| 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 | 65.3 | Low | 76.2 | Confident | 212 Ų | 212 | 105.1 Ų | 105.1 | 100% | 1.044 | 58% | 0.578 | S | S | * | * | 0 | -41.2 | 0 | -71.2 | -177.6 | -174.6 | 0 | 0 | 113.2 | S3 F4 | M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.28Å; M1-F4 PolarHBondContact O-N 2.8Å | |||
| 2 | A | 70.1 | Confident | 76.2 | Confident | 84 Ų | 84 | 105.3 Ų | 105.3 | 69% | 0.694 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57.1 | -35 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | F4 I5 A6 | A2-F4 VanDerWaalsContact C-N 3.32Å; A2-F4 PolarHBondContact O-N 3.29Å; A2-I5 PolarHBondContact O-N 2.91Å; A2-A6 PolarHBondContact O-N 3.35Å |
| 3 | S | 72.6 | Confident | 75.8 | Confident | 100 Ų | 100 | 107.9 Ų | 107.9 | 70% | 0.699 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.8 | -29.6 | 179 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | M1 K7 | M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.28Å; S3-K7 PolarHBondContact O-N 3.32Å |
| 4 | F | 81.2 | Confident | 75 | Confident | 130 Ų | 130 | 108.2 Ų | 108.2 | 57% | 0.57 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -74.6 | -40.6 | 178.4 | -176.1 | -99.8 | 0 | 0 | 0 | 111.6 | M1 A2 A6 K7 Q8 | M1-F4 PolarHBondContact O-N 2.8Å; A2-F4 VanDerWaalsContact C-N 3.32Å; A2-F4 PolarHBondContact O-N 3.29Å; F4-A6 VanDerWaalsContact C-N 3.34Å; F4-A6 PolarHBondContact O-N 3.16Å; F4-K7 WeakPolarHBondContact O-CB 3.41Å; F4-K7 PolarHBondContact O-N 2.85Å; F4-Q8 HydrophobicContact CE1-CG 4.27Å; F4-Q8 HydrophobicContact CZ-CG 4.43Å; F4-Q8 PolarHBondContact O-N 3.48Å; F4-Q8 VanDerWaalsContact O-N 3.13Å |
| 5 | I | 78.9 | Confident | 74.7 | Confident | 95 Ų | 95 | 108.5 Ų | 108.5 | 49% | 0.487 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63 | -41.4 | 175.4 | -58.8 | -59.5 | 0 | 0 | 0 | 110.8 | A2 K7 Q8 L9 | A2-I5 PolarHBondContact O-N 2.91Å; I5-K7 VanDerWaalsContact C-N 3.35Å; I5-K7 PolarHBondContact O-N 2.84Å; I5-Q8 PolarHBondContact O-N 3.3Å; I5-L9 HydrophobicContact CG2-CD1 4.18Å; I5-L9 WeakPolarHBondContact O-CG 3.44Å; I5-L9 PolarHBondContact O-N 2.86Å; I5-L9 VanDerWaalsContact O-N 3.08Å |
| 6 | A | 78.7 | Confident | 74.3 | Confident | 44 Ų | 44 | 107 Ų | 107 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.1 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2 F4 Q8 L9 I10 | A2-A6 PolarHBondContact O-N 3.35Å; F4-A6 VanDerWaalsContact C-N 3.34Å; F4-A6 PolarHBondContact O-N 3.16Å; A6-Q8 PolarHBondContact O-N 2.8Å; A6-L9 PolarHBondContact O-N 2.82Å; A6-I10 WeakPolarHBondContact O-CB 3.32Å; A6-I10 WeakPolarHBondContact O-CD1 3.44Å; A6-I10 WeakPolarHBondContact O-CG1 3.37Å; A6-I10 PolarHBondContact O-N 2.86Å |
| 7 | K | 79.3 | Confident | 73.9 | Confident | 163 Ų | 163 | 105.9 Ų | 105.9 | 71% | 0.709 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62 | -42.2 | 177.5 | -164.5 | 90.5 | 179.4 | -171.6 | 0 | 111.9 | S3 F4 I5 G11 | S3-K7 PolarHBondContact O-N 3.32Å; F4-K7 WeakPolarHBondContact O-CB 3.41Å; F4-K7 PolarHBondContact O-N 2.85Å; I5-K7 VanDerWaalsContact C-N 3.35Å; I5-K7 PolarHBondContact O-N 2.84Å; K7-G11 PolarHBondContact O-N 3.46Å |
| 8 | Q | 79.5 | Confident | 73.3 | Confident | 99 Ų | 99 | 109.2 Ų | 109.2 | 46% | 0.463 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.6 | -41.2 | 177.8 | -76.3 | -174.6 | -26.6 | 0 | 0 | 112.4 | F4 I5 A6 G11 N12 | F4-Q8 HydrophobicContact CE1-CG 4.27Å; F4-Q8 HydrophobicContact CZ-CG 4.43Å; F4-Q8 PolarHBondContact O-N 3.48Å; F4-Q8 VanDerWaalsContact O-N 3.13Å; I5-Q8 PolarHBondContact O-N 3.3Å; A6-Q8 PolarHBondContact O-N 2.8Å; Q8-G11 PolarHBondContact O-N 3.25Å; Q8-N12 VanDerWaalsContact O-CG 3.26Å; Q8-N12 PolarHBondContact O-N 2.76Å; Q8-N12 VanDerWaalsContact O-N 3.14Å; Q8-N12 PolarHBondContact O-OD1 3.33Å |
| 9 | L | 80.8 | Confident | 72.6 | Confident | 107 Ų | 107 | 106.2 Ų | 106.2 | 56% | 0.56 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.7 | -42.8 | 177.6 | -69.3 | 174.4 | 0 | 0 | 0 | 112.3 | I5 A6 Q13 | I5-L9 HydrophobicContact CG2-CD1 4.18Å; I5-L9 WeakPolarHBondContact O-CG 3.44Å; I5-L9 PolarHBondContact O-N 2.86Å; I5-L9 VanDerWaalsContact O-N 3.08Å; A6-L9 PolarHBondContact O-N 2.82Å; L9-Q13 WeakPolarHBondContact O-CG 3.2Å; L9-Q13 PolarHBondContact O-N 3.36Å; L9-Q13 VanDerWaalsContact O-N 3.16Å |
| 10 | I | 77.7 | Confident | 72 | Confident | 95 Ų | 95 | 104.9 Ų | 104.9 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.9 | -39.5 | 177.6 | -69.5 | 160.3 | 0 | 0 | 0 | 111 | A6 Q13 L14 | A6-I10 WeakPolarHBondContact O-CB 3.32Å; A6-I10 WeakPolarHBondContact O-CD1 3.44Å; A6-I10 WeakPolarHBondContact O-CG1 3.37Å; A6-I10 PolarHBondContact O-N 2.86Å; I10-Q13 PolarHBondContact O-N 2.98Å; I10-L14 HydrophobicContact CG2-CD1 3.85Å; I10-L14 HydrophobicContact CG2-CG 4.32Å; I10-L14 WeakPolarHBondContact O-CG 3.39Å; I10-L14 PolarHBondContact O-N 3.28Å |
| 11 | G | 73.9 | Confident | 70.8 | Confident | 27 Ų | 27 | 107.2 Ų | 107.2 | 28% | 0.278 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58.5 | -50.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K7 Q8 Q13 L14 D15 | K7-G11 PolarHBondContact O-N 3.46Å; Q8-G11 PolarHBondContact O-N 3.25Å; G11-Q13 VanDerWaalsContact C-N 3.31Å; G11-Q13 PolarHBondContact O-N 3.04Å; G11-L14 PolarHBondContact O-N 3.23Å; G11-D15 PolarHBondContact O-N 2.83Å |
| 12 | N | 76.4 | Confident | 70 | Confident | 108 Ų | 108 | 100.2 Ų | 100.2 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.9 | -33.1 | -179.6 | -64.1 | -8.1 | 0 | 0 | 0 | 112.8 | Q8 S16 | Q8-N12 VanDerWaalsContact O-CG 3.26Å; Q8-N12 PolarHBondContact O-N 2.76Å; Q8-N12 VanDerWaalsContact O-N 3.14Å; Q8-N12 PolarHBondContact O-OD1 3.33Å; N12-S16 PolarHBondContact O-N 3Å; N12-S16 PolarHBondContact O-OG 2.99Å |
| 13 | Q | 71.4 | Confident | 69 | Low | 139 Ų | 139 | 102.6 Ų | 102.6 | 65% | 0.65 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.9 | -39.7 | 175.2 | -75.2 | -171.9 | -8.1 | 0 | 0 | 112.4 | L9 I10 G11 V17 | L9-Q13 WeakPolarHBondContact O-CG 3.2Å; L9-Q13 PolarHBondContact O-N 3.36Å; L9-Q13 VanDerWaalsContact O-N 3.16Å; I10-Q13 PolarHBondContact O-N 2.98Å; G11-Q13 VanDerWaalsContact C-N 3.31Å; G11-Q13 PolarHBondContact O-N 3.04Å; Q13-V17 WeakPolarHBondContact O-CG2 3.32Å; Q13-V17 PolarHBondContact O-N 2.7Å |
| 14 | L | 64.7 | Low | 67.6 | Low | 112 Ų | 112 | 107.3 Ų | 107.3 | 59% | 0.586 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71 | -36.3 | 178.5 | -71.2 | 173.6 | 0 | 0 | 0 | 112.5 | I10 G11 S16 V17 K18 | I10-L14 HydrophobicContact CG2-CD1 3.85Å; I10-L14 HydrophobicContact CG2-CG 4.32Å; I10-L14 WeakPolarHBondContact O-CG 3.39Å; I10-L14 PolarHBondContact O-N 3.28Å; G11-L14 PolarHBondContact O-N 3.23Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 3.05Å; L14-V17 PolarHBondContact O-N 2.92Å; L14-K18 VanDerWaalsContact O-CB 3.31Å; L14-K18 WeakPolarHBondContact O-CB 3.1Å; L14-K18 PolarHBondContact O-N 3Å |
| 15 | D | 69.7 | Low | 65.7 | Low | 113 Ų | 113 | 109.1 Ų | 109.1 | 60% | 0.604 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.3 | -36.3 | 177.5 | -77.5 | -25 | 0 | 0 | 0 | 112.1 | G11 K18 G19 | G11-D15 PolarHBondContact O-N 2.83Å; D15-K18 PolarHBondContact O-N 2.72Å; D15-G19 PolarHBondContact O-N 2.85Å |
| 16 | S | 68.2 | Low | 64.2 | Low | 84 Ų | 84 | 112.3 Ų | 112.3 | 59% | 0.587 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.2 | -40.3 | 175.8 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | N12 L14 A20 | N12-S16 PolarHBondContact O-N 3Å; N12-S16 PolarHBondContact O-OG 2.99Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 3.05Å; S16-A20 PolarHBondContact O-N 2.89Å; S16-A20 VanDerWaalsContact O-N 3.09Å |
| 17 | V | 67.9 | Low | 62.4 | Low | 88 Ų | 88 | 118 Ų | 118 | 53% | 0.533 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -74.6 | -34.1 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | Q13 L14 G19 A20 L21 | Q13-V17 WeakPolarHBondContact O-CG2 3.32Å; Q13-V17 PolarHBondContact O-N 2.7Å; L14-V17 PolarHBondContact O-N 2.92Å; V17-G19 VanDerWaalsContact C-N 3.32Å; V17-G19 PolarHBondContact O-N 2.84Å; V17-A20 PolarHBondContact O-N 3.21Å; V17-L21 WeakPolarHBondContact O-CB 3.38Å; V17-L21 PolarHBondContact O-N 3.3Å |
