| 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 | 53.8 | Low | 58.3 | Low | 213 Ų | 213 | 139.5 Ų | 139.5 | 100% | 1.049 | 69% | 0.686 | S | S | * | * | 0 | 33.2 | 0 | -59.8 | -149.8 | -69.5 | 0 | 0 | 113.1 | G3 | M1-G3 PolarHBondContact O-N 3.41Š| |||
| 2 | L | 54.3 | Low | 57.7 | Low | 159 Ų | 159 | 139.8 Ų | 139.8 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -70 | -17.7 | 177.6 | -96.8 | 128 | 0 | 0 | 0 | 113.8 | E4 | L2-E4 PolarHBondContact O-N 3.47Å |
| 3 | G | 65.6 | Low | 57.1 | Low | 44 Ų | 44 | 141.2 Ų | 141.2 | 45% | 0.454 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -72.6 | -21 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | M1 K7 | M1-G3 PolarHBondContact O-N 3.41Å; G3-K7 WeakPolarHBondContact O-CG 3.49Å; G3-K7 PolarHBondContact O-N 3.24Å |
| 4 | E | 64.4 | Low | 56.7 | Low | 139 Ų | 139 | 146.9 Ų | 146.9 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -78.6 | -39 | 178 | -74 | -173.7 | 158.5 | 0 | 0 | 112.3 | L2 E6 K7 L8 | L2-E4 PolarHBondContact O-N 3.47Å; E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.43Å; E4-K7 PolarHBondContact O-N 2.89Å; E4-L8 PolarHBondContact O-N 3.35Å; E4-L8 VanDerWaalsContact O-N 3.12Å |
| 5 | K | 55.8 | Low | 56.4 | Low | 171 Ų | 171 | 146.3 Ų | 146.3 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -63.5 | -36.4 | 175.3 | -87.4 | -171.4 | 172.2 | -177.1 | 0 | 112.4 | K7 L8 L9 | K5-K7 VanDerWaalsContact C-N 3.34Å; K5-L8 PolarHBondContact O-N 3.16Å; K5-L9 PolarHBondContact O-N 3.01Å; K5-L9 VanDerWaalsContact O-N 3.08Å |
| 6 | E | 62.8 | Low | 55.9 | Low | 121 Ų | 121 | 146.2 Ų | 146.2 | 57% | 0.565 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.1 | -31.8 | 178 | -159.5 | -179.3 | 170.9 | 0 | 0 | 112.3 | E4 K10 | E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.43Å; E6-K10 WeakPolarHBondContact O-CG 3.34Å; E6-K10 PolarHBondContact O-N 3.17Å |
| 7 | K | 61.3 | Low | 55.4 | Low | 163 Ų | 163 | 143.2 Ų | 143.2 | 71% | 0.709 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -68.6 | -38.1 | 172.3 | -74.8 | -177.8 | -179.3 | -176.4 | 0 | 112.4 | G3 E4 K5 K10 H11 | G3-K7 WeakPolarHBondContact O-CG 3.49Å; G3-K7 PolarHBondContact O-N 3.24Å; E4-K7 PolarHBondContact O-N 2.89Å; K5-K7 VanDerWaalsContact C-N 3.34Å; K7-K10 PolarHBondContact O-N 3.44Å; K7-H11 PolarHBondContact O-N 2.91Å |
| 8 | L | 59.6 | Low | 55.2 | Low | 128 Ų | 128 | 142.4 Ų | 142.4 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -64.9 | -43.2 | 175.5 | -100 | 128.9 | 0 | 0 | 0 | 111.9 | E4 K5 K10 H11 E12 | E4-L8 PolarHBondContact O-N 3.35Å; E4-L8 VanDerWaalsContact O-N 3.12Å; K5-L8 PolarHBondContact O-N 3.16Å; L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.32Å; L8-H11 PolarHBondContact O-N 3.3Å; L8-H11 VanDerWaalsContact O-N 3.1Å; L8-E12 PolarHBondContact O-N 3.39Å |
| 9 | L | 57 | Low | 54.8 | Low | 126 Ų | 126 | 138 Ų | 138 | 66% | 0.66 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -62.9 | -38 | 177 | -116.8 | 89.1 | 0 | 0 | 0 | 112.4 | K5 H11 E12 | K5-L9 PolarHBondContact O-N 3.01Å; K5-L9 VanDerWaalsContact O-N 3.08Å; L9-H11 PolarHBondContact O-N 2.97Å; L9-E12 PolarHBondContact O-N 3.4Å |
| 10 | K | 56.4 | Low | 54.8 | Low | 131 Ų | 131 | 141.8 Ų | 141.8 | 57% | 0.57 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -68 | -20.9 | 176 | -74.1 | -176.7 | -179.8 | -179.9 | 0 | 113.5 | E6 K7 L8 | E6-K10 WeakPolarHBondContact O-CG 3.34Å; E6-K10 PolarHBondContact O-N 3.17Å; K7-K10 PolarHBondContact O-N 3.44Å; L8-K10 VanDerWaalsContact C-N 3.32Å; L8-K10 PolarHBondContact O-N 3.32Å |
| 11 | H | 50.7 | Low | 55.3 | Low | 139 Ų | 139 | 138.7 Ų | 138.7 | 64% | 0.644 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -82.6 | -25.3 | 177.3 | -151.7 | -61.8 | 0 | 0 | 0 | 112.4 | K7 L8 L9 E13 | K7-H11 PolarHBondContact O-N 2.91Å; L8-H11 PolarHBondContact O-N 3.3Å; L8-H11 VanDerWaalsContact O-N 3.1Å; L9-H11 PolarHBondContact O-N 2.97Å; H11-E13 VanDerWaalsContact C-N 3.33Å |
| 12 | E | 50.5 | Low | 56.3 | Low | 144 Ų | 144 | 134.3 Ų | 134.3 | 67% | 0.673 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.4 | -27.2 | 176.1 | -108.9 | 179.3 | 163.7 | 0 | 0 | 112.9 | L8 L9 W14 L15 | L8-E12 PolarHBondContact O-N 3.39Å; L9-E12 PolarHBondContact O-N 3.4Å; E12-W14 PolarHBondContact O-N 2.86Å; E12-L15 PolarHBondContact O-N 3.33Å |
| 13 | E | 50.5 | Low | 57.6 | Low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -66.5 | -19.5 | -178.9 | -154.4 | 170 | -161.8 | 0 | 0 | 113.2 | H11 | H11-E13 VanDerWaalsContact C-N 3.33Š|
| 14 | W | 50.8 | Low | 58.5 | Low | 221 Ų | 221 | 131.7 Ų | 131.7 | 84% | 0.837 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -86.4 | -10.2 | -179.9 | -76.5 | 88.6 | 0 | 0 | 0 | 115.1 | E12 | E12-W14 PolarHBondContact O-N 2.86Š|
| 15 | L | 52.2 | Low | 59.6 | Low | 139 Ų | 139 | 129 Ų | 129 | 73% | 0.728 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -104.2 | 8.9 | -173 | -81.5 | 169.6 | 0 | 0 | 0 | 115 | E12 P17 | E12-L15 PolarHBondContact O-N 3.33Å; L15-P17 WeakPolarHBondContact O-CD 3.37Å |
| 16 | L | 48.1 | Very low | 61.2 | Low | 144 Ų | 144 | 123.4 Ų | 123.4 | 75% | 0.754 | 63% | 0.631 | S | S | * | * | trans | -87.8 | 97.2 | 167.9 | -79.5 | 155.9 | 0 | 0 | 0 | 109 | S18 | L16-S18 PolarHBondContact O-N 3.36Š| ||
| 17 | P | 47.3 | Very low | 62.5 | Low | 95 Ų | 95 | 120.6 Ų | 120.6 | 62% | 0.617 | 63% | 0.625 | S | S | * | * | trans | -58.4 | 118.6 | 169.1 | 23.1 | -31.3 | 0 | 0 | 0 | 108.2 | L15 S19 | L15-P17 WeakPolarHBondContact O-CD 3.37Å; P17-S19 PolarHBondContact O-N 3.5Å | ||
| 18 | S | 51.7 | Low | 63.8 | Low | 129 Ų | 129 | 117.7 Ų | 117.7 | 90% | 0.902 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -67.8 | 41.2 | 177.6 | -179.8 | 0 | 0 | 0 | 0 | 112.9 | L16 | L16-S18 PolarHBondContact O-N 3.36Š|
| 19 | S | 48.9 | Very low | 65.4 | Low | 59 Ų | 59 | 118.9 Ų | 118.9 | 41% | 0.413 | 61% | 0.611 | S | S | . | * | trans | -122.2 | 83 | 174.6 | 59.5 | 0 | 0 | 0 | 0 | 109 | P17 T21 | P17-S19 PolarHBondContact O-N 3.5Å; S19-T21 PolarHBondContact O-N 3.4Å | ||
| 20 | K | 53.8 | Low | 67.1 | Low | 214 Ų | 214 | 115.2 Ų | 115.2 | 93% | 0.93 | 60% | 0.599 | S | S | * | * | trans | -69.6 | 42.5 | 166.4 | -64.1 | -179.4 | 178.2 | 176.3 | 0 | 111.6 | ||||
| 21 | T | 64.8 | Low | 68.9 | Low | 76 Ų | 76 | 112.9 Ų | 112.9 | 47% | 0.466 | 59% | 0.592 | S | S | . | * | trans | -83.6 | 148.5 | 167 | 51.6 | 0 | 0 | 0 | 0 | 108.3 | S19 D23 G24 L25 | S19-T21 PolarHBondContact O-N 3.4Å; T21-D23 PolarHBondContact O-N 3.37Å; T21-D23 VanDerWaalsContact O-N 3.14Å; T21-G24 WeakPolarHBondContact O-CA 3.3Å; T21-G24 PolarHBondContact O-N 3.1Å; T21-L25 PolarHBondContact O-N 3.4Å | ||
| 22 | D | 74.8 | Confident | 71 | Confident | 122 Ų | 122 | 115.2 Ų | 115.2 | 65% | 0.652 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -55.6 | -31.2 | 178.4 | -147.6 | 4.7 | 0 | 0 | 0 | 111 | G24 L25 A26 | D22-G24 VanDerWaalsContact C-N 3.35Å; D22-G24 PolarHBondContact O-N 3.43Å; D22-L25 PolarHBondContact O-N 2.91Å; D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 3.06Å |
