32Å |
| 132 | L | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 176.7 | -176.8 | 57.4 | 0 | 0 | 0 | 111.4 | F73 V74 L95 L111 F128 I129 R134 K135 L136 | F73-L132 HydrophobicContact CD1-CD1 4.02Å; F73-L132 HydrophobicContact CE1-CB 4.07Å; F73-L132 HydrophobicContact CE1-CD1 4.15Å; V74-L132 HydrophobicContact CG2-CD1 3.72Å; V74-L132 HydrophobicContact CG2-CD2 4.21Å; L95-L132 HydrophobicContact CD2-CD1 4.1Å; L111-L132 HydrophobicContact CD1-CD2 3.88Å; L111-L132 HydrophobicContact CD2-CD2 3.84Å; F128-L132 HydrophobicContact CE1-CD2 4.32Å; F128-L132 HydrophobicContact CZ-CD2 3.99Å; F128-L132 WeakPolarHBondContact O-CB 3.37Å; F128-L132 PolarHBondContact O-N 3.36Å; I129-L132 PolarHBondContact O-N 2.92Å; L132-R134 VanDerWaalsContact C-N 3.26Å; L132-R134 PolarHBondContact O-N 3.25Å; L132-K135 PolarHBondContact O-N 3.01Å; L132-L136 HydrophobicContact CD1-CD1 4.41Å; L132-L136 HydrophobicContact CG-CD1 4.07Å; L132-L136 PolarHBondContact O-N 2.85Å |
| 133 | L | 90.5 | Very high | 89.6 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.4 | -30.4 | 177.3 | -69.1 | 175.4 | 0 | 0 | 0 | 113.2 | K107 V108 I129 K135 L136 | K107-L133 HydrophobicContact CB-CD2 3.6Å; K107-L133 HydrophobicContact CD-CD2 3.84Å; K107-L133 HydrophobicContact CG-CD2 4.33Å; V108-L133 HydrophobicContact CG2-CD1 3.45Å; V108-L133 VanDerWaalsContact CG2-CD1 3.45Å; I129-L133 HydrophobicContact CG2-CD1 3.94Å; I129-L133 HydrophobicContact CG2-CG 4.39Å; I129-L133 WeakPolarHBondContact O-CB 3.49Å; I129-L133 VanDerWaalsContact O-CG 3.28Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.33Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-L136 HydrophobicContact CD2-CD1 4.41Å |
| 134 | R | 90.2 | Very high | 89.6 | Confident | 151 Ų | 151 | 66.7 Ų | 66.7 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.2 | -32.2 | 173.2 | -81.8 | -177.5 | -86.7 | 179 | -10.9 | 112.6 | Q130 N131 L132 | Q130-R134 WeakPolarHBondContact O-CG 3.37Å; Q130-R134 PolarHBondContact O-N 3.1Å; Q130-R134 VanDerWaalsContact O-N 3.16Å; Q130-R134 PolarHBondContact O-NE 3.04Å; N131-R134 PolarHBondContact O-N 3.45Å; N131-R134 PolarHBondContact OD1-NH2 2.99Å; L132-R134 VanDerWaalsContact C-N 3.26Å; L132-R134 PolarHBondContact O-N 3.25Å |
| 135 | K | 88.2 | Confident | 89.6 | Confident | 103 Ų | 103 | 64.9 Ų | 64.9 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -84.1 | -22.8 | 179.7 | -70.5 | -178.7 | 167.1 | -71.1 | 0 | 113.7 | L70 F73 N131 L132 L133 K137 | L70-K135 HydrophobicContact CD2-CB 3.49Å; L70-K135 VanDerWaalsContact CD2-CB 3.49Å; L70-K135 HydrophobicContact CD2-CD 4.48Å; F73-K135 HydrophobicContact CB-CD 4.24Å; F73-K135 HydrophobicContact CD1-CD 3.85Å; F73-K135 HydrophobicContact CD2-CD 3.62Å; F73-K135 HydrophobicContact CE1-CD 4.13Å; F73-K135 HydrophobicContact CE2-CD 3.86Å; F73-K135 VanDerWaalsContact CE2-CE 3.48Å; F73-K135 HydrophobicContact CG-CD 3.6Å; F73-K135 HydrophobicContact CZ-CD 4.15Å; N131-K135 PolarHBondContact O-N 3.32Å; L132-K135 PolarHBondContact O-N 3.01Å; L133-K135 VanDerWaalsContact C-N 3.32Å; K135-K137 VanDerWaalsContact C-N 3.28Å |
| 136 | L | 86.4 | Confident | 89.6 | Confident | 36 Ų | 36 | 69.6 Ų | 69.6 | 19% | 0.188 | 31% | 0.313 | C | S | . | . | trans | -77.5 | -10.2 | 175.7 | -76.6 | 165.3 | 0 | 0 | 0 | 113.9 | L70 I98 L132 L133 | L70-L136 HydrophobicContact CD1-CD2 3.95Å; I98-L136 HydrophobicContact CG2-CD1 3.8Å; L132-L136 HydrophobicContact CD1-CD1 4.41Å; L132-L136 HydrophobicContact CG-CD1 4.07Å; L132-L136 PolarHBondContact O-N 2.85Å; L133-L136 HydrophobicContact CD2-CD1 4.41Å | ||
| 137 | K | 77.2 | Confident | 89.5 | Confident | 206 Ų | 206 | 71.6 Ų | 71.6 | 90% | 0.896 | 32% | 0.318 | S | S | * | . | trans | -85.4 | 0 | 176.4 | -71.9 | -179.7 | -176.8 | -177.9 | 0 | 111.5 | K135 | K135-K137 VanDerWaalsContact C-N 3.28Š|
Retrieved 137 of 137 residues in 219.4 ms
(Link to these results)