| 18 | K | 62.5 | Low | 60.3 | Low | 166 Ų | 166 | 113.9 Ų | 113.9 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.9 | -36.1 | 174.7 | -169.7 | 170.6 | -177.9 | 178.8 | 0 | 111.9 | L14 D15 G22 | L14-K18 VanDerWaalsContact O-CB 3.31Å; L14-K18 WeakPolarHBondContact O-CB 3.1Å; L14-K18 PolarHBondContact O-N 3Å; D15-K18 PolarHBondContact O-N 2.72Å; K18-G22 PolarHBondContact O-N 2.82Å |
| 19 | G | 60.9 | Low | 58.2 | Low | 51 Ų | 51 | 118.2 Ų | 118.2 | 53% | 0.526 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -65.9 | -42.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D15 V17 L21 G22 | D15-G19 PolarHBondContact O-N 2.85Å; V17-G19 VanDerWaalsContact C-N 3.32Å; V17-G19 PolarHBondContact O-N 2.84Å; G19-L21 PolarHBondContact O-N 3.09Å; G19-G22 PolarHBondContact O-N 3.28Å |
| 20 | A | 60.9 | Low | 56 | Low | 81 Ų | 81 | 116.9 Ų | 116.9 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.4 | -28.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S16 V17 | S16-A20 PolarHBondContact O-N 2.89Å; S16-A20 VanDerWaalsContact O-N 3.09Å; V17-A20 PolarHBondContact O-N 3.21Å |
| 21 | L | 47.1 | Very low | 54.5 | Low | 154 Ų | 154 | 118 Ų | 118 | 81% | 0.806 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -89.1 | -12.4 | 178.7 | -143.8 | 77.9 | 0 | 0 | 0 | 113.2 | V17 G19 | V17-L21 WeakPolarHBondContact O-CB 3.38Å; V17-L21 PolarHBondContact O-N 3.3Å; G19-L21 PolarHBondContact O-N 3.09Å |
| 22 | G | 46.8 | Very low | 52.8 | Low | 65 Ų | 65 | 124.4 Ų | 124.4 | 67% | 0.67 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -89 | -14 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K18 G19 | K18-G22 PolarHBondContact O-N 2.82Å; G19-G22 PolarHBondContact O-N 3.28Å |
| 23 | D | 50.2 | Low | 50.6 | Low | 134 Ų | 134 | 122.5 Ų | 122.5 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | trans | -109.4 | 60.4 | -176.8 | -161.2 | 57.2 | 0 | 0 | 0 | 111.9 | ||||
| 24 | K | 42.8 | Very low | 48.9 | Very low | 198 Ų | 198 | 119.2 Ų | 119.2 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | trans | -137.7 | 89.5 | 160.7 | -136 | 174.4 | -175.3 | -178.7 | 0 | 109.5 | ||||
| 25 | K | 42.1 | Very low | 48.2 | Very low | 168 Ų | 168 | 126 Ų | 126 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | -40.9 | 131.3 | 160.7 | -64.6 | 176.8 | 174 | -171.2 | 0 | 110.9 | ||||
| 26 | D | 47.3 | Very low | 47.1 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | trans | -139.6 | 125.8 | 136 | -145.1 | -2.1 | 0 | 0 | 0 | 108.6 | ||||
| 27 | E | 39.2 | Very low | 46.3 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -99.9 | 133.1 | -178.6 | -64.3 | -173.1 | -177 | 0 | 0 | 106.7 | ||||
| 28 | G | 35.3 | Very low | 45.7 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 174.8 | 75 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 29 | E | 36.7 | Very low | 45.3 | Very low | 191 Ų | 191 | 132.9 Ų | 132.9 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | 33.1 | 97.4 | 136.1 | -155.2 | 179.1 | -172.7 | 0 | 0 | 117.8 | ||||
| 30 | G | 35 | Very low | 45.5 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | trans | -137.7 | 61.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L32 | G30-L32 PolarHBondContact O-N 3.48Š| ||
| 31 | V | 44.6 | Very low | 45.7 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | trans | -53 | 116.7 | 170.7 | 170.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 32 | L | 38.1 | Very low | 46.6 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | 35.1 | 110.8 | 135.8 | -51.8 | 173.6 | 0 | 0 | 0 | 116.9 | G30 | G30-L32 PolarHBondContact O-N 3.48Š| ||
| 33 | G | 31.8 | Very low | 47.5 | Very low | 69 Ų | 69 | 137.3 Ų | 137.3 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 134.3 | 99.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 34 | G | 34.4 | Very low | 48.4 | Very low | 69 Ų | 69 | 133.1 Ų | 133.1 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | 66.4 | 111.4 | 126.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | K36 | G34-K36 VanDerWaalsContact C-N 3.3Å; G34-K36 PolarHBondContact O-N 2.88Å | |||
| 35 | R | 50.9 | Low | 49.8 | Very low | 256 Ų | 256 | 126.3 Ų | 126.3 | 97% | 0.966 | 71% | 0.707 | S | S | * | * | trans | 45.8 | 49.8 | 145.9 | -163.3 | 179 | 170.8 | -139.7 | -3.3 | 114 | ||||
| 36 | K | 46.6 | Very low | 51.3 | Low | 180 Ų | 180 | 124 Ų | 124 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | trans | -80.9 | 121.4 | 155.9 | -76 | 175.9 | -179.4 | 173.8 | 0 | 105.4 | G34 I38 | G34-K36 VanDerWaalsContact C-N 3.3Å; G34-K36 PolarHBondContact O-N 2.88Å; K36-I38 PolarHBondContact O-N 3.1Å | ||
| 37 | E | 51.7 | Low | 52.5 | Low | 187 Ų | 187 | 121.5 Ų | 121.5 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | -34.7 | 108.5 | 163 | -67.3 | 166.7 | 160.1 | 0 | 0 | 107.1 | D39 | E37-D39 PolarHBondContact O-N 3.37Å; E37-D39 VanDerWaalsContact O-N 3.1Å | ||
| 38 | I | 53.9 | Low | 54.4 | Low | 113 Ų | 113 | 118.4 Ų | 118.4 | 58% | 0.579 | 67% | 0.666 | S | S | * | * | trans | -59 | 121.1 | 177 | -68.5 | 162.4 | 0 | 0 | 0 | 104 | K36 V42 E43 | K36-I38 PolarHBondContact O-N 3.1Å; I38-V42 HydrophobicContact CG2-CB 3.93Å; I38-V42 HydrophobicContact CG2-CG1 4.05Å; I38-E43 HydrophobicContact CG2-CB 4.1Å | ||
| 39 | D | 54.5 | Low | 56.5 | Low | 114 Ų | 114 | 117.8 Ų | 117.8 | 61% | 0.61 | 65% | 0.653 | S | S | * | * | trans | -46.9 | 130.7 | 179.6 | -75.2 | -49.4 | 0 | 0 | 0 | 108.5 | E37 E41 V42 E43 | E37-D39 PolarHBondContact O-N 3.37Å; E37-D39 VanDerWaalsContact O-N 3.1Å; D39-E41 PolarHBondContact O-N 2.67Å; D39-V42 HydrophobicContact CB-CG2 4.27Å; D39-V42 PolarHBondContact O-N 3.42Å; D39-E43 PolarHBondContact O-N 3.05Å | ||
| 40 | P | 65.2 | Low | 58.6 | Low | 100 Ų | 100 | 113.4 Ų | 113.4 | 65% | 0.649 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -56.4 | -22.3 | -171.5 | 20.7 | -33.2 | 0 | 0 | 0 | 112.9 | A44 | P40-A44 VanDerWaalsContact O-CB 3.31Å; P40-A44 WeakPolarHBondContact O-CB 3.48Å; P40-A44 PolarHBondContact O-N 3.11Å |
| 41 | E | 66.5 | Low | 60.8 | Low | 164 Ų | 164 | 114.8 Ų | 114.8 | 77% | 0.766 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.3 | -38.2 | 174.6 | -61.2 | -173.5 | 175.7 | 0 | 0 | 113.3 | D39 A44 A45 | D39-E41 PolarHBondContact O-N 2.67Å; E41-A44 PolarHBondContact O-N 3.2Å; E41-A45 WeakPolarHBondContact O-CB 3.48Å; E41-A45 PolarHBondContact O-N 3.43Å |
| 42 | V | 64.6 | Low | 62.6 | Low | 84 Ų | 84 | 114.9 Ų | 114.9 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.2 | -37.8 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | I38 D39 A45 L46 | I38-V42 HydrophobicContact CG2-CB 3.93Å; I38-V42 HydrophobicContact CG2-CG1 4.05Å; D39-V42 HydrophobicContact CB-CG2 4.27Å; D39-V42 PolarHBondContact O-N 3.42Å; V42-A45 PolarHBondContact O-N 2.99Å; V42-L46 WeakPolarHBondContact O-CB 3.37Å; V42-L46 PolarHBondContact O-N 3.41Å |
| 43 | E | 67.1 | Low | 64.7 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 45% | 0.453 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.2 | -39.4 | 173.7 | -160.7 | -172.1 | 162.4 | 0 | 0 | 111.4 | I38 D39 L46 R47 | I38-E43 HydrophobicContact CG2-CB 4.1Å; D39-E43 PolarHBondContact O-N 3.05Å; E43-L46 PolarHBondContact O-N 2.94Å; E43-R47 VanDerWaalsContact CD-NH2 3.33Å; E43-R47 VanDerWaalsContact O-CB 3.32Å; E43-R47 WeakPolarHBondContact O-CB 3.17Å; E43-R47 PolarHBondContact O-N 3.33Å; E43-R47 IonicContact OE1-NH2 2.87Å; E43-R47 PolarHBondContact OE1-NH2 2.78Å |
| 44 | A | 68.7 | Low | 67.2 | Low | 45 Ų | 45 | 115.5 Ų | 115.5 | 37% | 0.372 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.9 | -42.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P40 E41 R47 E48 | P40-A44 VanDerWaalsContact O-CB 3.31Å; P40-A44 WeakPolarHBondContact O-CB 3.48Å; P40-A44 PolarHBondContact O-N 3.11Å; E41-A44 PolarHBondContact O-N 3.2Å; A44-R47 PolarHBondContact O-N 2.84Å; A44-E48 WeakPolarHBondContact O-CB 3.24Å; A44-E48 PolarHBondContact O-N 3.14Å |