| 23 | D | 82.5 | Confident | 73.2 | Confident | 131 Ų | 131 | 115.5 Ų | 115.5 | 70% | 0.701 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.7 | -39.9 | 170.7 | -65.2 | -22.5 | 0 | 0 | 0 | 113.3 | T21 A26 S27 | T21-D23 PolarHBondContact O-N 3.37Å; T21-D23 VanDerWaalsContact O-N 3.14Å; D23-A26 PolarHBondContact O-N 3.46Å; D23-S27 VanDerWaalsContact O-CB 3.25Å; D23-S27 WeakPolarHBondContact O-CB 3.31Å; D23-S27 PolarHBondContact O-N 3.37Å |
| 24 | G | 85.2 | Confident | 75.3 | Confident | 16 Ų | 16 | 115.6 Ų | 115.6 | 17% | 0.165 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -65.6 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | T21 D22 S27 M28 | T21-G24 WeakPolarHBondContact O-CA 3.3Å; T21-G24 PolarHBondContact O-N 3.1Å; D22-G24 VanDerWaalsContact C-N 3.35Å; D22-G24 PolarHBondContact O-N 3.43Å; G24-S27 PolarHBondContact O-N 3.26Å; G24-M28 WeakPolarHBondContact O-CG 3.47Å; G24-M28 PolarHBondContact O-N 3.29Å |
| 25 | L | 87 | Confident | 77.5 | Confident | 84 Ų | 84 | 110.9 Ų | 110.9 | 44% | 0.44 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.1 | -42.6 | 174.7 | -71.1 | 173.1 | 0 | 0 | 0 | 111.7 | T21 D22 M28 R29 | T21-L25 PolarHBondContact O-N 3.4Å; D22-L25 PolarHBondContact O-N 2.91Å; L25-M28 HydrophobicContact CD2-CE 3.84Å; L25-M28 PolarHBondContact O-N 3.14Å; L25-R29 WeakPolarHBondContact O-CG 3.31Å; L25-R29 PolarHBondContact O-N 3.41Å |
| 26 | A | 89 | Confident | 79.6 | Confident | 52 Ų | 52 | 109.5 Ų | 109.5 | 43% | 0.43 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.8 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D22 D23 R29 A30 | D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 3.06Å; D23-A26 PolarHBondContact O-N 3.46Å; A26-R29 PolarHBondContact O-N 3.44Å; A26-A30 WeakPolarHBondContact O-CB 3.37Å; A26-A30 PolarHBondContact O-N 2.97Å |
| 27 | S | 89.7 | Confident | 81.9 | Confident | 63 Ų | 63 | 110.5 Ų | 110.5 | 44% | 0.441 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.1 | -47.1 | 175.3 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | D23 G24 R29 A30 I31 | D23-S27 VanDerWaalsContact O-CB 3.25Å; D23-S27 WeakPolarHBondContact O-CB 3.31Å; D23-S27 PolarHBondContact O-N 3.37Å; G24-S27 PolarHBondContact O-N 3.26Å; S27-R29 VanDerWaalsContact C-N 3.35Å; S27-R29 PolarHBondContact O-N 3.48Å; S27-A30 WeakPolarHBondContact O-CB 3.38Å; S27-A30 PolarHBondContact O-N 2.97Å; S27-A30 VanDerWaalsContact O-N 3.11Å; S27-I31 VanDerWaalsContact O-CG1 3.32Å; S27-I31 WeakPolarHBondContact O-CG1 3.27Å; S27-I31 PolarHBondContact O-N 2.96Å |
| 28 | M | 90 | Very high | 84.2 | Confident | 101 Ų | 101 | 110.4 Ų | 110.4 | 50% | 0.498 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.1 | -40.7 | 176.1 | -76.8 | -172 | -73.7 | 0 | 0 | 112.5 | G24 L25 A30 I31 R32 | G24-M28 WeakPolarHBondContact O-CG 3.47Å; G24-M28 PolarHBondContact O-N 3.29Å; L25-M28 HydrophobicContact CD2-CE 3.84Å; L25-M28 PolarHBondContact O-N 3.14Å; M28-A30 VanDerWaalsContact C-N 3.34Å; M28-A30 PolarHBondContact O-N 2.94Å; M28-I31 PolarHBondContact O-N 2.76Å; M28-R32 WeakPolarHBondContact O-CB 3.37Å; M28-R32 PolarHBondContact O-N 3.36Å |
| 29 | R | 92.4 | Very high | 86.4 | Confident | 154 Ų | 154 | 109.2 Ų | 109.2 | 58% | 0.581 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63 | -40.7 | 173.9 | -72.3 | -177.4 | -132 | 161.5 | 6.7 | 111.6 | L25 A26 S27 R32 K33 | L25-R29 WeakPolarHBondContact O-CG 3.31Å; L25-R29 PolarHBondContact O-N 3.41Å; A26-R29 PolarHBondContact O-N 3.44Å; S27-R29 VanDerWaalsContact C-N 3.35Å; S27-R29 PolarHBondContact O-N 3.48Å; R29-R32 PolarHBondContact O-N 3.28Å; R29-K33 WeakPolarHBondContact O-CG 3.46Å; R29-K33 PolarHBondContact O-N 3.47Å |
| 30 | A | 93.6 | Very high | 88.7 | Confident | 48 Ų | 48 | 110.1 Ų | 110.1 | 40% | 0.397 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A26 S27 M28 K33 K34 | A26-A30 WeakPolarHBondContact O-CB 3.37Å; A26-A30 PolarHBondContact O-N 2.97Å; S27-A30 WeakPolarHBondContact O-CB 3.38Å; S27-A30 PolarHBondContact O-N 2.97Å; S27-A30 VanDerWaalsContact O-N 3.11Å; M28-A30 VanDerWaalsContact C-N 3.34Å; M28-A30 PolarHBondContact O-N 2.94Å; A30-K33 PolarHBondContact O-N 2.73Å; A30-K34 WeakPolarHBondContact O-CG 3.41Å; A30-K34 PolarHBondContact O-N 2.9Å |
| 31 | I | 93.8 | Very high | 90.7 | Very high | 83 Ų | 83 | 104.4 Ų | 104.4 | 43% | 0.426 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 174.1 | -68.6 | 165.8 | 0 | 0 | 0 | 110 | S27 M28 K33 K34 Q35 | S27-I31 VanDerWaalsContact O-CG1 3.32Å; S27-I31 WeakPolarHBondContact O-CG1 3.27Å; S27-I31 PolarHBondContact O-N 2.96Å; M28-I31 PolarHBondContact O-N 2.76Å; I31-K33 VanDerWaalsContact C-N 3.34Å; I31-K33 PolarHBondContact O-N 3.18Å; I31-K34 WeakPolarHBondContact O-CB 3.42Å; I31-K34 PolarHBondContact O-N 3.44Å; I31-Q35 HydrophobicContact CG2-CG 4.29Å; I31-Q35 WeakPolarHBondContact O-CG 3.45Å; I31-Q35 PolarHBondContact O-N 2.86Å |
| 32 | R | 94.2 | Very high | 92.2 | Very high | 187 Ų | 187 | 106.2 Ų | 106.2 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.8 | -43.6 | 178.4 | -166.9 | 177.9 | -159.8 | 160.4 | 6.3 | 112.2 | M28 R29 K34 Q35 E36 | M28-R32 WeakPolarHBondContact O-CB 3.37Å; M28-R32 PolarHBondContact O-N 3.36Å; R29-R32 PolarHBondContact O-N 3.28Å; R32-K34 VanDerWaalsContact C-N 3.34Å; R32-K34 PolarHBondContact O-N 2.91Å; R32-Q35 PolarHBondContact O-N 3.42Å; R32-E36 WeakPolarHBondContact O-CB 3.49Å; R32-E36 PolarHBondContact O-N 2.9Å |
| 33 | K | 95.9 | Very high | 93.2 | Very high | 151 Ų | 151 | 104.7 Ų | 104.7 | 66% | 0.657 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -39.6 | 174.4 | -75.5 | 179.5 | 177.3 | -174.5 | 0 | 112.5 | R29 A30 I31 K37 | R29-K33 WeakPolarHBondContact O-CG 3.46Å; R29-K33 PolarHBondContact O-N 3.47Å; A30-K33 PolarHBondContact O-N 2.73Å; I31-K33 VanDerWaalsContact C-N 3.34Å; I31-K33 PolarHBondContact O-N 3.18Å; K33-K37 WeakPolarHBondContact O-CB 3.34Å; K33-K37 PolarHBondContact O-N 2.89Å |
| 34 | K | 96.1 | Very high | 93.9 | Very high | 158 Ų | 158 | 101.4 Ų | 101.4 | 69% | 0.687 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -42.2 | 175.4 | -73.9 | -179.5 | 178.6 | -176.6 | 0 | 111.7 | A30 I31 R32 K37 L38 | A30-K34 WeakPolarHBondContact O-CG 3.41Å; A30-K34 PolarHBondContact O-N 2.9Å; I31-K34 WeakPolarHBondContact O-CB 3.42Å; I31-K34 PolarHBondContact O-N 3.44Å; R32-K34 VanDerWaalsContact C-N 3.34Å; R32-K34 PolarHBondContact O-N 2.91Å; K34-K37 PolarHBondContact O-N 2.87Å; K34-L38 WeakPolarHBondContact O-CB 3.43Å; K34-L38 PolarHBondContact O-N 3.16Å |