| 45 | A | 72.2 | Confident | 69.7 | Low | 55 Ų | 55 | 114.9 Ų | 114.9 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66 | -38.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E41 V42 E48 A49 | E41-A45 WeakPolarHBondContact O-CB 3.48Å; E41-A45 PolarHBondContact O-N 3.43Å; V42-A45 PolarHBondContact O-N 2.99Å; A45-E48 PolarHBondContact O-N 2.98Å; A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 2.85Å |
| 46 | L | 72.7 | Confident | 71.5 | Confident | 120 Ų | 120 | 109.7 Ų | 109.7 | 63% | 0.628 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68 | -40.6 | 176.4 | -163.4 | 139 | 0 | 0 | 0 | 111.2 | V42 E43 A49 E50 | V42-L46 WeakPolarHBondContact O-CB 3.37Å; V42-L46 PolarHBondContact O-N 3.41Å; E43-L46 PolarHBondContact O-N 2.94Å; L46-A49 PolarHBondContact O-N 3.1Å; L46-E50 PolarHBondContact O-N 2.87Å |
| 47 | R | 74 | Confident | 73.5 | Confident | 110 Ų | 110 | 105.9 Ų | 105.9 | 42% | 0.415 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 173.5 | -166.2 | -178.1 | -60.1 | 110.1 | 1.4 | 111.8 | E43 A44 A49 E50 E51 | E43-R47 VanDerWaalsContact CD-NH2 3.33Å; E43-R47 VanDerWaalsContact O-CB 3.32Å; E43-R47 WeakPolarHBondContact O-CB 3.17Å; E43-R47 PolarHBondContact O-N 3.33Å; E43-R47 IonicContact OE1-NH2 2.87Å; E43-R47 PolarHBondContact OE1-NH2 2.78Å; A44-R47 PolarHBondContact O-N 2.84Å; R47-A49 VanDerWaalsContact C-N 3.34Å; R47-A49 PolarHBondContact O-N 3.46Å; R47-E50 PolarHBondContact O-N 3.41Å; R47-E51 HydrophobicContact CG-CG 4.46Å; R47-E51 WeakPolarHBondContact O-CB 3.31Å; R47-E51 VanDerWaalsContact O-CG 3.29Å; R47-E51 WeakPolarHBondContact O-CG 2.98Å; R47-E51 PolarHBondContact O-N 3.05Å |
| 48 | E | 77.1 | Confident | 75.3 | Confident | 99 Ų | 99 | 103.5 Ų | 103.5 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 177.8 | -168.9 | -170.2 | 170.2 | 0 | 0 | 111.9 | A44 A45 K52 | A44-E48 WeakPolarHBondContact O-CB 3.24Å; A44-E48 PolarHBondContact O-N 3.14Å; A45-E48 PolarHBondContact O-N 2.98Å; E48-K52 HydrophobicContact CG-CD 4.38Å; E48-K52 WeakPolarHBondContact O-CB 3.29Å; E48-K52 VanDerWaalsContact O-CG 3.28Å; E48-K52 WeakPolarHBondContact O-CG 3.23Å; E48-K52 PolarHBondContact O-N 2.73Å; E48-K52 WeakPolarHBondContact OE1-CE 3.18Å; E48-K52 IonicContact OE1-NZ 2.88Å; E48-K52 PolarHBondContact OE1-NZ 2.8Å |
| 49 | A | 80.5 | Confident | 77 | Confident | 62 Ų | 62 | 104.1 Ų | 104.1 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A45 L46 R47 R53 | A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 2.85Å; L46-A49 PolarHBondContact O-N 3.1Å; R47-A49 VanDerWaalsContact C-N 3.34Å; R47-A49 PolarHBondContact O-N 3.46Å; A49-R53 PolarHBondContact O-N 3.22Å; A49-R53 VanDerWaalsContact O-N 3.11Å |
| 50 | E | 81.2 | Confident | 78.6 | Confident | 99 Ų | 99 | 103.8 Ų | 103.8 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 173.8 | -178 | 160.2 | -135.7 | 0 | 0 | 111.6 | L46 R47 K52 R53 E54 | L46-E50 PolarHBondContact O-N 2.87Å; R47-E50 PolarHBondContact O-N 3.41Å; E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 2.74Å; E50-R53 CarbonylContact O-C 3.6Å; E50-R53 WeakPolarHBondContact O-CB 3.46Å; E50-R53 PolarHBondContact O-N 2.92Å; E50-R53 VanDerWaalsContact O-N 3.08Å; E50-R53 IonicContact OE1-NH2 2.65Å; E50-E54 WeakPolarHBondContact O-CB 3.07Å; E50-E54 PolarHBondContact O-N 3.28Å |
| 51 | E | 79.7 | Confident | 79.8 | Confident | 108 Ų | 108 | 105 Ų | 105 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 176 | -76.4 | 176.4 | -168.1 | 0 | 0 | 111.6 | R47 R53 E54 A55 | R47-E51 HydrophobicContact CG-CG 4.46Å; R47-E51 WeakPolarHBondContact O-CB 3.31Å; R47-E51 VanDerWaalsContact O-CG 3.29Å; R47-E51 WeakPolarHBondContact O-CG 2.98Å; R47-E51 PolarHBondContact O-N 3.05Å; E51-R53 VanDerWaalsContact C-N 3.31Å; E51-R53 PolarHBondContact O-N 2.77Å; E51-E54 PolarHBondContact O-N 3.15Å; E51-A55 WeakPolarHBondContact O-CA 3.45Å; E51-A55 WeakPolarHBondContact O-CB 3.35Å; E51-A55 PolarHBondContact O-N 3.43Å |
| 52 | K | 82.6 | Confident | 81 | Confident | 119 Ų | 119 | 102.6 Ų | 102.6 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -36.5 | 175.1 | -79.6 | 174.4 | -176.9 | 165.8 | 0 | 112.1 | E48 E50 K56 | E48-K52 HydrophobicContact CG-CD 4.38Å; E48-K52 WeakPolarHBondContact O-CB 3.29Å; E48-K52 VanDerWaalsContact O-CG 3.28Å; E48-K52 WeakPolarHBondContact O-CG 3.23Å; E48-K52 PolarHBondContact O-N 2.73Å; E48-K52 WeakPolarHBondContact OE1-CE 3.18Å; E48-K52 IonicContact OE1-NZ 2.88Å; E48-K52 PolarHBondContact OE1-NZ 2.8Å; E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 2.74Å; K52-K56 WeakPolarHBondContact O-CB 3.29Å; K52-K56 VanDerWaalsContact O-CG 3.27Å; K52-K56 WeakPolarHBondContact O-CG 3.41Å; K52-K56 PolarHBondContact O-N 3.29Å; K52-K56 VanDerWaalsContact O-N 3.15Å |
| 53 | R | 82.7 | Confident | 82.3 | Confident | 148 Ų | 148 | 104.2 Ų | 104.2 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.4 | -48.2 | 175.9 | -173.8 | -177 | 67.4 | 175.3 | -2.1 | 110.3 | A49 E50 E51 K56 H57 | A49-R53 PolarHBondContact O-N 3.22Å; A49-R53 VanDerWaalsContact O-N 3.11Å; E50-R53 CarbonylContact O-C 3.6Å; E50-R53 WeakPolarHBondContact O-CB 3.46Å; E50-R53 PolarHBondContact O-N 2.92Å; E50-R53 VanDerWaalsContact O-N 3.08Å; E50-R53 IonicContact OE1-NH2 2.65Å; E51-R53 VanDerWaalsContact C-N 3.31Å; E51-R53 PolarHBondContact O-N 2.77Å; R53-K56 PolarHBondContact O-N 3.12Å; R53-H57 PolarHBondContact O-CD2 3.47Å; R53-H57 VanDerWaalsContact O-CD2 3.29Å; R53-H57 PolarHBondContact O-N 3.04Å |
| 54 | E | 84 | Confident | 83.6 | Confident | 96 Ų | 96 | 106.4 Ų | 106.4 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 179.2 | -163.2 | -170.2 | 156.9 | 0 | 0 | 111.3 | E50 E51 K56 H57 R58 | E50-E54 WeakPolarHBondContact O-CB 3.07Å; E50-E54 PolarHBondContact O-N 3.28Å; E51-E54 PolarHBondContact O-N 3.15Å; E54-K56 PolarHBondContact O-N 3.07Å; E54-H57 PolarHBondContact O-N 3.49Å; E54-R58 WeakPolarHBondContact O-CB 3.43Å; E54-R58 PolarHBondContact O-N 3.31Å; E54-R58 IonicContact OE1-CZ 3.77Å; E54-R58 IonicContact OE1-NH2 2.67Å; E54-R58 PolarHBondContact OE1-NH2 3.05Å |
| 55 | A | 86.5 | Confident | 84.7 | Confident | 57 Ų | 57 | 107.2 Ų | 107.2 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | E51 K59 | E51-A55 WeakPolarHBondContact O-CA 3.45Å; E51-A55 WeakPolarHBondContact O-CB 3.35Å; E51-A55 PolarHBondContact O-N 3.43Å; A55-K59 WeakPolarHBondContact O-CB 3.46Å; A55-K59 PolarHBondContact O-N 2.85Å |
| 56 | K | 89.7 | Confident | 85.7 | Confident | 146 Ų | 146 | 109.6 Ų | 109.6 | 64% | 0.635 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | 172.2 | -78.4 | 178.2 | -178.5 | -177.6 | 0 | 111.5 | K52 R53 E54 M60 | K52-K56 WeakPolarHBondContact O-CB 3.29Å; K52-K56 VanDerWaalsContact O-CG 3.27Å; K52-K56 WeakPolarHBondContact O-CG 3.41Å; K52-K56 PolarHBondContact O-N 3.29Å; K52-K56 VanDerWaalsContact O-N 3.15Å; R53-K56 PolarHBondContact O-N 3.12Å; E54-K56 PolarHBondContact O-N 3.07Å; K56-M60 HydrophobicContact CB-CE 4.2Å; K56-M60 VanDerWaalsContact O-CE 3.28Å; K56-M60 WeakPolarHBondContact O-CE 3.37Å; K56-M60 WeakPolarHBondContact O-CG 3.31Å; K56-M60 PolarHBondContact O-N 3.45Å |
| 57 | H | 89.3 | Confident | 86.7 | Confident | 101 Ų | 101 | 109.7 Ų | 109.7 | 47% | 0.468 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 178.2 | -90.8 | -87.1 | 0 | 0 | 0 | 112 | R53 E54 K59 M60 E61 | R53-H57 PolarHBondContact O-CD2 3.47Å; R53-H57 VanDerWaalsContact O-CD2 3.29Å; R53-H57 PolarHBondContact O-N 3.04Å; E54-H57 PolarHBondContact O-N 3.49Å; H57-K59 PolarHBondContact O-N 3.38Å; H57-M60 PolarHBondContact O-N 2.94Å; H57-M60 VanDerWaalsContact O-N 3.12Å; H57-E61 WeakPolarHBondContact O-CG 3.49Å; H57-E61 PolarHBondContact O-N 3.28Å |
| 58 | R | 88.3 | Confident | 87.6 | Confident | 136 Ų | 136 | 109.7 Ų | 109.7 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.2 | -47.8 | 177.5 | -171.9 | -179.2 | -57.1 | -144.9 | 2.4 | 111.4 | E54 M60 E61 E62 | E54-R58 WeakPolarHBondContact O-CB 3.43Å; E54-R58 PolarHBondContact O-N 3.31Å; E54-R58 IonicContact OE1-CZ 3.77Å; E54-R58 IonicContact OE1-NH2 2.67Å; E54-R58 PolarHBondContact OE1-NH2 3.05Å; R58-M60 VanDerWaalsContact C-N 3.34Å; R58-M60 PolarHBondContact O-N 2.61Å; R58-E61 PolarHBondContact O-N 3.01Å; R58-E62 WeakPolarHBondContact O-CG 3.41Å; R58-E62 PolarHBondContact O-N 3.41Å |
| 59 | K | 90.1 | Very high | 88.4 | Confident | 126 Ų | 126 | 108.2 Ų | 108.2 | 55% | 0.548 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 175.4 | -174.4 | 178.3 | 178 | -178.6 | 0 | 112.3 | A55 H57 E61 E62 E63 | A55-K59 WeakPolarHBondContact O-CB 3.46Å; A55-K59 PolarHBondContact O-N 2.85Å; H57-K59 PolarHBondContact O-N 3.38Å; K59-E61 VanDerWaalsContact C-N 3.35Å; K59-E62 PolarHBondContact O-N 2.99Å; K59-E63 PolarHBondContact O-N 3.43Å; K59-E63 VanDerWaalsContact O-N 3.14Å |
| 60 | M | 88.8 | Confident | 89.1 | Confident | 107 Ų | 107 | 107.2 Ų | 107.2 | 53% | 0.527 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -34 | 177.4 | -76 | -175.1 | -80.6 | 0 | 0 | 112.8 | K56 H57 R58 R64 | K56-M60 HydrophobicContact CB-CE 4.2Å; K56-M60 VanDerWaalsContact O-CE 3.28Å; K56-M60 WeakPolarHBondContact O-CE 3.37Å; K56-M60 WeakPolarHBondContact O-CG 3.31Å; K56-M60 PolarHBondContact O-N 3.45Å; H57-M60 PolarHBondContact O-N 2.94Å; H57-M60 VanDerWaalsContact O-N 3.12Å; R58-M60 VanDerWaalsContact C-N 3.34Å; R58-M60 PolarHBondContact O-N 2.61Å; M60-R64 VanDerWaalsContact O-CB 3.31Å; M60-R64 WeakPolarHBondContact O-CB 3.28Å; M60-R64 PolarHBondContact O-N 2.81Å |
| 61 | E | 89.5 | Confident | 89.8 | Confident | 125 Ų | 125 | 106.4 Ų | 106.4 | 58% | 0.584 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71 | -35.5 | 175.5 | -75.8 | 176.7 | -172.2 | 0 | 0 | 112.4 | H57 R58 K59 R64 E65 | H57-E61 WeakPolarHBondContact O-CG 3.49Å; H57-E61 PolarHBondContact O-N 3.28Å; R58-E61 PolarHBondContact O-N 3.01Å; K59-E61 VanDerWaalsContact C-N 3.35Å; E61-R64 WeakPolarHBondContact O-CB 3.09Å; E61-R64 PolarHBondContact O-N 3.44Å; E61-E65 WeakPolarHBondContact O-CB 3.28Å; E61-E65 PolarHBondContact O-N 3.08Å |
| 62 | E | 91.2 | Very high | 90.5 | Very high | 115 Ų | 115 | 103.2 Ų | 103.2 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -51 | 172.2 | -73.6 | 169.2 | -165.3 | 0 | 0 | 111.4 | R58 K59 R64 E65 V66 | R58-E62 WeakPolarHBondContact O-CG 3.41Å; R58-E62 PolarHBondContact O-N 3.41Å; K59-E62 PolarHBondContact O-N 2.99Å; E62-R64 PolarHBondContact O-N 3.45Å; E62-E65 PolarHBondContact O-N 3.11Å; E62-E65 VanDerWaalsContact O-N 3.09Å; E62-V66 WeakPolarHBondContact O-CG2 3.34Å; E62-V66 PolarHBondContact O-N 2.88Å |
| 63 | E | 92.9 | Very high | 91.1 | Very high | 117 Ų | 117 | 103 Ų | 103 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.1 | -38.5 | 175.9 | -71.2 | 175.4 | -169.1 | 0 | 0 | 111.3 | K59 M67 | K59-E63 PolarHBondContact O-N 3.43Å; K59-E63 VanDerWaalsContact O-N 3.14Å; E63-M67 PolarHBondContact O-N 3.46Å; E63-M67 VanDerWaalsContact O-N 3.1Å |
| 64 | R | 93.7 | Very high | 91.7 | Very high | 144 Ų | 144 | 103 Ų | 103 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 175.4 | -169.8 | -173.9 | 178.4 | 110.7 | -0.3 | 111.9 | M60 E61 E62 M67 R68 | M60-R64 VanDerWaalsContact O-CB 3.31Å; M60-R64 WeakPolarHBondContact O-CB 3.28Å; M60-R64 PolarHBondContact O-N 2.81Å; E61-R64 WeakPolarHBondContact O-CB 3.09Å; E61-R64 PolarHBondContact O-N 3.44Å; E62-R64 PolarHBondContact O-N 3.45Å; R64-M67 PolarHBondContact O-N 3.46Å; R64-R68 VanDerWaalsContact O-CG 3.24Å; R64-R68 WeakPolarHBondContact O-CG 3.44Å; R64-R68 PolarHBondContact O-N 3.42Å |
| 65 | E | 91.7 | Very high | 92.2 | Very high | 61 Ų | 61 | 105.6 Ų | 105.6 | 29% | 0.285 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.6 | -32.2 | 178.8 | -175.8 | 62.4 | -169.1 | 0 | 0 | 111.9 | E61 E62 R68 Q69 R72 K79 | E61-E65 WeakPolarHBondContact O-CB 3.28Å; E61-E65 PolarHBondContact O-N 3.08Å; E62-E65 PolarHBondContact O-N 3.11Å; E62-E65 VanDerWaalsContact O-N 3.09Å; E65-R68 PolarHBondContact O-N 3.4Å; E65-R68 WeakPolarHBondContact OE2-CD 3.27Å; E65-Q69 VanDerWaalsContact O-CB 3.32Å; E65-Q69 WeakPolarHBondContact O-CB 3.46Å; E65-Q69 PolarHBondContact O-N 2.84Å; E65-R72 IonicContact OE1-CZ 3.26Å; E65-R72 VanDerWaalsContact OE1-CZ 3.26Å; E65-R72 IonicContact OE1-NH1 2.7Å; E65-R72 PolarHBondContact OE1-NH1 3.06Å; E65-R72 IonicContact OE1-NH2 3Å; E65-R72 PolarHBondContact OE1-NH2 3.08Å; E65-R72 IonicContact OE2-CZ 3.86Å; E65-R72 IonicContact OE2-NH1 3.67Å; E65-R72 IonicContact OE2-NH2 3.05Å; E65-R72 PolarHBondContact OE2-NH2 2.95Å; E65-K79 IonicContact OE1-NZ 2.83Å; E65-K79 PolarHBondContact OE1-NZ 3.12Å |
| 66 | V | 94.1 | Very high | 92.4 | Very high | 106 Ų | 106 | 106 Ų | 106 | 64% | 0.642 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -47.6 | 170.1 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | E62 R68 Q69 G70 | E62-V66 WeakPolarHBondContact O-CG2 3.34Å; E62-V66 PolarHBondContact O-N 2.88Å; V66-R68 VanDerWaalsContact C-N 3.34Å; V66-R68 PolarHBondContact O-N 2.87Å; V66-Q69 PolarHBondContact O-N 2.9Å; V66-G70 PolarHBondContact O-N 3.4Å |
| 67 | M | 93.4 | Very high | 92.4 | Very high | 122 Ų | 122 | 103.5 Ų | 103.5 | 60% | 0.601 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 175.3 | -179.4 | -120 | -78.7 | 0 | 0 | 111.5 | E63 R64 Q69 G70 I71 | E63-M67 PolarHBondContact O-N 3.46Å; E63-M67 VanDerWaalsContact O-N 3.1Å; R64-M67 PolarHBondContact O-N 3.46Å; M67-Q69 VanDerWaalsContact C-N 3.33Å; M67-Q69 PolarHBondContact O-N 3.24Å; M67-G70 PolarHBondContact O-N 2.94Å; M67-I71 WeakPolarHBondContact O-CG1 3.32Å; M67-I71 PolarHBondContact O-N 2.9Å; M67-I71 HydrophobicContact SD-CD1 4.38Å |
| 68 | R | 92.5 | Very high | 92.3 | Very high | 110 Ų | 110 | 107.9 Ų | 107.9 | 42% | 0.415 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 174.6 | -72.9 | 173.1 | -178.4 | -74.2 | 14.9 | 111.1 | R64 E65 V66 I71 R72 | R64-R68 VanDerWaalsContact O-CG 3.24Å; R64-R68 WeakPolarHBondContact O-CG 3.44Å; R64-R68 PolarHBondContact O-N 3.42Å; E65-R68 PolarHBondContact O-N 3.4Å; E65-R68 WeakPolarHBondContact OE2-CD 3.27Å; V66-R68 VanDerWaalsContact C-N 3.34Å; V66-R68 PolarHBondContact O-N 2.87Å; R68-I71 PolarHBondContact O-N 2.99Å; R68-R72 WeakPolarHBondContact O-CG 3.43Å; R68-R72 PolarHBondContact O-N 3.01Å |
| 69 | Q | 94.3 | Very high | 92.2 | Very high | 67 Ų | 67 | 107.7 Ų | 107.7 | 31% | 0.313 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 178.9 | -168.9 | 58.1 | 39.6 | 0 | 0 | 111.2 | E65 V66 M67 I71 R72 D73 | E65-Q69 VanDerWaalsContact O-CB 3.32Å; E65-Q69 WeakPolarHBondContact O-CB 3.46Å; E65-Q69 PolarHBondContact O-N 2.84Å; V66-Q69 PolarHBondContact O-N 2.9Å; M67-Q69 VanDerWaalsContact C-N 3.33Å; M67-Q69 PolarHBondContact O-N 3.24Å; Q69-I71 VanDerWaalsContact C-N 3.26Å; Q69-I71 PolarHBondContact O-N 3.1Å; Q69-R72 CarbonylContact O-C 3.57Å; Q69-R72 WeakPolarHBondContact O-CA 3.44Å; Q69-R72 WeakPolarHBondContact O-CB 3.41Å; Q69-R72 PolarHBondContact O-N 2.97Å; Q69-D73 PolarHBondContact NE2-OD1 3.15Å; Q69-D73 VanDerWaalsContact O-CG 3.26Å; Q69-D73 PolarHBondContact O-N 3.31Å |
| 70 | G | 95.6 | Very high | 91.7 | Very high | 41 Ų | 41 | 110.5 Ų | 110.5 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.2 | -36.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | V66 M67 K74 | V66-G70 PolarHBondContact O-N 3.4Å; M67-G70 PolarHBondContact O-N 2.94Å; G70-K74 WeakPolarHBondContact O-CB 3.46Å; G70-K74 PolarHBondContact O-N 3.2Å |
| 71 | I | 95 | Very high | 90.8 | Very high | 83 Ų | 83 | 114.1 Ų | 114.1 | 43% | 0.426 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | -41.6 | 171.8 | -66.6 | -174.9 | 0 | 0 | 0 | 111.2 | M67 R68 Q69 D73 K74 Y75 | M67-I71 WeakPolarHBondContact O-CG1 3.32Å; M67-I71 PolarHBondContact O-N 2.9Å; M67-I71 HydrophobicContact SD-CD1 4.38Å; R68-I71 PolarHBondContact O-N 2.99Å; Q69-I71 VanDerWaalsContact C-N 3.26Å; Q69-I71 PolarHBondContact O-N 3.1Å; I71-D73 VanDerWaalsContact C-N 3.34Å; I71-D73 PolarHBondContact O-N 2.96Å; I71-K74 PolarHBondContact O-N 3.21Å; I71-Y75 HydrophobicContact CG2-CD2 3.95Å; I71-Y75 HydrophobicContact CG2-CE2 4.23Å; I71-Y75 VanDerWaalsContact O-CD2 3.32Å; I71-Y75 WeakPolarHBondContact O-CD2 3.38Å; I71-Y75 PolarHBondContact O-N 3.24Å |