| 35 | Q | 95.8 | Very high | 94.4 | Very high | 122 Ų | 122 | 104.6 Ų | 104.6 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 175.8 | -73.4 | 174.8 | -30.3 | 0 | 0 | 111.7 | I31 R32 L38 M39 | I31-Q35 HydrophobicContact CG2-CG 4.29Å; I31-Q35 WeakPolarHBondContact O-CG 3.45Å; I31-Q35 PolarHBondContact O-N 2.86Å; R32-Q35 PolarHBondContact O-N 3.42Å; Q35-L38 PolarHBondContact O-N 2.86Å; Q35-M39 WeakPolarHBondContact O-CB 3.46Å; Q35-M39 PolarHBondContact O-N 2.64Å |
| 36 | E | 96 | Very high | 94.7 | Very high | 111 Ų | 111 | 103.2 Ų | 103.2 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 175.6 | -177.5 | 174.9 | -159.4 | 0 | 0 | 111.7 | R32 L38 M39 N40 | R32-E36 WeakPolarHBondContact O-CB 3.49Å; R32-E36 PolarHBondContact O-N 2.9Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.36Å; E36-M39 PolarHBondContact O-N 2.97Å; E36-N40 WeakPolarHBondContact O-CB 3.23Å; E36-N40 VanDerWaalsContact O-CG 3.3Å; E36-N40 PolarHBondContact O-N 3.45Å; E36-N40 PolarHBondContact O-ND2 3.2Å |
| 37 | K | 96.6 | Very high | 94.9 | Very high | 164 Ų | 164 | 106.6 Ų | 106.6 | 71% | 0.713 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.8 | -42.1 | 174.7 | -172.4 | 177.6 | -178.7 | -179.1 | 0 | 112 | K33 K34 L41 | K33-K37 WeakPolarHBondContact O-CB 3.34Å; K33-K37 PolarHBondContact O-N 2.89Å; K34-K37 PolarHBondContact O-N 2.87Å; K37-L41 WeakPolarHBondContact O-CB 3.3Å; K37-L41 PolarHBondContact O-N 2.99Å |
| 38 | L | 97 | Very high | 95.1 | Very high | 93 Ų | 93 | 108.9 Ų | 108.9 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 177.9 | -177 | 62.2 | 0 | 0 | 0 | 111.5 | K34 Q35 E36 L41 H42 | K34-L38 WeakPolarHBondContact O-CB 3.43Å; K34-L38 PolarHBondContact O-N 3.16Å; Q35-L38 PolarHBondContact O-N 2.86Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.36Å; L38-L41 WeakPolarHBondContact O-CB 3.31Å; L38-L41 PolarHBondContact O-N 3.42Å; L38-H42 PolarHBondContact O-CD2 3Å; L38-H42 PolarHBondContact O-N 2.98Å |
| 39 | M | 97.3 | Very high | 95.2 | Very high | 104 Ų | 104 | 110.8 Ų | 110.8 | 51% | 0.512 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 175 | -176.8 | -173.3 | 72.1 | 0 | 0 | 111.2 | Q35 E36 L41 H42 L43 | Q35-M39 WeakPolarHBondContact O-CB 3.46Å; Q35-M39 PolarHBondContact O-N 2.64Å; E36-M39 PolarHBondContact O-N 2.97Å; M39-L41 VanDerWaalsContact C-N 3.31Å; M39-L41 PolarHBondContact O-N 3.41Å; M39-H42 PolarHBondContact O-N 3.38Å; M39-L43 HydrophobicContact CG-CD1 3.97Å; M39-L43 WeakPolarHBondContact O-CD1 3.46Å; M39-L43 PolarHBondContact O-N 3.43Å |
| 40 | N | 97 | Very high | 95.3 | Very high | 79 Ų | 79 | 109.5 Ų | 109.5 | 42% | 0.422 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 176.8 | -71.3 | -19.6 | 0 | 0 | 0 | 111.9 | E36 L43 T44 | E36-N40 WeakPolarHBondContact O-CB 3.23Å; E36-N40 VanDerWaalsContact O-CG 3.3Å; E36-N40 PolarHBondContact O-N 3.45Å; E36-N40 PolarHBondContact O-ND2 3.2Å; N40-L43 PolarHBondContact O-N 2.98Å; N40-T44 PolarHBondContact O-N 3.41Å; N40-T44 PolarHBondContact O-OG1 3.19Å; N40-T44 VanDerWaalsContact O-OG1 3.13Å |
| 41 | L | 96.6 | Very high | 95.2 | Very high | 93 Ų | 93 | 111 Ų | 111 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 174.3 | -178.9 | 64.6 | 0 | 0 | 0 | 111.7 | K37 L38 M39 L43 T44 L45 | K37-L41 WeakPolarHBondContact O-CB 3.3Å; K37-L41 PolarHBondContact O-N 2.99Å; L38-L41 WeakPolarHBondContact O-CB 3.31Å; L38-L41 PolarHBondContact O-N 3.42Å; M39-L41 VanDerWaalsContact C-N 3.31Å; M39-L41 PolarHBondContact O-N 3.41Å; L41-L43 VanDerWaalsContact C-N 3.35Å; L41-L43 PolarHBondContact O-N 3.06Å; L41-T44 PolarHBondContact O-N 3.4Å; L41-L45 HydrophobicContact CD1-CD1 4.36Å; L41-L45 HydrophobicContact CD1-CG 4.39Å; L41-L45 HydrophobicContact CG-CD1 4.1Å; L41-L45 WeakPolarHBondContact O-CG 3.03Å; L41-L45 PolarHBondContact O-N 3.5Å |
| 42 | H | 95.8 | Very high | 95.1 | Very high | 114 Ų | 114 | 112.9 Ų | 112.9 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 176.1 | -74.8 | -60.7 | 0 | 0 | 0 | 112.6 | L38 M39 L45 A46 | L38-H42 PolarHBondContact O-CD2 3Å; L38-H42 PolarHBondContact O-N 2.98Å; M39-H42 PolarHBondContact O-N 3.38Å; H42-L45 PolarHBondContact O-N 2.97Å; H42-A46 WeakPolarHBondContact O-CB 3.49Å; H42-A46 PolarHBondContact O-N 3.18Å |
| 43 | L | 96.6 | Very high | 94.9 | Very high | 90 Ų | 90 | 106.7 Ų | 106.7 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 173.8 | -83.5 | 145.8 | 0 | 0 | 0 | 111.6 | M39 N40 L41 Q47 | M39-L43 HydrophobicContact CG-CD1 3.97Å; M39-L43 WeakPolarHBondContact O-CD1 3.46Å; M39-L43 PolarHBondContact O-N 3.43Å; N40-L43 PolarHBondContact O-N 2.98Å; L41-L43 VanDerWaalsContact C-N 3.35Å; L41-L43 PolarHBondContact O-N 3.06Å; L43-Q47 VanDerWaalsContact O-CG 3.3Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 3.06Å; L43-Q47 VanDerWaalsContact O-N 3.1Å |
| 44 | T | 95.9 | Very high | 94.8 | Very high | 63 Ų | 63 | 104 Ų | 104 | 39% | 0.387 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 176.6 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | N40 L41 A46 Q47 E48 | N40-T44 PolarHBondContact O-N 3.41Å; N40-T44 PolarHBondContact O-OG1 3.19Å; N40-T44 VanDerWaalsContact O-OG1 3.13Å; L41-T44 PolarHBondContact O-N 3.4Å; T44-A46 VanDerWaalsContact C-N 3.34Å; T44-A46 PolarHBondContact O-N 3.39Å; T44-Q47 WeakPolarHBondContact O-CB 3.4Å; T44-Q47 PolarHBondContact O-N 2.89Å; T44-Q47 VanDerWaalsContact O-N 3.14Å; T44-E48 HydrophobicContact CG2-CG 4.48Å; T44-E48 WeakPolarHBondContact O-CG 3.48Å; T44-E48 PolarHBondContact O-N 3.08Å |
| 45 | L | 95.1 | Very high | 94.5 | Very high | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 180 | -71.3 | 172 | 0 | 0 | 0 | 112.1 | L41 H42 Q47 E48 E49 | L41-L45 HydrophobicContact CD1-CD1 4.36Å; L41-L45 HydrophobicContact CD1-CG 4.39Å; L41-L45 HydrophobicContact CG-CD1 4.1Å; L41-L45 WeakPolarHBondContact O-CG 3.03Å; L41-L45 PolarHBondContact O-N 3.5Å; H42-L45 PolarHBondContact O-N 2.97Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 2.93Å; L45-E48 PolarHBondContact O-N 3.36Å; L45-E49 WeakPolarHBondContact O-CB 3.28Å; L45-E49 PolarHBondContact O-N 2.92Å |
| 46 | A | 93.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 99.8 Ų | 99.8 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -35.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H42 T44 M50 | H42-A46 WeakPolarHBondContact O-CB 3.49Å; H42-A46 PolarHBondContact O-N 3.18Å; T44-A46 VanDerWaalsContact C-N 3.34Å; T44-A46 PolarHBondContact O-N 3.39Å; A46-M50 WeakPolarHBondContact O-CB 3.37Å; A46-M50 PolarHBondContact O-N 3.45Å; A46-M50 VanDerWaalsContact O-N 3.07Å |
| 47 | Q | 94 | Very high | 94.3 | Very high | 122 Ų | 122 | 98 Ų | 98 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.2 | -39.4 | 174.1 | -73.6 | 173.5 | -15.4 | 0 | 0 | 112.1 | L43 T44 L45 T51 | L43-Q47 VanDerWaalsContact O-CG 3.3Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 3.06Å; L43-Q47 VanDerWaalsContact O-N 3.1Å; T44-Q47 WeakPolarHBondContact O-CB 3.4Å; T44-Q47 PolarHBondContact O-N 2.89Å; T44-Q47 VanDerWaalsContact O-N 3.14Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 2.93Å; Q47-T51 WeakPolarHBondContact O-CB 3.4Å; Q47-T51 PolarHBondContact O-N 3.05Å; Q47-T51 PolarHBondContact O-OG1 3.27Å |