| 72 | R | 94.3 | Very high | 89.3 | Confident | 40 Ų | 40 | 115.7 Ų | 115.7 | 15% | 0.151 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -58.9 | -47.7 | 176.8 | -70.5 | -179.1 | -158.7 | 109.5 | -0.4 | 111.3 | E65 R68 Q69 Y75 G76 I77 | E65-R72 IonicContact OE1-CZ 3.26Å; E65-R72 VanDerWaalsContact OE1-CZ 3.26Å; E65-R72 IonicContact OE1-NH1 2.7Å; E65-R72 PolarHBondContact OE1-NH1 3.06Å; E65-R72 IonicContact OE1-NH2 3Å; E65-R72 PolarHBondContact OE1-NH2 3.08Å; E65-R72 IonicContact OE2-CZ 3.86Å; E65-R72 IonicContact OE2-NH1 3.67Å; E65-R72 IonicContact OE2-NH2 3.05Å; E65-R72 PolarHBondContact OE2-NH2 2.95Å; R68-R72 WeakPolarHBondContact O-CG 3.43Å; R68-R72 PolarHBondContact O-N 3.01Å; Q69-R72 CarbonylContact O-C 3.57Å; Q69-R72 WeakPolarHBondContact O-CA 3.44Å; Q69-R72 WeakPolarHBondContact O-CB 3.41Å; Q69-R72 PolarHBondContact O-N 2.97Å; R72-Y75 PolarHBondContact O-N 3.42Å; R72-G76 CarbonylContact O-C 3.58Å; R72-G76 WeakPolarHBondContact O-CA 3.43Å; R72-G76 PolarHBondContact O-N 3.28Å; R72-I77 WeakPolarHBondContact CB-O 3.41Å; R72-I77 HydrophobicContact CG-CB 4.45Å; R72-I77 PolarHBondContact O-N 3.1Å |
| 73 | D | 94.7 | Very high | 87.7 | Confident | 114 Ų | 114 | 118.7 Ų | 118.7 | 61% | 0.61 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.6 | -38.6 | -179.4 | -60.4 | -21.7 | 0 | 0 | 0 | 111.2 | Q69 I71 Y75 | Q69-D73 PolarHBondContact NE2-OD1 3.15Å; Q69-D73 VanDerWaalsContact O-CG 3.26Å; Q69-D73 PolarHBondContact O-N 3.31Å; I71-D73 VanDerWaalsContact C-N 3.34Å; I71-D73 PolarHBondContact O-N 2.96Å; D73-Y75 VanDerWaalsContact C-N 3.26Å; D73-Y75 PolarHBondContact O-N 3.49Å |
| 74 | K | 96.2 | Very high | 86 | Confident | 149 Ų | 149 | 117.1 Ų | 117.1 | 65% | 0.648 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.1 | -32.1 | 177.3 | -173.8 | -179.3 | 179.8 | -154.7 | 0 | 113.4 | G70 I71 | G70-K74 WeakPolarHBondContact O-CB 3.46Å; G70-K74 PolarHBondContact O-N 3.2Å; I71-K74 PolarHBondContact O-N 3.21Å |
| 75 | Y | 94.7 | Very high | 84 | Confident | 150 Ų | 150 | 113.8 Ų | 113.8 | 59% | 0.588 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -115.8 | 5.2 | -175.9 | -64.2 | -75 | 0 | 0 | 0 | 114.1 | I71 R72 D73 I77 | I71-Y75 HydrophobicContact CG2-CD2 3.95Å; I71-Y75 HydrophobicContact CG2-CE2 4.23Å; I71-Y75 VanDerWaalsContact O-CD2 3.32Å; I71-Y75 WeakPolarHBondContact O-CD2 3.38Å; I71-Y75 PolarHBondContact O-N 3.24Å; R72-Y75 PolarHBondContact O-N 3.42Å; D73-Y75 VanDerWaalsContact C-N 3.26Å; D73-Y75 PolarHBondContact O-N 3.49Å; Y75-I77 PolarHBondContact O-N 3.36Å |
| 76 | G | 90.6 | Very high | 82.5 | Confident | 65 Ų | 65 | 115.7 Ų | 115.7 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.3 | 27.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R72 K78 | R72-G76 CarbonylContact O-C 3.58Å; R72-G76 WeakPolarHBondContact O-CA 3.43Å; R72-G76 PolarHBondContact O-N 3.28Å; G76-K78 PolarHBondContact O-N 2.77Å |
| 77 | I | 90.2 | Very high | 80.8 | Confident | 95 Ų | 95 | 117.9 Ų | 117.9 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | trans | -78.7 | 112.3 | -178.6 | -59.6 | 166.4 | 0 | 0 | 0 | 108.1 | R72 Y75 K79 | R72-I77 WeakPolarHBondContact CB-O 3.41Å; R72-I77 HydrophobicContact CG-CB 4.45Å; R72-I77 PolarHBondContact O-N 3.1Å; Y75-I77 PolarHBondContact O-N 3.36Å; I77-K79 PolarHBondContact O-N 3.02Å | ||
| 78 | K | 87.2 | Confident | 78.9 | Confident | 193 Ų | 193 | 117.9 Ų | 117.9 | 84% | 0.839 | 60% | 0.597 | S | S | * | * | trans | -59.4 | 128.3 | 171.6 | -65.5 | -178.2 | -177.6 | 176.3 | 0 | 108.5 | G76 K80 | G76-K78 PolarHBondContact O-N 2.77Å; K78-K80 VanDerWaalsContact C-N 3.3Å; K78-K80 PolarHBondContact O-N 2.65Å | ||
| 79 | K | 84.5 | Confident | 77.4 | Confident | 131 Ų | 131 | 116.4 Ų | 116.4 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | trans | -59.7 | 98.8 | 169.1 | -174.5 | 170.5 | 178.2 | 163.3 | 0 | 106.7 | E65 I77 E81 | E65-K79 IonicContact OE1-NZ 2.83Å; E65-K79 PolarHBondContact OE1-NZ 3.12Å; I77-K79 PolarHBondContact O-N 3.02Å; K79-E81 PolarHBondContact O-N 3.49Å; K79-E81 VanDerWaalsContact O-N 3.16Å | ||
| 80 | K | 79.9 | Confident | 75.9 | Confident | 185 Ų | 185 | 121.5 Ų | 121.5 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | trans | -66 | 114.5 | 167.8 | -168.5 | 174.5 | -178.2 | -174.9 | 0 | 104.3 | K78 E82 | K78-K80 VanDerWaalsContact C-N 3.3Å; K78-K80 PolarHBondContact O-N 2.65Å; K80-E82 PolarHBondContact O-N 2.88Å | ||
| 81 | E | 70.1 | Confident | 74.3 | Confident | 183 Ų | 183 | 124.1 Ų | 124.1 | 86% | 0.855 | 63% | 0.631 | S | S | * | * | trans | -58.9 | 93.2 | 161.8 | -158.4 | 167.5 | -157.6 | 0 | 0 | 103.9 | K79 E83 | K79-E81 PolarHBondContact O-N 3.49Å; K79-E81 VanDerWaalsContact O-N 3.16Å; E81-E83 PolarHBondContact O-N 2.95Å | ||
| 82 | E | 58.9 | Low | 72.6 | Confident | 159 Ų | 159 | 121.4 Ų | 121.4 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | trans | -66.7 | 92.3 | 167.5 | -172.8 | 171.2 | -173.7 | 0 | 0 | 102.7 | K80 V84 | K80-E82 PolarHBondContact O-N 2.88Å; E82-V84 PolarHBondContact O-N 3.36Å | ||
| 83 | E | 57 | Low | 71.1 | Confident | 177 Ų | 177 | 122.6 Ų | 122.6 | 83% | 0.827 | 63% | 0.632 | S | S | * | * | trans | -49.5 | 88.8 | 154.4 | -148.6 | 175.8 | -161.7 | 0 | 0 | 103.6 | E81 P85 | E81-E83 PolarHBondContact O-N 2.95Å; E83-P85 WeakPolarHBondContact O-CD 3.33Å | ||
| 84 | V | 56.7 | Low | 69.6 | Low | 85 Ų | 85 | 125.2 Ų | 125.2 | 52% | 0.515 | 64% | 0.641 | S | S | . | * | trans | -55.3 | 112.5 | 170.2 | 179.2 | 0 | 0 | 0 | 0 | 101.7 | E82 A86 | E82-V84 PolarHBondContact O-N 3.36Å; V84-A86 PolarHBondContact O-N 3Å | ||
| 85 | P | 51.8 | Low | 67.9 | Low | 74 Ų | 74 | 121 Ų | 121 | 48% | 0.481 | 64% | 0.64 | S | S | . | * | trans | -52.8 | 126.2 | 175.4 | -19.6 | 31.1 | 0 | 0 | 0 | 104.7 | E83 D87 F88 | E83-P85 WeakPolarHBondContact O-CD 3.33Å; P85-D87 HydrophobicContact CB-CB 4.42Å; P85-D87 PolarHBondContact O-N 3.23Å; P85-F88 PolarHBondContact O-N 2.97Å | ||
| 86 | A | 60.4 | Low | 66.2 | Low | 101 Ų | 101 | 120.8 Ų | 120.8 | 84% | 0.835 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -18.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V84 | V84-A86 PolarHBondContact O-N 3Š|
| 87 | D | 58.4 | Low | 65 | Low | 151 Ų | 151 | 126.8 Ų | 126.8 | 81% | 0.807 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -17.1 | 176.1 | -50.8 | -40.1 | 0 | 0 | 0 | 114.9 | P85 D89 | P85-D87 HydrophobicContact CB-CB 4.42Å; P85-D87 PolarHBondContact O-N 3.23Å; D87-D89 PolarHBondContact O-N 3.4Å |
| 88 | F | 55 | Low | 63.9 | Low | 123 Ų | 123 | 124.8 Ų | 124.8 | 54% | 0.539 | 66% | 0.657 | S | S | . | * | trans | -86.6 | 69.5 | 174.8 | -154 | -95.7 | 0 | 0 | 0 | 110.4 | P85 F90 | P85-F88 PolarHBondContact O-N 2.97Å; F88-F90 HydrophobicContact CD1-CD2 4.21Å; F88-F90 HydrophobicContact CD1-CE1 4.42Å; F88-F90 AromaticContact CD1-CE2 3.97Å; F88-F90 HydrophobicContact CD1-CE2 3.97Å; F88-F90 HydrophobicContact CD1-CZ 4.08Å; F88-F90 HydrophobicContact CE1-CD1 4.29Å; F88-F90 AromaticContact CE1-CE1 4Å; F88-F90 HydrophobicContact CE1-CE1 4Å; F88-F90 HydrophobicContact CE1-CE2 4.37Å; F88-F90 HydrophobicContact CE1-CZ 4.04Å; F88-F90 PolarHBondContact O-N 3.45Å; F88-F90 VanDerWaalsContact O-N 3.11Å | ||
| 89 | D | 61 | Low | 63 | Low | 79 Ų | 79 | 127.3 Ų | 127.3 | 42% | 0.422 | 66% | 0.661 | S | S | . | * | trans | -67.1 | 107.5 | 170.7 | 176.1 | 23.9 | 0 | 0 | 0 | 109.2 | D87 S91 S92 | D87-D89 PolarHBondContact O-N 3.4Å; D89-S91 PolarHBondContact O-N 3.48Å; D89-S91 VanDerWaalsContact O-N 3.1Å; D89-S91 VanDerWaalsContact OD1-CA 3.29Å; D89-S91 WeakPolarHBondContact OD1-CA 3.46Å; D89-S91 WeakPolarHBondContact OD1-CB 3.49Å; D89-S91 PolarHBondContact OD1-N 3.48Å; D89-S91 PolarHBondContact OD1-OG 3.08Å; D89-S91 WeakPolarHBondContact OD2-CB 3.44Å; D89-S92 VanDerWaalsContact CG-N 3.26Å; D89-S92 VanDerWaalsContact O-CB 3.23Å; D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.34Å; D89-S92 PolarHBondContact OD2-N 3.18Å | ||
| 90 | F | 61.9 | Low | 62.4 | Low | 174 Ų | 174 | 128.3 Ų | 128.3 | 76% | 0.763 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -18.4 | 170.9 | -80.5 | -86.6 | 0 | 0 | 0 | 112.8 | F88 | F88-F90 HydrophobicContact CD1-CD2 4.21Å; F88-F90 HydrophobicContact CD1-CE1 4.42Å; F88-F90 AromaticContact CD1-CE2 3.97Å; F88-F90 HydrophobicContact CD1-CE2 3.97Å; F88-F90 HydrophobicContact CD1-CZ 4.08Å; F88-F90 HydrophobicContact CE1-CD1 4.29Å; F88-F90 AromaticContact CE1-CE1 4Å; F88-F90 HydrophobicContact CE1-CE1 4Å; F88-F90 HydrophobicContact CE1-CE2 4.37Å; F88-F90 HydrophobicContact CE1-CZ 4.04Å; F88-F90 PolarHBondContact O-N 3.45Å; F88-F90 VanDerWaalsContact O-N 3.11Å |
| 91 | S | 62.4 | Low | 61.6 | Low | 95 Ų | 95 | 127.8 Ų | 127.8 | 66% | 0.664 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -17.2 | 173.5 | -31 | 0 | 0 | 0 | 0 | 112.3 | D89 | D89-S91 PolarHBondContact O-N 3.48Å; D89-S91 VanDerWaalsContact O-N 3.1Å; D89-S91 VanDerWaalsContact OD1-CA 3.29Å; D89-S91 WeakPolarHBondContact OD1-CA 3.46Å; D89-S91 WeakPolarHBondContact OD1-CB 3.49Å; D89-S91 PolarHBondContact OD1-N 3.48Å; D89-S91 PolarHBondContact OD1-OG 3.08Å; D89-S91 WeakPolarHBondContact OD2-CB 3.44Å |
| 92 | S | 59.8 | Low | 61.4 | Low | 27 Ų | 27 | 124.1 Ų | 124.1 | 19% | 0.189 | 64% | 0.639 | C | S | . | * | S | Bend | trans | -70.4 | 130.2 | -177.7 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | D89 E94 | D89-S92 VanDerWaalsContact CG-N 3.26Å; D89-S92 VanDerWaalsContact O-CB 3.23Å; D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.34Å; D89-S92 PolarHBondContact OD2-N 3.18Å; S92-E94 PolarHBondContact O-N 3.18Å; S92-E94 WeakPolarHBondContact OG-CG 3.35Å; S92-E94 PolarHBondContact OG-N 3.43Å |
| 93 | P | 62.4 | Low | 61.9 | Low | 65 Ų | 65 | 120 Ų | 120 | 42% | 0.422 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -67.9 | -3.3 | -179.8 | 29 | -35 | 0 | 0 | 0 | 113.5 | G95 R96 | P93-G95 VanDerWaalsContact C-N 3.34Å; P93-R96 PolarHBondContact O-N 3.39Å |
| 94 | E | 62.5 | Low | 62.3 | Low | 169 Ų | 169 | 117 Ų | 117 | 79% | 0.79 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -68.1 | -31 | -177.9 | -67.5 | -179.4 | 163.9 | 0 | 0 | 112.9 | S92 | S92-E94 PolarHBondContact O-N 3.18Å; S92-E94 WeakPolarHBondContact OG-CG 3.35Å; S92-E94 PolarHBondContact OG-N 3.43Å |
| 95 | G | 60.4 | Low | 63 | Low | 60 Ų | 60 | 116.5 Ų | 116.5 | 62% | 0.619 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -89 | -6.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P93 L97 | P93-G95 VanDerWaalsContact C-N 3.34Å; G95-L97 PolarHBondContact O-N 3.2Å |
| 96 | R | 60.2 | Low | 63.7 | Low | 146 Ų | 146 | 118 Ų | 118 | 55% | 0.551 | 63% | 0.626 | S | S | * | * | trans | -81.5 | 108.6 | -177.5 | -84.6 | -174.4 | 176.6 | -152.8 | -0.5 | 111.2 | P93 G98 | P93-R96 PolarHBondContact O-N 3.39Å; R96-G98 PolarHBondContact O-N 3.13Å | ||
| 97 | L | 63.5 | Low | 63.8 | Low | 190 Ų | 190 | 118.4 Ų | 118.4 | 100% | 0.995 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -68.6 | 79.3 | 164.2 | -69 | 168.5 | 0 | 0 | 0 | 109.7 | G95 | G95-L97 PolarHBondContact O-N 3.2Š|
| 98 | G | 68.2 | Low | 64.1 | Low | 54 Ų | 54 | 113.5 Ų | 113.5 | 56% | 0.557 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 176.8 | -178.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R96 K100 | R96-G98 PolarHBondContact O-N 3.13Å; G98-K100 PolarHBondContact O-N 3.1Å |
| 99 | R | 68.8 | Low | 64.4 | Low | 246 Ų | 246 | 110.5 Ų | 110.5 | 93% | 0.928 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -57.7 | 137.1 | 173.7 | -71.5 | -175.9 | -169.7 | -103.2 | 1.6 | 109.2 | R101 | R99-R101 PolarHBondContact O-N 3.44Š|
| 100 | K | 71.9 | Confident | 64.4 | Low | 151 Ų | 151 | 111.3 Ų | 111.3 | 66% | 0.657 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 138.7 | 173 | -58.2 | -61 | -178.5 | 178.7 | 0 | 108.4 | G98 K102 | G98-K100 PolarHBondContact O-N 3.1Å; K100-K102 PolarHBondContact O-N 3.38Å |
| 101 | R | 62.7 | Low | 64.4 | Low | 174 Ų | 174 | 105.7 Ų | 105.7 | 66% | 0.657 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124.9 | 170.2 | -69.2 | -178.8 | 85 | 173.9 | 1 | 106.4 | R99 T103 | R99-R101 PolarHBondContact O-N 3.44Å; R101-T103 PolarHBondContact O-N 3.27Å |
| 102 | K | 66 | Low | 64.4 | Low | 107 Ų | 107 | 106.6 Ų | 106.6 | 47% | 0.465 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 135 | 165.9 | -81.7 | 163.2 | 170.7 | 179.4 | 0 | 107.6 | K100 E106 E110 | K100-K102 PolarHBondContact O-N 3.38Å; K102-E106 HydrophobicContact CB-CB 4.11Å; K102-E106 HydrophobicContact CG-CB 4.41Å; K102-E110 IonicContact NZ-OE1 3.63Å; K102-E110 PolarHBondContact NZ-OE1 3.46Å; K102-E110 IonicContact NZ-OE2 2.76Å; K102-E110 PolarHBondContact NZ-OE2 3.16Å |
| 103 | T | 69.1 | Low | 64.3 | Low | 71 Ų | 71 | 112.1 Ų | 112.1 | 44% | 0.436 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 153.8 | 177 | 62.2 | 0 | 0 | 0 | 0 | 109 | R101 A105 E106 L107 | R101-T103 PolarHBondContact O-N 3.27Å; T103-A105 PolarHBondContact O-N 3.5Å; T103-E106 PolarHBondContact N-OE2 3.14Å; T103-E106 VanDerWaalsContact N-OE2 3.15Å; T103-E106 PolarHBondContact O-N 3.03Å; T103-E106 WeakPolarHBondContact OG1-CG 3.37Å; T103-E106 PolarHBondContact OG1-N 3.45Å; T103-E106 PolarHBondContact OG1-OE2 3.45Å; T103-L107 PolarHBondContact O-N 2.88Å |
| 104 | P | 65.8 | Low | 64 | Low | 116 Ų | 116 | 112.3 Ų | 112.3 | 75% | 0.753 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -52.7 | -31.5 | 177 | -25.9 | 33.8 | 0 | 0 | 0 | 113 | A108 | P104-A108 WeakPolarHBondContact O-CB 3.44Å; P104-A108 PolarHBondContact O-N 3.31Å; P104-A108 VanDerWaalsContact O-N 3.08Å |
| 105 | A | 70.3 | Confident | 63.7 | Low | 74 Ų | 74 | 109.3 Ų | 109.3 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.1 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | T103 A108 A109 | T103-A105 PolarHBondContact O-N 3.5Å; A105-A108 PolarHBondContact O-N 2.93Å; A105-A109 PolarHBondContact O-N 3.5Å |
| 106 | E | 66.2 | Low | 63.4 | Low | 106 Ų | 106 | 111.3 Ų | 111.3 | 50% | 0.495 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.7 | -34.8 | 176 | -72.1 | 173.3 | 152.4 | 0 | 0 | 112.4 | K102 T103 A108 A109 E110 | K102-E106 HydrophobicContact CB-CB 4.11Å; K102-E106 HydrophobicContact CG-CB 4.41Å; T103-E106 PolarHBondContact N-OE2 3.14Å; T103-E106 VanDerWaalsContact N-OE2 3.15Å; T103-E106 PolarHBondContact O-N 3.03Å; T103-E106 WeakPolarHBondContact OG1-CG 3.37Å; T103-E106 PolarHBondContact OG1-N 3.45Å; T103-E106 PolarHBondContact OG1-OE2 3.45Å; E106-A108 VanDerWaalsContact C-N 3.31Å; E106-A109 PolarHBondContact O-N 3.34Å; E106-E110 PolarHBondContact O-N 3.24Å |
| 107 | L | 63.5 | Low | 63.4 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 57% | 0.571 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.1 | -38.1 | 174.7 | -166.4 | 79 | 0 | 0 | 0 | 111.1 | T103 A111 | T103-L107 PolarHBondContact O-N 2.88Å; L107-A111 WeakPolarHBondContact O-CB 3.31Å; L107-A111 PolarHBondContact O-N 3.25Å; L107-A111 VanDerWaalsContact O-N 3.12Å |
| 108 | A | 64.8 | Low | 63.4 | Low | 48 Ų | 48 | 108.2 Ų | 108.2 | 40% | 0.397 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.4 | -37.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P104 A105 E106 A111 N112 | P104-A108 WeakPolarHBondContact O-CB 3.44Å; P104-A108 PolarHBondContact O-N 3.31Å; P104-A108 VanDerWaalsContact O-N 3.08Å; A105-A108 PolarHBondContact O-N 2.93Å; E106-A108 VanDerWaalsContact C-N 3.31Å; A108-A111 PolarHBondContact O-N 3.35Å; A108-N112 PolarHBondContact O-N 3.3Å; A108-N112 VanDerWaalsContact O-N 3.1Å; A108-N112 PolarHBondContact O-ND2 3.48Å |