| 48 | E | 93.9 | Very high | 94.1 | Very high | 112 Ų | 112 | 96.2 Ų | 96.2 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 175.4 | -73.4 | 174.9 | 180 | 0 | 0 | 111 | T44 L45 M50 T51 E52 | T44-E48 HydrophobicContact CG2-CG 4.48Å; T44-E48 WeakPolarHBondContact O-CG 3.48Å; T44-E48 PolarHBondContact O-N 3.08Å; L45-E48 PolarHBondContact O-N 3.36Å; E48-M50 PolarHBondContact O-N 3.44Å; E48-T51 PolarHBondContact O-N 3.5Å; E48-T51 VanDerWaalsContact O-N 3.11Å; E48-E52 WeakPolarHBondContact O-CB 3.47Å; E48-E52 PolarHBondContact O-N 3.32Å |
| 49 | E | 92.9 | Very high | 94 | Very high | 141 Ų | 141 | 96.9 Ų | 96.9 | 66% | 0.659 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.7 | -43.6 | 177.3 | -174.9 | 179.7 | -175.6 | 0 | 0 | 112 | L45 T51 E52 S53 | L45-E49 WeakPolarHBondContact O-CB 3.28Å; L45-E49 PolarHBondContact O-N 2.92Å; E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 2.98Å; E49-E52 PolarHBondContact O-N 3.42Å; E49-S53 WeakPolarHBondContact O-CB 3.41Å; E49-S53 PolarHBondContact O-N 3.42Å |
| 50 | M | 93 | Very high | 93.9 | Very high | 127 Ų | 127 | 97.6 Ų | 97.6 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.2 | -40.6 | 175.2 | -177.7 | 179.1 | 179.4 | 0 | 0 | 111.8 | A46 E48 I54 | A46-M50 WeakPolarHBondContact O-CB 3.37Å; A46-M50 PolarHBondContact O-N 3.45Å; A46-M50 VanDerWaalsContact O-N 3.07Å; E48-M50 PolarHBondContact O-N 3.44Å; M50-I54 HydrophobicContact CE-CD1 4.2Å; M50-I54 HydrophobicContact CG-CD1 4.1Å; M50-I54 WeakPolarHBondContact O-CD1 3.38Å; M50-I54 VanDerWaalsContact O-CG1 3.24Å; M50-I54 WeakPolarHBondContact O-CG1 3.32Å; M50-I54 PolarHBondContact O-N 3.08Å; M50-I54 VanDerWaalsContact O-N 3.1Å |
| 51 | T | 92.2 | Very high | 93.8 | Very high | 79 Ų | 79 | 100 Ų | 100 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | 179.6 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | Q47 E48 E49 I54 L55 | Q47-T51 WeakPolarHBondContact O-CB 3.4Å; Q47-T51 PolarHBondContact O-N 3.05Å; Q47-T51 PolarHBondContact O-OG1 3.27Å; E48-T51 PolarHBondContact O-N 3.5Å; E48-T51 VanDerWaalsContact O-N 3.11Å; E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 2.98Å; T51-I54 PolarHBondContact O-N 3.42Å; T51-L55 HydrophobicContact CG2-CD1 4.29Å; T51-L55 WeakPolarHBondContact O-CG 3.48Å; T51-L55 PolarHBondContact O-N 2.89Å |
| 52 | E | 91.8 | Very high | 93.8 | Very high | 122 Ų | 122 | 100.9 Ų | 100.9 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.2 | -47.7 | 175.3 | -174.6 | 170.7 | -158.5 | 0 | 0 | 110.9 | E48 E49 I54 L55 E56 | E48-E52 WeakPolarHBondContact O-CB 3.47Å; E48-E52 PolarHBondContact O-N 3.32Å; E49-E52 PolarHBondContact O-N 3.42Å; E52-I54 VanDerWaalsContact C-N 3.33Å; E52-I54 PolarHBondContact O-N 3.02Å; E52-L55 PolarHBondContact O-N 2.96Å; E52-L55 VanDerWaalsContact O-N 3.08Å; E52-E56 WeakPolarHBondContact O-CG 3.43Å; E52-E56 PolarHBondContact O-N 3.19Å |
| 53 | S | 90.8 | Very high | 93.9 | Very high | 58 Ų | 58 | 99.9 Ų | 99.9 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.3 | -43.8 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 112.7 | E49 L55 E56 D57 | E49-S53 WeakPolarHBondContact O-CB 3.41Å; E49-S53 PolarHBondContact O-N 3.42Å; S53-L55 PolarHBondContact O-N 3.24Å; S53-E56 PolarHBondContact O-N 3.04Å; S53-D57 PolarHBondContact O-N 2.85Å |
| 54 | I | 92 | Very high | 93.9 | Very high | 94 Ų | 94 | 102 Ų | 102 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 177.1 | -69.6 | 164.6 | 0 | 0 | 0 | 111.4 | M50 T51 E52 D57 K58 | M50-I54 HydrophobicContact CE-CD1 4.2Å; M50-I54 HydrophobicContact CG-CD1 4.1Å; M50-I54 WeakPolarHBondContact O-CD1 3.38Å; M50-I54 VanDerWaalsContact O-CG1 3.24Å; M50-I54 WeakPolarHBondContact O-CG1 3.32Å; M50-I54 PolarHBondContact O-N 3.08Å; M50-I54 VanDerWaalsContact O-N 3.1Å; T51-I54 PolarHBondContact O-N 3.42Å; E52-I54 VanDerWaalsContact C-N 3.33Å; E52-I54 PolarHBondContact O-N 3.02Å; I54-D57 PolarHBondContact O-N 2.86Å; I54-K58 WeakPolarHBondContact O-CB 3.38Å; I54-K58 PolarHBondContact O-N 3.45Å |
| 55 | L | 91 | Very high | 93.9 | Very high | 108 Ų | 108 | 104.7 Ų | 104.7 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.3 | -42.6 | 178.7 | -72.8 | 173 | 0 | 0 | 0 | 111.7 | T51 E52 S53 K58 L59 | T51-L55 HydrophobicContact CG2-CD1 4.29Å; T51-L55 WeakPolarHBondContact O-CG 3.48Å; T51-L55 PolarHBondContact O-N 2.89Å; E52-L55 PolarHBondContact O-N 2.96Å; E52-L55 VanDerWaalsContact O-N 3.08Å; S53-L55 PolarHBondContact O-N 3.24Å; L55-K58 PolarHBondContact O-N 3.3Å; L55-L59 PolarHBondContact O-N 3.42Å |
| 56 | E | 93 | Very high | 94 | Very high | 84 Ų | 84 | 105.3 Ų | 105.3 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 174.7 | -70.3 | -167.7 | 168.1 | 0 | 0 | 111.9 | E52 S53 K58 L59 R60 | E52-E56 WeakPolarHBondContact O-CG 3.43Å; E52-E56 PolarHBondContact O-N 3.19Å; S53-E56 PolarHBondContact O-N 3.04Å; E56-K58 VanDerWaalsContact C-N 3.31Å; E56-K58 PolarHBondContact O-N 3.46Å; E56-L59 PolarHBondContact O-N 3.39Å; E56-L59 VanDerWaalsContact O-N 3.16Å; E56-R60 VanDerWaalsContact CB-NH2 3.28Å; E56-R60 WeakPolarHBondContact O-CG 3.44Å; E56-R60 PolarHBondContact O-N 2.94Å; E56-R60 IonicContact OE2-CZ 3.66Å; E56-R60 IonicContact OE2-NH1 3.21Å; E56-R60 PolarHBondContact OE2-NH1 3.14Å; E56-R60 IonicContact OE2-NH2 2.73Å; E56-R60 PolarHBondContact OE2-NH2 3.19Å |
| 57 | D | 93.7 | Very high | 94.2 | Very high | 72 Ų | 72 | 105.7 Ų | 105.7 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 179.3 | -79.3 | -3.7 | 0 | 0 | 0 | 112.2 | S53 I54 L59 R60 K61 | S53-D57 PolarHBondContact O-N 2.85Å; I54-D57 PolarHBondContact O-N 2.86Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-R60 PolarHBondContact O-N 3.19Å; D57-R60 IonicContact OD1-CZ 3.33Å; D57-R60 IonicContact OD1-NE 2.94Å; D57-R60 PolarHBondContact OD1-NE 2.98Å; D57-R60 IonicContact OD1-NH2 2.83Å; D57-R60 PolarHBondContact OD1-NH2 3.41Å; D57-K61 VanDerWaalsContact O-CG 3.32Å; D57-K61 WeakPolarHBondContact O-CG 3.39Å; D57-K61 PolarHBondContact O-N 2.83Å |
| 58 | K | 93.8 | Very high | 94.4 | Very high | 128 Ų | 128 | 106.4 Ų | 106.4 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 173.3 | -173.3 | 178 | -177.4 | 177.5 | 0 | 111.6 | I54 L55 E56 K62 | I54-K58 WeakPolarHBondContact O-CB 3.38Å; I54-K58 PolarHBondContact O-N 3.45Å; L55-K58 PolarHBondContact O-N 3.3Å; E56-K58 VanDerWaalsContact C-N 3.31Å; E56-K58 PolarHBondContact O-N 3.46Å; K58-K62 PolarHBondContact O-N 3.16Å; K58-K62 VanDerWaalsContact O-N 3.14Å |
| 59 | L | 93.8 | Very high | 94.5 | Very high | 107 Ų | 107 | 105.8 Ų | 105.8 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.9 | -43.9 | 177 | -174.9 | 63.8 | 0 | 0 | 0 | 111.3 | L55 E56 D57 K61 K62 I63 | L55-L59 PolarHBondContact O-N 3.42Å; E56-L59 PolarHBondContact O-N 3.39Å; E56-L59 VanDerWaalsContact O-N 3.16Å; D57-L59 VanDerWaalsContact C-N 3.34Å; L59-K61 VanDerWaalsContact C-N 3.33Å; L59-K61 PolarHBondContact O-N 2.94Å; L59-K62 PolarHBondContact O-N 2.83Å; L59-I63 HydrophobicContact CG-CD1 4.18Å; L59-I63 WeakPolarHBondContact O-CG1 3.41Å; L59-I63 PolarHBondContact O-N 3.5Å |
| 60 | R | 95.4 | Very high | 94.7 | Very high | 118 Ų | 118 | 103.3 Ų | 103.3 | 45% | 0.445 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.5 | -45.4 | 175.1 | -77.3 | -172.3 | -88.3 | -97.7 | 3.9 | 111.7 | E56 D57 I63 Q64 | E56-R60 VanDerWaalsContact CB-NH2 3.28Å; E56-R60 WeakPolarHBondContact O-CG 3.44Å; E56-R60 PolarHBondContact O-N 2.94Å; E56-R60 IonicContact OE2-CZ 3.66Å; E56-R60 IonicContact OE2-NH1 3.21Å; E56-R60 PolarHBondContact OE2-NH1 3.14Å; E56-R60 IonicContact OE2-NH2 2.73Å; E56-R60 PolarHBondContact OE2-NH2 3.19Å; D57-R60 PolarHBondContact O-N 3.19Å; D57-R60 IonicContact OD1-CZ 3.33Å; D57-R60 IonicContact OD1-NE 2.94Å; D57-R60 PolarHBondContact OD1-NE 2.98Å; D57-R60 IonicContact OD1-NH2 2.83Å; D57-R60 PolarHBondContact OD1-NH2 3.41Å; R60-I63 PolarHBondContact O-N 2.96Å; R60-Q64 WeakPolarHBondContact O-CG 3.46Å; R60-Q64 PolarHBondContact O-N 3.42Å |
| 61 | K | 95.7 | Very high | 94.9 | Very high | 131 Ų | 131 | 103.3 Ų | 103.3 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60 | -45.8 | 175.3 | -74.5 | 175.3 | -176.7 | 179.5 | 0 | 112.4 | D57 L59 I63 Q64 E65 | D57-K61 VanDerWaalsContact O-CG 3.32Å; D57-K61 WeakPolarHBondContact O-CG 3.39Å; D57-K61 PolarHBondContact O-N 2.83Å; L59-K61 VanDerWaalsContact C-N 3.33Å; L59-K61 PolarHBondContact O-N 2.94Å; K61-I63 VanDerWaalsContact C-N 3.33Å; K61-I63 PolarHBondContact O-N 3.03Å; K61-Q64 PolarHBondContact O-N 2.94Å; K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.02Å |
| 62 | K | 96.7 | Very high | 95.2 | Very high | 111 Ų | 111 | 103.1 Ų | 103.1 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 176.4 | -77 | -175.3 | 171.9 | -167.3 | 0 | 113 | K58 L59 Q64 E65 N66 | K58-K62 PolarHBondContact O-N 3.16Å; K58-K62 VanDerWaalsContact O-N 3.14Å; L59-K62 PolarHBondContact O-N 2.83Å; K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-E65 PolarHBondContact O-N 3.43Å; K62-N66 WeakPolarHBondContact O-CB 3.24Å; K62-N66 VanDerWaalsContact O-CG 3.23Å; K62-N66 PolarHBondContact O-N 2.88Å |
| 63 | I | 96.2 | Very high | 95.4 | Very high | 93 Ų | 93 | 102.6 Ų | 102.6 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 176.1 | -69.3 | 166.9 | 0 | 0 | 0 | 109.7 | L59 R60 K61 N66 S67 | L59-I63 HydrophobicContact CG-CD1 4.18Å; L59-I63 WeakPolarHBondContact O-CG1 3.41Å; L59-I63 PolarHBondContact O-N 3.5Å; R60-I63 PolarHBondContact O-N 2.96Å; K61-I63 VanDerWaalsContact C-N 3.33Å; K61-I63 PolarHBondContact O-N 3.03Å; I63-N66 PolarHBondContact O-N 3.36Å; I63-S67 WeakPolarHBondContact O-CB 3.49Å; I63-S67 PolarHBondContact O-N 3.48Å; I63-S67 PolarHBondContact O-OG 3.33Å; I63-S67 VanDerWaalsContact O-OG 3.08Å |
| 64 | Q | 96.7 | Very high | 95.7 | Very high | 135 Ų | 135 | 105.7 Ų | 105.7 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 177.9 | -71.2 | 175.5 | -19.2 | 0 | 0 | 112.7 | R60 K61 K62 S67 K68 | R60-Q64 WeakPolarHBondContact O-CG 3.46Å; R60-Q64 PolarHBondContact O-N 3.42Å; K61-Q64 PolarHBondContact O-N 2.94Å; K62-Q64 VanDerWaalsContact C-N 3.33Å; Q64-S67 PolarHBondContact O-N 3.08Å; Q64-K68 PolarHBondContact O-N 3.02Å |
| 65 | E | 97 | Very high | 95.9 | Very high | 118 Ų | 118 | 103.6 Ų | 103.6 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.4 | -47.9 | 175.2 | -73.5 | 168 | -174.3 | 0 | 0 | 111.4 | K61 K62 K68 L69 | K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.02Å; K62-E65 PolarHBondContact O-N 3.43Å; E65-K68 WeakPolarHBondContact O-CB 3.37Å; E65-K68 PolarHBondContact O-N 3.44Å; E65-L69 WeakPolarHBondContact O-CG 3.49Å; E65-L69 PolarHBondContact O-N 3.42Å |
| 66 | N | 97.2 | Very high | 96.2 | Very high | 97 Ų | 97 | 104.7 Ų | 104.7 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 177.4 | -71.8 | -7.9 | 0 | 0 | 0 | 112.1 | K62 I63 K68 L69 L70 | K62-N66 WeakPolarHBondContact O-CB 3.24Å; K62-N66 VanDerWaalsContact O-CG 3.23Å; K62-N66 PolarHBondContact O-N 2.88Å; I63-N66 PolarHBondContact O-N 3.36Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 2.99Å; N66-L69 PolarHBondContact O-N 3.07Å; N66-L70 WeakPolarHBondContact O-CG 3.47Å; N66-L70 PolarHBondContact O-N 3.01Å |
| 67 | S | 97.7 | Very high | 96.4 | Very high | 62 Ų | 62 | 105.1 Ų | 105.1 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 175.6 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | I63 Q64 L70 M71 | I63-S67 WeakPolarHBondContact O-CB 3.49Å; I63-S67 PolarHBondContact O-N 3.48Å; I63-S67 PolarHBondContact O-OG 3.33Å; I63-S67 VanDerWaalsContact O-OG 3.08Å; Q64-S67 PolarHBondContact O-N 3.08Å; S67-L70 PolarHBondContact O-N 3.32Å; S67-M71 VanDerWaalsContact O-CG 3.28Å; S67-M71 WeakPolarHBondContact O-CG 3.35Å; S67-M71 PolarHBondContact O-N 2.85Å |
| 68 | K | 97.5 | Very high | 96.5 | Very high | 137 Ų | 137 | 105.5 Ų | 105.5 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -49.6 | 175.5 | -175.6 | -176.3 | 173.6 | -171.1 | 0 | 111.4 | Q64 E65 N66 L70 M71 D72 | Q64-K68 PolarHBondContact O-N 3.02Å; E65-K68 WeakPolarHBondContact O-CB 3.37Å; E65-K68 PolarHBondContact O-N 3.44Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 2.99Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.11Å; K68-M71 PolarHBondContact O-N 3.1Å; K68-M71 VanDerWaalsContact O-N 3.08Å; K68-D72 PolarHBondContact O-N 3.33Å |
| 69 | L | 97 | Very high | 96.7 | Very high | 100 Ų | 100 | 106 Ų | 106 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.9 | -44 | 178 | -70.1 | 172 | 0 | 0 | 0 | 111.9 | E65 N66 M71 D72 E73 | E65-L69 WeakPolarHBondContact O-CG 3.49Å; E65-L69 PolarHBondContact O-N 3.42Å; N66-L69 PolarHBondContact O-N 3.07Å; L69-M71 VanDerWaalsContact C-N 3.34Å; L69-M71 PolarHBondContact O-N 3.42Å; L69-D72 PolarHBondContact O-N 3.25Å; L69-E73 WeakPolarHBondContact O-CG 3.35Å; L69-E73 PolarHBondContact O-N 3.12Å |
| 70 | L | 97.4 | Very high | 96.8 | Very high | 89 Ų | 89 | 106.6 Ų | 106.6 | 47% | 0.466 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 175.8 | -72.9 | 171.3 | 0 | 0 | 0 | 112.3 | N66 S67 K68 D72 E73 F74 | N66-L70 WeakPolarHBondContact O-CG 3.47Å; N66-L70 PolarHBondContact O-N 3.01Å; S67-L70 PolarHBondContact O-N 3.32Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.11Å; L70-D72 VanDerWaalsContact C-N 3.35Å; L70-E73 PolarHBondContact O-N 3.42Å; L70-F74 WeakPolarHBondContact O-CB 3.45Å; L70-F74 WeakPolarHBondContact O-CD2 3.36Å; L70-F74 PolarHBondContact O-N 3.1Å |