| 109 | A | 62.1 | Low | 63.6 | Low | 59 Ų | 59 | 109.1 Ų | 109.1 | 49% | 0.488 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.7 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A105 E106 A111 N112 E113 | A105-A109 PolarHBondContact O-N 3.5Å; E106-A109 PolarHBondContact O-N 3.34Å; A109-A111 VanDerWaalsContact C-N 3.31Å; A109-A111 PolarHBondContact O-N 3.04Å; A109-N112 PolarHBondContact O-N 3.14Å; A109-E113 PolarHBondContact O-N 3.49Å; A109-E113 VanDerWaalsContact O-N 3.1Å |
| 110 | E | 60.8 | Low | 63.9 | Low | 96 Ų | 96 | 103 Ų | 103 | 45% | 0.449 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.6 | -29.7 | 176.4 | -168.5 | 175.4 | -149.9 | 0 | 0 | 112.3 | K102 E106 E113 A114 | K102-E110 IonicContact NZ-OE1 3.63Å; K102-E110 PolarHBondContact NZ-OE1 3.46Å; K102-E110 IonicContact NZ-OE2 2.76Å; K102-E110 PolarHBondContact NZ-OE2 3.16Å; E106-E110 PolarHBondContact O-N 3.24Å; E110-E113 PolarHBondContact O-N 3.33Å; E110-A114 PolarHBondContact O-N 3.37Å; E110-A114 VanDerWaalsContact O-N 3.14Å |
| 111 | A | 62.2 | Low | 63.9 | Low | 56 Ų | 56 | 97.1 Ų | 97.1 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L107 A108 A109 E113 A114 | L107-A111 WeakPolarHBondContact O-CB 3.31Å; L107-A111 PolarHBondContact O-N 3.25Å; L107-A111 VanDerWaalsContact O-N 3.12Å; A108-A111 PolarHBondContact O-N 3.35Å; A109-A111 VanDerWaalsContact C-N 3.31Å; A109-A111 PolarHBondContact O-N 3.04Å; A111-E113 VanDerWaalsContact C-N 3.35Å; A111-A114 PolarHBondContact O-N 2.91Å |
| 112 | N | 61.6 | Low | 64.4 | Low | 114 Ų | 114 | 92 Ų | 92 | 61% | 0.61 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.7 | -30.3 | 175.4 | -73.7 | -81.1 | 0 | 0 | 0 | 112.4 | A108 A109 A114 D115 | A108-N112 PolarHBondContact O-N 3.3Å; A108-N112 VanDerWaalsContact O-N 3.1Å; A108-N112 PolarHBondContact O-ND2 3.48Å; A109-N112 PolarHBondContact O-N 3.14Å; N112-A114 VanDerWaalsContact C-N 3.3Å; N112-D115 PolarHBondContact O-N 3.43Å |
| 113 | E | 57.6 | Low | 65.1 | Low | 143 Ų | 143 | 94 Ų | 94 | 67% | 0.668 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.4 | -20 | 177.1 | -149.7 | 168 | -149.8 | 0 | 0 | 112.1 | A109 E110 A111 | A109-E113 PolarHBondContact O-N 3.49Å; A109-E113 VanDerWaalsContact O-N 3.1Å; E110-E113 PolarHBondContact O-N 3.33Å; A111-E113 VanDerWaalsContact C-N 3.35Å |
| 114 | A | 55.3 | Low | 65.7 | Low | 70 Ų | 70 | 93.2 Ų | 93.2 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -80.5 | -15.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E110 A111 N112 D116 | E110-A114 PolarHBondContact O-N 3.37Å; E110-A114 VanDerWaalsContact O-N 3.14Å; A111-A114 PolarHBondContact O-N 2.91Å; N112-A114 VanDerWaalsContact C-N 3.3Å; A114-D116 PolarHBondContact O-N 3.09Å |
| 115 | D | 56.8 | Low | 66.4 | Low | 106 Ų | 106 | 91.3 Ų | 91.3 | 57% | 0.567 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 2.7 | 174.3 | -77.4 | -24.9 | 0 | 0 | 0 | 112.9 | N112 E117 | N112-D115 PolarHBondContact O-N 3.43Å; D115-E117 PolarHBondContact O-N 2.82Å |
| 116 | D | 54.1 | Low | 66.9 | Low | 101 Ų | 101 | 95.1 Ų | 95.1 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | trans | -68 | 84.5 | 159.6 | -87 | -13.2 | 0 | 0 | 0 | 108 | A114 N118 I119 | A114-D116 PolarHBondContact O-N 3.09Å; D116-N118 PolarHBondContact O-N 2.77Å; D116-I119 HydrophobicContact CB-CD1 3.87Å; D116-I119 HydrophobicContact CB-CG1 3.99Å; D116-I119 WeakPolarHBondContact O-CB 3.47Å; D116-I119 PolarHBondContact O-N 2.72Å | ||
| 117 | E | 60.2 | Low | 67.6 | Low | 138 Ų | 138 | 96.2 Ų | 96.2 | 65% | 0.645 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -45.8 | -20.9 | 177.3 | -61.6 | -68.5 | 167.7 | 0 | 0 | 113.8 | D115 T121 | D115-E117 PolarHBondContact O-N 2.82Å; E117-T121 PolarHBondContact O-OG1 2.95Å |
| 118 | N | 63.7 | Low | 68.5 | Low | 133 Ų | 133 | 95.8 Ų | 95.8 | 71% | 0.711 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -73.4 | -28.9 | 173.9 | -95 | -7.8 | 0 | 0 | 0 | 114.3 | D116 T121 S122 | D116-N118 PolarHBondContact O-N 2.77Å; N118-T121 WeakPolarHBondContact CA-OG1 3.43Å; N118-T121 PolarHBondContact O-OG1 3.39Å; N118-S122 VanDerWaalsContact O-CB 3.23Å; N118-S122 WeakPolarHBondContact O-CB 3.47Å; N118-S122 PolarHBondContact O-N 2.82Å; N118-S122 PolarHBondContact O-OG 3.09Å |
| 119 | I | 72.9 | Confident | 69.4 | Low | 74 Ų | 74 | 97.4 Ų | 97.4 | 38% | 0.379 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -47.1 | 178.8 | -66.1 | 176.3 | 0 | 0 | 0 | 109.2 | D116 T121 S122 M123 | D116-I119 HydrophobicContact CB-CD1 3.87Å; D116-I119 HydrophobicContact CB-CG1 3.99Å; D116-I119 WeakPolarHBondContact O-CB 3.47Å; D116-I119 PolarHBondContact O-N 2.72Å; I119-T121 PolarHBondContact O-N 3.27Å; I119-S122 PolarHBondContact O-N 3.18Å; I119-S122 PolarHBondContact O-OG 3.42Å; I119-M123 HydrophobicContact CG2-CE 3.95Å; I119-M123 WeakPolarHBondContact O-CG 3.23Å; I119-M123 PolarHBondContact O-N 3.39Å; I119-M123 VanDerWaalsContact O-N 3.09Å |
| 120 | L | 74.4 | Confident | 70.2 | Confident | 118 Ų | 118 | 99.7 Ų | 99.7 | 62% | 0.618 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.8 | -44.7 | -179 | -175.7 | 65.5 | 0 | 0 | 0 | 111.9 | M123 | L120-M123 PolarHBondContact O-N 3.34Å |
| 121 | T | 71.9 | Confident | 71.2 | Confident | 27 Ų | 27 | 101.5 Ų | 101.5 | 17% | 0.166 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -69.6 | -33 | 176.6 | 34.2 | 0 | 0 | 0 | 0 | 112.6 | E117 N118 I119 M123 L124 R129 A132 | E117-T121 PolarHBondContact O-OG1 2.95Å; N118-T121 WeakPolarHBondContact CA-OG1 3.43Å; N118-T121 PolarHBondContact O-OG1 3.39Å; I119-T121 PolarHBondContact O-N 3.27Å; T121-M123 VanDerWaalsContact C-N 3.31Å; T121-M123 PolarHBondContact O-N 3.41Å; T121-L124 PolarHBondContact O-N 2.78Å; T121-R129 WeakPolarHBondContact O-CG 3.45Å; T121-A132 HydrophobicContact CG2-CB 4.01Å |
| 122 | S | 74 | Confident | 72.1 | Confident | 66 Ų | 66 | 100 Ų | 100 | 46% | 0.462 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.4 | -30.2 | 174.9 | 78.3 | 0 | 0 | 0 | 0 | 113.3 | N118 I119 L124 R129 | N118-S122 VanDerWaalsContact O-CB 3.23Å; N118-S122 WeakPolarHBondContact O-CB 3.47Å; N118-S122 PolarHBondContact O-N 2.82Å; N118-S122 PolarHBondContact O-OG 3.09Å; I119-S122 PolarHBondContact O-N 3.18Å; I119-S122 PolarHBondContact O-OG 3.42Å; S122-L124 VanDerWaalsContact C-N 3.33Å; S122-R129 PolarHBondContact O-NE 2.93Å; S122-R129 PolarHBondContact O-NH2 3.44Å |
| 123 | M | 80.1 | Confident | 73 | Confident | 149 Ų | 149 | 97.7 Ų | 97.7 | 73% | 0.734 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75.6 | -19.2 | 177.9 | -68.7 | -156.7 | -175.8 | 0 | 0 | 113.8 | I119 L120 T121 | I119-M123 HydrophobicContact CG2-CE 3.95Å; I119-M123 WeakPolarHBondContact O-CG 3.23Å; I119-M123 PolarHBondContact O-N 3.39Å; I119-M123 VanDerWaalsContact O-N 3.09Å; L120-M123 PolarHBondContact O-N 3.34Å; T121-M123 VanDerWaalsContact C-N 3.31Å; T121-M123 PolarHBondContact O-N 3.41Å |
| 124 | L | 82.2 | Confident | 74.1 | Confident | 54 Ų | 54 | 97.5 Ų | 97.5 | 28% | 0.283 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -71.6 | 145.7 | 179 | -107.1 | 66.1 | 0 | 0 | 0 | 111.7 | T121 S122 M128 R129 A132 | T121-L124 PolarHBondContact O-N 2.78Å; S122-L124 VanDerWaalsContact C-N 3.33Å; L124-M128 HydrophobicContact CD2-CB 3.97Å; L124-M128 HydrophobicContact CD2-CE 4.4Å; L124-M128 HydrophobicContact CG-CB 4.44Å; L124-R129 HydrophobicContact CB-CG 4.19Å; L124-R129 WeakPolarHBondContact O-CG 3.5Å; L124-R129 PolarHBondContact O-NE 3.01Å; L124-R129 PolarHBondContact O-NH2 2.76Å; L124-A132 HydrophobicContact CD2-CB 4.33Å |
| 125 | P | 79.9 | Confident | 75.3 | Confident | 77 Ų | 77 | 98.9 Ų | 98.9 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | trans | -59.6 | 147.9 | 173 | -21.8 | 33 | 0 | 0 | 0 | 112.7 | N127 M128 R129 | P125-N127 PolarHBondContact O-N 3.28Å; P125-N127 VanDerWaalsContact O-N 3.07Å; P125-M128 PolarHBondContact O-N 3.05Å; P125-R129 PolarHBondContact O-N 3.31Å | ||