| 71 | M | 97.3 | Very high | 96.8 | Very high | 126 Ų | 126 | 105.7 Ų | 105.7 | 62% | 0.621 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.6 | -37.5 | 177.6 | -70.5 | -59.8 | -60.6 | 0 | 0 | 112.2 | S67 K68 L69 F74 A75 | S67-M71 VanDerWaalsContact O-CG 3.28Å; S67-M71 WeakPolarHBondContact O-CG 3.35Å; S67-M71 PolarHBondContact O-N 2.85Å; K68-M71 PolarHBondContact O-N 3.1Å; K68-M71 VanDerWaalsContact O-N 3.08Å; L69-M71 VanDerWaalsContact C-N 3.34Å; L69-M71 PolarHBondContact O-N 3.42Å; M71-F74 PolarHBondContact O-N 2.93Å; M71-A75 PolarHBondContact O-N 3.44Å |
| 72 | D | 97.2 | Very high | 96.8 | Very high | 75 Ų | 75 | 103.8 Ų | 103.8 | 40% | 0.401 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 175 | -65.1 | -19.9 | 0 | 0 | 0 | 110.1 | K68 L69 L70 F74 A75 E76 | K68-D72 PolarHBondContact O-N 3.33Å; L69-D72 PolarHBondContact O-N 3.25Å; L70-D72 VanDerWaalsContact C-N 3.35Å; D72-F74 PolarHBondContact O-N 3.42Å; D72-A75 WeakPolarHBondContact O-CB 3.45Å; D72-A75 PolarHBondContact O-N 3.14Å; D72-E76 PolarHBondContact O-N 2.75Å |
| 73 | E | 96.6 | Very high | 96.8 | Very high | 112 Ų | 112 | 103.3 Ų | 103.3 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 174.3 | -72.6 | 175.9 | -177.9 | 0 | 0 | 112.6 | L69 L70 A75 E76 L77 | L69-E73 WeakPolarHBondContact O-CG 3.35Å; L69-E73 PolarHBondContact O-N 3.12Å; L70-E73 PolarHBondContact O-N 3.42Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 3.28Å; E73-E76 PolarHBondContact O-N 3.1Å; E73-L77 WeakPolarHBondContact O-CG 3.39Å; E73-L77 PolarHBondContact O-N 2.98Å |
| 74 | F | 97.1 | Very high | 96.8 | Very high | 122 Ų | 122 | 105.3 Ų | 105.3 | 54% | 0.535 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 175 | -82.3 | -59.1 | 0 | 0 | 0 | 112.1 | L70 M71 D72 L77 V78 | L70-F74 WeakPolarHBondContact O-CB 3.45Å; L70-F74 WeakPolarHBondContact O-CD2 3.36Å; L70-F74 PolarHBondContact O-N 3.1Å; M71-F74 PolarHBondContact O-N 2.93Å; D72-F74 PolarHBondContact O-N 3.42Å; F74-L77 PolarHBondContact O-N 3.44Å; F74-V78 VanDerWaalsContact O-CG2 3.31Å; F74-V78 WeakPolarHBondContact O-CG2 3.35Å; F74-V78 PolarHBondContact O-N 3.48Å |
| 75 | A | 96.6 | Very high | 96.7 | Very high | 50 Ų | 50 | 101.3 Ų | 101.3 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M71 D72 E73 L77 V78 E79 | M71-A75 PolarHBondContact O-N 3.44Å; D72-A75 WeakPolarHBondContact O-CB 3.45Å; D72-A75 PolarHBondContact O-N 3.14Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 3.28Å; A75-L77 VanDerWaalsContact C-N 3.33Å; A75-L77 PolarHBondContact O-N 2.92Å; A75-V78 PolarHBondContact O-N 3.4Å; A75-E79 WeakPolarHBondContact O-CG 3.47Å; A75-E79 PolarHBondContact O-N 2.93Å |
| 76 | E | 96.5 | Very high | 96.6 | Very high | 132 Ų | 132 | 97.7 Ų | 97.7 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.8 | -41.7 | 175.8 | -70.1 | -178.9 | -167.4 | 0 | 0 | 112.4 | D72 E73 E79 M80 | D72-E76 PolarHBondContact O-N 2.75Å; E73-E76 PolarHBondContact O-N 3.1Å; E76-E79 PolarHBondContact O-N 3.19Å; E76-M80 WeakPolarHBondContact O-CB 3.45Å; E76-M80 PolarHBondContact O-N 3.08Å |
| 77 | L | 96.7 | Very high | 96.4 | Very high | 93 Ų | 93 | 101 Ų | 101 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 176.2 | -72.7 | 174.6 | 0 | 0 | 0 | 112.3 | E73 F74 A75 M80 I81 | E73-L77 WeakPolarHBondContact O-CG 3.39Å; E73-L77 PolarHBondContact O-N 2.98Å; F74-L77 PolarHBondContact O-N 3.44Å; A75-L77 VanDerWaalsContact C-N 3.33Å; A75-L77 PolarHBondContact O-N 2.92Å; L77-M80 PolarHBondContact O-N 3.35Å; L77-I81 WeakPolarHBondContact O-CD1 3.3Å; L77-I81 VanDerWaalsContact O-CG1 3.23Å; L77-I81 WeakPolarHBondContact O-CG1 3.45Å; L77-I81 PolarHBondContact O-N 3.27Å |
| 78 | V | 97 | Very high | 96.1 | Very high | 79 Ų | 79 | 103.8 Ų | 103.8 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 175.9 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | F74 A75 M80 I81 D82 | F74-V78 VanDerWaalsContact O-CG2 3.31Å; F74-V78 WeakPolarHBondContact O-CG2 3.35Å; F74-V78 PolarHBondContact O-N 3.48Å; A75-V78 PolarHBondContact O-N 3.4Å; V78-M80 VanDerWaalsContact C-N 3.33Å; V78-M80 PolarHBondContact O-N 3.1Å; V78-I81 PolarHBondContact O-N 3.32Å; V78-D82 PolarHBondContact O-N 3.37Å |
| 79 | E | 96.7 | Very high | 95.8 | Very high | 138 Ų | 138 | 104.1 Ų | 104.1 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.4 | -43.3 | 176.4 | -71.8 | -178.4 | -177.1 | 0 | 0 | 111.9 | A75 E76 I81 D82 E83 | A75-E79 WeakPolarHBondContact O-CG 3.47Å; A75-E79 PolarHBondContact O-N 2.93Å; E76-E79 PolarHBondContact O-N 3.19Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-I81 PolarHBondContact O-N 3.41Å; E79-D82 PolarHBondContact O-N 2.83Å; E79-E83 WeakPolarHBondContact O-CB 3.35Å; E79-E83 PolarHBondContact O-N 3.33Å |
| 80 | M | 96.3 | Very high | 95.5 | Very high | 120 Ų | 120 | 104.6 Ų | 104.6 | 59% | 0.591 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 177.2 | -171.1 | -175.5 | -58.9 | 0 | 0 | 112.3 | E76 L77 V78 F84 | E76-M80 WeakPolarHBondContact O-CB 3.45Å; E76-M80 PolarHBondContact O-N 3.08Å; L77-M80 PolarHBondContact O-N 3.35Å; V78-M80 VanDerWaalsContact C-N 3.33Å; V78-M80 PolarHBondContact O-N 3.1Å; M80-F84 VanDerWaalsContact O-CB 3.3Å; M80-F84 WeakPolarHBondContact O-CB 2.91Å; M80-F84 PolarHBondContact O-N 3.42Å |
| 81 | I | 96.1 | Very high | 95 | Very high | 99 Ų | 99 | 103.1 Ų | 103.1 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 176.2 | -71.2 | 165.3 | 0 | 0 | 0 | 110.7 | L77 V78 E79 F84 N85 | L77-I81 WeakPolarHBondContact O-CD1 3.3Å; L77-I81 VanDerWaalsContact O-CG1 3.23Å; L77-I81 WeakPolarHBondContact O-CG1 3.45Å; L77-I81 PolarHBondContact O-N 3.27Å; V78-I81 PolarHBondContact O-N 3.32Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-I81 PolarHBondContact O-N 3.41Å; I81-F84 PolarHBondContact O-N 3.26Å; I81-N85 WeakPolarHBondContact CG2-ND2 3.38Å; I81-N85 WeakPolarHBondContact O-CB 3.43Å; I81-N85 PolarHBondContact O-N 2.92Å; I81-N85 PolarHBondContact O-ND2 3.44Å; I81-N85 VanDerWaalsContact O-ND2 3.16Å |
| 82 | D | 96.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 100.7 Ų | 100.7 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 177.8 | -79.8 | -17 | 0 | 0 | 0 | 112 | V78 E79 S86 | V78-D82 PolarHBondContact O-N 3.37Å; E79-D82 PolarHBondContact O-N 2.83Å; D82-S86 VanDerWaalsContact O-CB 3.27Å; D82-S86 WeakPolarHBondContact O-CB 3.48Å; D82-S86 PolarHBondContact O-N 2.96Å; D82-S86 PolarHBondContact O-OG 2.98Å |
| 83 | E | 96.2 | Very high | 93.6 | Very high | 101 Ų | 101 | 99.1 Ų | 99.1 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 172.5 | -170.8 | -176.2 | 178.8 | 0 | 0 | 110.9 | E79 N85 S86 R87 | E79-E83 WeakPolarHBondContact O-CB 3.35Å; E79-E83 PolarHBondContact O-N 3.33Å; E83-N85 PolarHBondContact O-N 2.93Å; E83-S86 PolarHBondContact O-N 3.49Å; E83-R87 WeakPolarHBondContact O-CG 3.49Å; E83-R87 PolarHBondContact O-N 3.32Å; E83-R87 IonicContact OE1-CZ 3.45Å; E83-R87 IonicContact OE1-NE 3.19Å; E83-R87 PolarHBondContact OE1-NE 3.18Å; E83-R87 IonicContact OE1-NH2 2.85Å; E83-R87 PolarHBondContact OE1-NH2 2.96Å |
| 84 | F | 95.2 | Very high | 92.9 | Very high | 135 Ų | 135 | 96.1 Ų | 96.1 | 59% | 0.592 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.5 | -47.7 | 177.1 | 176.1 | -95.7 | 0 | 0 | 0 | 111.6 | M80 I81 S86 R87 R88 | M80-F84 VanDerWaalsContact O-CB 3.3Å; M80-F84 WeakPolarHBondContact O-CB 2.91Å; M80-F84 PolarHBondContact O-N 3.42Å; I81-F84 PolarHBondContact O-N 3.26Å; F84-S86 VanDerWaalsContact C-N 3.31Å; F84-S86 PolarHBondContact O-N 2.92Å; F84-R87 PolarHBondContact O-N 2.86Å; F84-R88 WeakPolarHBondContact O-CB 3.39Å; F84-R88 PolarHBondContact O-N 3.01Å |
| 85 | N | 94.6 | Very high | 91.9 | Very high | 50 Ų | 50 | 98.5 Ų | 98.5 | 27% | 0.267 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 177.8 | -77.6 | -38 | 0 | 0 | 0 | 112.2 | I81 E83 R88 R89 | I81-N85 WeakPolarHBondContact CG2-ND2 3.38Å; I81-N85 WeakPolarHBondContact O-CB 3.43Å; I81-N85 PolarHBondContact O-N 2.92Å; I81-N85 PolarHBondContact O-ND2 3.44Å; I81-N85 VanDerWaalsContact O-ND2 3.16Å; E83-N85 PolarHBondContact O-N 2.93Å; N85-R88 PolarHBondContact O-N 3.13Å; N85-R89 WeakPolarHBondContact O-CG 3.4Å; N85-R89 PolarHBondContact O-N 3.31Å |
| 86 | S | 94.8 | Very high | 90.9 | Very high | 43 Ų | 43 | 104.1 Ų | 104.1 | 30% | 0.301 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.7 | -44 | 176.5 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | D82 E83 F84 R88 R89 N90 | D82-S86 VanDerWaalsContact O-CB 3.27Å; D82-S86 WeakPolarHBondContact O-CB 3.48Å; D82-S86 PolarHBondContact O-N 2.96Å; D82-S86 PolarHBondContact O-OG 2.98Å; E83-S86 PolarHBondContact O-N 3.49Å; F84-S86 VanDerWaalsContact C-N 3.31Å; F84-S86 PolarHBondContact O-N 2.92Å; S86-R88 VanDerWaalsContact C-N 3.33Å; S86-R88 PolarHBondContact O-N 3.3Å; S86-R89 PolarHBondContact O-N 3.2Å; S86-R89 PolarHBondContact OG-NH2 3.29Å; S86-N90 WeakPolarHBondContact O-CB 3.32Å; S86-N90 VanDerWaalsContact O-CG 3.25Å; S86-N90 PolarHBondContact O-N 3.32Å; S86-N90 PolarHBondContact O-ND2 3.42Å |
| 87 | R | 93.1 | Very high | 89.7 | Confident | 166 Ų | 166 | 104.1 Ų | 104.1 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.9 | -43 | 172.8 | -71.2 | 174.4 | 179.9 | -129.2 | 6.8 | 111.4 | E83 F84 N90 S91 | E83-R87 WeakPolarHBondContact O-CG 3.49Å; E83-R87 PolarHBondContact O-N 3.32Å; E83-R87 IonicContact OE1-CZ 3.45Å; E83-R87 IonicContact OE1-NE 3.19Å; E83-R87 PolarHBondContact OE1-NE 3.18Å; E83-R87 IonicContact OE1-NH2 2.85Å; E83-R87 PolarHBondContact OE1-NH2 2.96Å; F84-R87 PolarHBondContact O-N 2.86Å; R87-N90 PolarHBondContact O-N 3.46Å; R87-S91 WeakPolarHBondContact O-CB 3.46Å; R87-S91 PolarHBondContact O-N 3.38Å |
| 88 | R | 92.5 | Very high | 88.1 | Confident | 121 Ų | 121 | 101.6 Ų | 101.6 | 46% | 0.457 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -50.2 | 176.4 | -170.2 | 177.7 | 73.2 | 96.3 | -7.5 | 111.8 | F84 N85 S86 N90 S91 E92 | F84-R88 WeakPolarHBondContact O-CB 3.39Å; F84-R88 PolarHBondContact O-N 3.01Å; N85-R88 PolarHBondContact O-N 3.13Å; S86-R88 VanDerWaalsContact C-N 3.33Å; S86-R88 PolarHBondContact O-N 3.3Å; R88-N90 PolarHBondContact O-N 3.42Å; R88-S91 PolarHBondContact O-N 2.84Å; R88-E92 WeakPolarHBondContact CG-OE1 3.35Å; R88-E92 IonicContact CZ-OE1 3.67Å; R88-E92 IonicContact NH1-OE1 2.97Å; R88-E92 PolarHBondContact NH1-OE1 3.02Å; R88-E92 IonicContact NH1-OE2 2.64Å; R88-E92 WeakPolarHBondContact O-CG 3.43Å; R88-E92 PolarHBondContact O-N 3.07Å |
| 89 | R | 91.9 | Very high | 86.4 | Confident | 144 Ų | 144 | 102.9 Ų | 102.9 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 177.3 | -75.2 | -175.5 | -62.9 | -137 | -1.1 | 112.4 | N85 S86 E92 A93 | N85-R89 WeakPolarHBondContact O-CG 3.4Å; N85-R89 PolarHBondContact O-N 3.31Å; S86-R89 PolarHBondContact O-N 3.2Å; S86-R89 PolarHBondContact OG-NH2 3.29Å; R89-E92 PolarHBondContact O-N 3.3Å; R89-A93 VanDerWaalsContact O-CB 3.31Å; R89-A93 WeakPolarHBondContact O-CB 3.37Å; R89-A93 PolarHBondContact O-N 3.02Å |
| 90 | N | 89.6 | Confident | 84.6 | Confident | 110 Ų | 110 | 101.2 Ų | 101.2 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -40.8 | 178.9 | -70 | -12.6 | 0 | 0 | 0 | 111.8 | S86 R87 R88 A93 S94 | S86-N90 WeakPolarHBondContact O-CB 3.32Å; S86-N90 VanDerWaalsContact O-CG 3.25Å; S86-N90 PolarHBondContact O-N 3.32Å; S86-N90 PolarHBondContact O-ND2 3.42Å; R87-N90 PolarHBondContact O-N 3.46Å; R88-N90 PolarHBondContact O-N 3.42Å; N90-A93 PolarHBondContact O-N 2.78Å; N90-S94 PolarHBondContact O-N 3.44Å; N90-S94 PolarHBondContact O-OG 3.43Å; N90-S94 VanDerWaalsContact O-OG 3.14Å |
| 91 | S | 87.9 | Confident | 82.6 | Confident | 58 Ų | 58 | 102.9 Ų | 102.9 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 175.1 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | R87 R88 A93 S94 R95 | R87-S91 WeakPolarHBondContact O-CB 3.46Å; R87-S91 PolarHBondContact O-N 3.38Å; R88-S91 PolarHBondContact O-N 2.84Å; S91-A93 VanDerWaalsContact C-N 3.33Å; S91-A93 PolarHBondContact O-N 2.95Å; S91-S94 PolarHBondContact O-N 2.83Å; S91-R95 WeakPolarHBondContact O-CG 3.48Å; S91-R95 PolarHBondContact O-N 3.39Å; S91-R95 VanDerWaalsContact O-N 3.1Å |
| 92 | E | 84.9 | Confident | 80.3 | Confident | 75 Ų | 75 | 104.6 Ų | 104.6 | 35% | 0.35 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 174.8 | -72.9 | 170.8 | -172.8 | 0 | 0 | 111.8 | R88 R89 R95 Q96 | R88-E92 WeakPolarHBondContact CG-OE1 3.35Å; R88-E92 IonicContact CZ-OE1 3.67Å; R88-E92 IonicContact NH1-OE1 2.97Å; R88-E92 PolarHBondContact NH1-OE1 3.02Å; R88-E92 IonicContact NH1-OE2 2.64Å; R88-E92 WeakPolarHBondContact O-CG 3.43Å; R88-E92 PolarHBondContact O-N 3.07Å; R89-E92 PolarHBondContact O-N 3.3Å; E92-R95 PolarHBondContact O-N 3.48Å; E92-Q96 WeakPolarHBondContact O-CG 3.25Å; E92-Q96 PolarHBondContact O-N 3.42Å |
| 93 | A | 80.2 | Confident | 78.1 | Confident | 42 Ų | 42 | 106.2 Ų | 106.2 | 35% | 0.347 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R89 N90 S91 R95 Q96 L97 | R89-A93 VanDerWaalsContact O-CB 3.31Å; R89-A93 WeakPolarHBondContact O-CB 3.37Å; R89-A93 PolarHBondContact O-N 3.02Å; N90-A93 PolarHBondContact O-N 2.78Å; S91-A93 VanDerWaalsContact C-N 3.33Å; S91-A93 PolarHBondContact O-N 2.95Å; A93-R95 VanDerWaalsContact C-N 3.28Å; A93-R95 PolarHBondContact O-N 3.47Å; A93-Q96 PolarHBondContact O-N 3.42Å; A93-Q96 VanDerWaalsContact O-N 3.16Å; A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 2.94Å |
| 94 | S | 80.9 | Confident | 75.7 | Confident | 49 Ų | 49 | 109.3 Ų | 109.3 | 34% | 0.343 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 175.4 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | N90 S91 L97 G98 L99 | N90-S94 PolarHBondContact O-N 3.44Å; N90-S94 PolarHBondContact O-OG 3.43Å; N90-S94 VanDerWaalsContact O-OG 3.14Å; S91-S94 PolarHBondContact O-N 2.83Å; S94-L97 PolarHBondContact O-N 3.01Å; S94-G98 PolarHBondContact O-N 2.86Å; S94-L99 PolarHBondContact O-N 3.11Å |
| 95 | R | 76.1 | Confident | 73.5 | Confident | 172 Ų | 172 | 108.5 Ų | 108.5 | 65% | 0.649 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.3 | -43.2 | 173.7 | -74.6 | 177.3 | 176.2 | -178.7 | 1.1 | 112.3 | S91 E92 A93 L97 G98 D100 | S91-R95 WeakPolarHBondContact O-CG 3.48Å; S91-R95 PolarHBondContact O-N 3.39Å; S91-R95 VanDerWaalsContact O-N 3.1Å; E92-R95 PolarHBondContact O-N 3.48Å; A93-R95 VanDerWaalsContact C-N 3.28Å; A93-R95 PolarHBondContact O-N 3.47Å; R95-L97 VanDerWaalsContact C-N 3.31Å; R95-L97 PolarHBondContact O-N 3.33Å; R95-G98 PolarHBondContact O-N 2.88Å; R95-G98 VanDerWaalsContact O-N 3.17Å; R95-D100 VanDerWaalsContact CG-OD2 3.31Å; R95-D100 WeakPolarHBondContact CG-OD2 3.39Å |
| 96 | Q | 75.4 | Confident | 71.2 | Confident | 168 Ų | 168 | 109.4 Ų | 109.4 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.3 | -30.8 | 177.3 | -73 | 176.5 | 38.8 | 0 | 0 | 112.9 | E92 A93 G98 | E92-Q96 WeakPolarHBondContact O-CG 3.25Å; E92-Q96 PolarHBondContact O-N 3.42Å; A93-Q96 PolarHBondContact O-N 3.42Å; A93-Q96 VanDerWaalsContact O-N 3.16Å; Q96-G98 PolarHBondContact O-N 3.5Å |
| 97 | L | 72.7 | Confident | 69 | Low | 131 Ų | 131 | 116.7 Ų | 116.7 | 69% | 0.686 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -0.8 | 174.4 | -69.9 | 171 | 0 | 0 | 0 | 113.4 | A93 S94 R95 L99 | A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 2.94Å; S94-L97 PolarHBondContact O-N 3.01Å; R95-L97 VanDerWaalsContact C-N 3.31Å; R95-L97 PolarHBondContact O-N 3.33Å; L97-L99 HydrophobicContact CB-CD1 4.11Å; L97-L99 HydrophobicContact CB-CG 4.03Å; L97-L99 HydrophobicContact CD1-CD1 4.3Å; L97-L99 PolarHBondContact O-N 2.99Å |
| 98 | G | 62.9 | Low | 67.1 | Low | 40 Ų | 40 | 116.1 Ų | 116.1 | 41% | 0.412 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 65.7 | 19.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | S94 R95 Q96 D100 D101 | S94-G98 PolarHBondContact O-N 2.86Å; R95-G98 PolarHBondContact O-N 2.88Å; R95-G98 VanDerWaalsContact O-N 3.17Å; Q96-G98 PolarHBondContact O-N 3.5Å; G98-D100 VanDerWaalsContact C-N 3.26Å; G98-D100 PolarHBondContact O-N 2.9Å; G98-D101 PolarHBondContact O-N 3.32Å |
| 99 | L | 61 | Low | 65.1 | Low | 106 Ų | 106 | 117.6 Ų | 117.6 | 56% | 0.555 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -73.8 | -16.9 | -177.1 | -69.2 | 171.8 | 0 | 0 | 0 | 113.1 | S94 L97 | S94-L99 PolarHBondContact O-N 3.11Å; L97-L99 HydrophobicContact CB-CD1 4.11Å; L97-L99 HydrophobicContact CB-CG 4.03Å; L97-L99 HydrophobicContact CD1-CD1 4.3Å; L97-L99 PolarHBondContact O-N 2.99Å |
| 100 | D | 57.5 | Low | 63.1 | Low | 103 Ų | 103 | 117.2 Ų | 117.2 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -79.5 | -14.7 | 176.7 | -74.8 | -22.5 | 0 | 0 | 0 | 113.1 | R95 G98 | R95-D100 VanDerWaalsContact CG-OD2 3.31Å; R95-D100 WeakPolarHBondContact CG-OD2 3.39Å; G98-D100 VanDerWaalsContact C-N 3.26Å; G98-D100 PolarHBondContact O-N 2.9Å |
| 101 | D | 55.2 | Low | 61.4 | Low | 155 Ų | 155 | 117.7 Ų | 117.7 | 83% | 0.829 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -92 | 1.9 | -177.2 | -126.2 | 13.1 | 0 | 0 | 0 | 113.6 | G98 | G98-D101 PolarHBondContact O-N 3.32Š|
| 102 | L | 48.5 | Very low | 59.8 | Low | 135 Ų | 135 | 120.9 Ų | 120.9 | 71% | 0.707 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -97.3 | 19.8 | 178.9 | -93.6 | 156.6 | 0 | 0 | 0 | 113.8 | Q104 | L102-Q104 PolarHBondContact O-N 3.25Š|
| 103 | V | 49 | Very low | 58.7 | Low | 126 Ų | 126 | 121.7 Ų | 121.7 | 76% | 0.764 | 67% | 0.672 | S | S | * | * | trans | -76.3 | 77.1 | 154.3 | -173.3 | 0 | 0 | 0 | 0 | 107 | P105 | V103-P105 VanDerWaalsContact O-CD 3.3Å; V103-P105 WeakPolarHBondContact O-CD 3.43Å; V103-P105 VanDerWaalsContact O-N 3.15Å | ||
| 104 | Q | 46 | Very low | 57.3 | Low | 167 Ų | 167 | 125.2 Ų | 125.2 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 119.3 | 162.8 | -102.4 | -174.7 | -22 | 0 | 0 | 107.3 | L102 G106 | L102-Q104 PolarHBondContact O-N 3.25Å; Q104-G106 PolarHBondContact O-N 2.84Å |
| 105 | P | 48 | Very low | 55.5 | Low | 118 Ų | 118 | 127.2 Ų | 127.2 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 134.2 | 175 | 22 | -30.3 | 0 | 0 | 0 | 108.7 | V103 Y107 | V103-P105 VanDerWaalsContact O-CD 3.3Å; V103-P105 WeakPolarHBondContact O-CD 3.43Å; V103-P105 VanDerWaalsContact O-N 3.15Å; P105-Y107 PolarHBondContact O-N 3.14Å |
| 106 | G | 48.1 | Very low | 54.4 | Low | 68 Ų | 68 | 132.2 Ų | 132.2 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -46.6 | 129.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q104 D108 | Q104-G106 PolarHBondContact O-N 2.84Å; G106-D108 PolarHBondContact O-N 3.44Å |
| 107 | Y | 47.8 | Very low | 53.3 | Low | 197 Ų | 197 | 130.4 Ų | 130.4 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | 18.7 | 93.9 | 150.5 | -70.7 | -84.4 | 0 | 0 | 0 | 115.1 | P105 Q109 | P105-Y107 PolarHBondContact O-N 3.14Å; Y107-Q109 HydrophobicContact CD1-CG 4.36Å; Y107-Q109 PolarHBondContact O-N 2.87Å | ||
| 108 | D | 52.8 | Low | 52.3 | Low | 154 Ų | 154 | 130.4 Ų | 130.4 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -53.8 | 90.5 | 143.9 | -165.1 | 6.9 | 0 | 0 | 0 | 107.7 | G106 | G106-D108 PolarHBondContact O-N 3.44Š| ||
| 109 | Q | 50.7 | Low | 51.7 | Low | 151 Ų | 151 | 135.4 Ų | 135.4 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -114 | 94.7 | 170.8 | -88.1 | -170.4 | 16.4 | 0 | 0 | 109.7 | Y107 | Y107-Q109 HydrophobicContact CD1-CG 4.36Å; Y107-Q109 PolarHBondContact O-N 2.87Å | ||
| 110 | N | 49.4 | Very low | 51.1 | Low | 137 Ų | 137 | 137.1 Ų | 137.1 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 70.7 | 96.6 | 148.1 | -82.3 | -9.3 | 0 | 0 | 0 | 119 | ||||
| 111 | P | 55.3 | Low | 50.7 | Low | 119 Ų | 119 | 139.3 Ų | 139.3 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -90 | 91.8 | 132.2 | 34.2 | -20.1 | 0 | 0 | 0 | 107.9 | ||||
| 112 | D | 54.4 | Low | 50.4 | Low | 125 Ų | 125 | 138.2 Ų | 138.2 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | -118.9 | 101.3 | 160.3 | -146 | -6.6 | 0 | 0 | 0 | 110.4 | T114 | D112-T114 PolarHBondContact O-N 3.42Š| ||
| 113 | A | 60.3 | Low | 50.6 | Low | 92 Ų | 92 | 138.4 Ų | 138.4 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -89.5 | 74.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 114 | T | 50.5 | Low | 50.7 | Low | 117 Ų | 117 | 139.4 Ų | 139.4 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -86.8 | 95 | 150 | 27.9 | 0 | 0 | 0 | 0 | 105.9 | D112 | D112-T114 PolarHBondContact O-N 3.42Š| ||
| 115 | S | 44.8 | Very low | 51.1 | Low | 91 Ų | 91 | 137.1 Ų | 137.1 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | 43.3 | 73.6 | 66.1 | -157.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 116 | F | 51.1 | Low | 51.4 | Low | 276 Ų | 276 | 138.8 Ų | 138.8 | 100% | 1.211 | 77% | 0.773 | S | S | * | * | -179.5 | 0 | 118.6 | -90.9 | -70.8 | 0 | 0 | 0 | 109.3 |
Retrieved 116 of 116 residues in 274.8 ms
(Link to these results)