| 126 | E | 81.3 | Confident | 76.2 | Confident | 154 Ų | 154 | 98.1 Ų | 98.1 | 72% | 0.72 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -50.8 | -37.4 | -172.5 | -76.3 | 177 | -179.8 | 0 | 0 | 114.8 | M128 | E126-M128 VanDerWaalsContact C-N 3.28Å; E126-M128 PolarHBondContact O-N 3.48Å |
| 127 | N | 80.3 | Confident | 77.1 | Confident | 128 Ų | 128 | 97.9 Ų | 97.9 | 68% | 0.684 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.4 | -22 | 179.6 | 62 | -10.5 | 0 | 0 | 0 | 113.8 | P125 | P125-N127 PolarHBondContact O-N 3.28Å; P125-N127 VanDerWaalsContact O-N 3.07Å |
| 128 | M | 82.5 | Confident | 77.9 | Confident | 101 Ų | 101 | 95 Ų | 95 | 50% | 0.498 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -96.8 | -26.4 | 177.8 | -65.1 | -174.8 | 67.1 | 0 | 0 | 112.7 | L124 P125 E126 N130 M131 A132 | L124-M128 HydrophobicContact CD2-CB 3.97Å; L124-M128 HydrophobicContact CD2-CE 4.4Å; L124-M128 HydrophobicContact CG-CB 4.44Å; P125-M128 PolarHBondContact O-N 3.05Å; E126-M128 VanDerWaalsContact C-N 3.28Å; E126-M128 PolarHBondContact O-N 3.48Å; M128-N130 VanDerWaalsContact C-N 3.28Å; M128-N130 PolarHBondContact O-N 3.01Å; M128-M131 WeakPolarHBondContact O-CB 3.42Å; M128-M131 PolarHBondContact O-N 3.02Å; M128-A132 PolarHBondContact O-N 2.98Å |
| 129 | R | 83 | Confident | 78.5 | Confident | 82 Ų | 82 | 91.8 Ų | 91.8 | 31% | 0.309 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54.3 | -43.3 | 178.8 | -67.8 | -171.7 | -174.1 | 126 | 4.2 | 112.6 | T121 S122 L124 P125 M131 A132 N133 | T121-R129 WeakPolarHBondContact O-CG 3.45Å; S122-R129 PolarHBondContact O-NE 2.93Å; S122-R129 PolarHBondContact O-NH2 3.44Å; L124-R129 HydrophobicContact CB-CG 4.19Å; L124-R129 WeakPolarHBondContact O-CG 3.5Å; L124-R129 PolarHBondContact O-NE 3.01Å; L124-R129 PolarHBondContact O-NH2 2.76Å; P125-R129 PolarHBondContact O-N 3.31Å; R129-M131 VanDerWaalsContact C-N 3.26Å; R129-M131 PolarHBondContact O-N 3.03Å; R129-A132 PolarHBondContact O-N 3.41Å; R129-N133 WeakPolarHBondContact O-CB 3.3Å; R129-N133 VanDerWaalsContact O-CG 3.27Å; R129-N133 PolarHBondContact O-N 2.96Å |
| 130 | N | 79.4 | Confident | 78.5 | Confident | 107 Ų | 107 | 90.2 Ų | 90.2 | 57% | 0.572 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.3 | -30.9 | 178.8 | -69.8 | -30.6 | 0 | 0 | 0 | 113.2 | M128 K134 | M128-N130 VanDerWaalsContact C-N 3.28Å; M128-N130 PolarHBondContact O-N 3.01Å; N130-K134 WeakPolarHBondContact O-CD 3.5Å; N130-K134 WeakPolarHBondContact O-CG 3.13Å; N130-K134 PolarHBondContact O-N 3.22Å |
| 131 | M | 81.3 | Confident | 78.6 | Confident | 134 Ų | 134 | 89.7 Ų | 89.7 | 66% | 0.66 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -77.9 | -43.7 | 176.1 | -169.4 | 179.2 | -62.6 | 0 | 0 | 110.4 | M128 R129 N133 K134 V135 | M128-M131 WeakPolarHBondContact O-CB 3.42Å; M128-M131 PolarHBondContact O-N 3.02Å; R129-M131 VanDerWaalsContact C-N 3.26Å; R129-M131 PolarHBondContact O-N 3.03Å; M131-N133 PolarHBondContact O-N 2.95Å; M131-K134 PolarHBondContact O-N 3.38Å; M131-V135 WeakPolarHBondContact O-CG2 3.36Å; M131-V135 PolarHBondContact O-N 3.41Å |
| 132 | A | 81.6 | Confident | 78.9 | Confident | 25 Ų | 25 | 93.3 Ų | 93.3 | 21% | 0.207 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T121 L124 M128 R129 K134 V135 T136 | T121-A132 HydrophobicContact CG2-CB 4.01Å; L124-A132 HydrophobicContact CD2-CB 4.33Å; M128-A132 PolarHBondContact O-N 2.98Å; R129-A132 PolarHBondContact O-N 3.41Å; A132-K134 VanDerWaalsContact C-N 3.3Å; A132-K134 PolarHBondContact O-N 3.43Å; A132-V135 PolarHBondContact O-N 3.34Å; A132-V135 VanDerWaalsContact O-N 3.09Å; A132-T136 PolarHBondContact O-N 3.02Å; A132-T136 PolarHBondContact O-OG1 3.49Å |
| 133 | N | 81.2 | Confident | 79.1 | Confident | 64 Ų | 64 | 95.8 Ų | 95.8 | 34% | 0.342 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -36.9 | 177.7 | -67.1 | -9.3 | 0 | 0 | 0 | 112.3 | R129 M131 T136 E137 | R129-N133 WeakPolarHBondContact O-CB 3.3Å; R129-N133 VanDerWaalsContact O-CG 3.27Å; R129-N133 PolarHBondContact O-N 2.96Å; M131-N133 PolarHBondContact O-N 2.95Å; N133-T136 WeakPolarHBondContact CA-OG1 3.22Å; N133-T136 PolarHBondContact O-N 3.41Å; N133-T136 PolarHBondContact O-OG1 3.17Å; N133-T136 VanDerWaalsContact O-OG1 3.06Å; N133-E137 VanDerWaalsContact O-CB 3.32Å; N133-E137 WeakPolarHBondContact O-CB 3.32Å; N133-E137 VanDerWaalsContact O-CG 3.22Å; N133-E137 WeakPolarHBondContact O-CG 3.46Å; N133-E137 PolarHBondContact O-N 3.28Å |
| 134 | K | 78.9 | Confident | 78.8 | Confident | 140 Ų | 140 | 91 Ų | 91 | 61% | 0.609 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.9 | -41 | 174.6 | -74 | 172.6 | -175.2 | -175.6 | 0 | 111.7 | N130 M131 A132 T136 E137 V138 | N130-K134 WeakPolarHBondContact O-CD 3.5Å; N130-K134 WeakPolarHBondContact O-CG 3.13Å; N130-K134 PolarHBondContact O-N 3.22Å; M131-K134 PolarHBondContact O-N 3.38Å; A132-K134 VanDerWaalsContact C-N 3.3Å; A132-K134 PolarHBondContact O-N 3.43Å; K134-T136 VanDerWaalsContact C-N 3.34Å; K134-E137 PolarHBondContact O-N 3.09Å; K134-V138 WeakPolarHBondContact O-CB 3.26Å; K134-V138 WeakPolarHBondContact O-CG2 2.94Å; K134-V138 PolarHBondContact O-N 3.07Å; K134-V138 VanDerWaalsContact O-N 3.07Å |
| 135 | V | 80.6 | Confident | 78.4 | Confident | 98 Ų | 98 | 94.1 Ų | 94.1 | 59% | 0.594 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.9 | -36.6 | 179.4 | 173.6 | 0 | 0 | 0 | 0 | 111 | M131 A132 P139 | M131-V135 WeakPolarHBondContact O-CG2 3.36Å; M131-V135 PolarHBondContact O-N 3.41Å; A132-V135 PolarHBondContact O-N 3.34Å; A132-V135 VanDerWaalsContact O-N 3.09Å; V135-P139 WeakPolarHBondContact O-CD 3.49Å |
| 136 | T | 75.9 | Confident | 78.2 | Confident | 90 Ų | 90 | 92.9 Ų | 92.9 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -76.4 | -31.5 | 176.6 | 57 | 0 | 0 | 0 | 0 | 113.1 | A132 N133 K134 | A132-T136 PolarHBondContact O-N 3.02Å; A132-T136 PolarHBondContact O-OG1 3.49Å; N133-T136 WeakPolarHBondContact CA-OG1 3.22Å; N133-T136 PolarHBondContact O-N 3.41Å; N133-T136 PolarHBondContact O-OG1 3.17Å; N133-T136 VanDerWaalsContact O-OG1 3.06Å; K134-T136 VanDerWaalsContact C-N 3.34Å |
| 137 | E | 73.4 | Confident | 77.9 | Confident | 96 Ų | 96 | 88.5 Ų | 88.5 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76 | -31.4 | 177.3 | -77.1 | 177.9 | -155.7 | 0 | 0 | 114.4 | N133 K134 G140 K141 | N133-E137 VanDerWaalsContact O-CB 3.32Å; N133-E137 WeakPolarHBondContact O-CB 3.32Å; N133-E137 VanDerWaalsContact O-CG 3.22Å; N133-E137 WeakPolarHBondContact O-CG 3.46Å; N133-E137 PolarHBondContact O-N 3.28Å; K134-E137 PolarHBondContact O-N 3.09Å; E137-G140 PolarHBondContact O-N 3.48Å; E137-K141 PolarHBondContact O-N 3Å; E137-K141 IonicContact OE2-NZ 2.61Å; E137-K141 PolarHBondContact OE2-NZ 3.25Å |
| 138 | V | 76.9 | Confident | 77.3 | Confident | 78 Ų | 78 | 88.5 Ų | 88.5 | 47% | 0.473 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | -176.3 | 163.4 | 0 | 0 | 0 | 0 | 112.3 | K134 G140 K141 I142 | K134-V138 WeakPolarHBondContact O-CB 3.26Å; K134-V138 WeakPolarHBondContact O-CG2 2.94Å; K134-V138 PolarHBondContact O-N 3.07Å; K134-V138 VanDerWaalsContact O-N 3.07Å; V138-G140 VanDerWaalsContact C-N 3.32Å; V138-G140 PolarHBondContact O-N 2.97Å; V138-K141 PolarHBondContact O-N 3.34Å; V138-I142 HydrophobicContact CG1-CD1 3.77Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.46Å; V138-I142 PolarHBondContact O-N 3.45Å; V138-I142 VanDerWaalsContact O-N 3.09Å |
| 139 | P | 77.7 | Confident | 76.9 | Confident | 66 Ų | 66 | 91 Ų | 91 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.5 | -42.9 | 172.4 | -24.9 | 32.9 | 0 | 0 | 0 | 112.7 | V135 K141 I142 I143 | V135-P139 WeakPolarHBondContact O-CD 3.49Å; P139-K141 VanDerWaalsContact C-N 3.35Å; P139-K141 PolarHBondContact O-N 3.32Å; P139-I142 PolarHBondContact O-N 2.96Å; P139-I143 WeakPolarHBondContact O-CD1 3.36Å; P139-I143 VanDerWaalsContact O-CG1 3.26Å; P139-I143 WeakPolarHBondContact O-CG1 3.28Å; P139-I143 PolarHBondContact O-N 3.23Å |
| 140 | G | 72.4 | Confident | 76.1 | Confident | 41 Ų | 41 | 91.9 Ų | 91.9 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E137 V138 I143 S144 | E137-G140 PolarHBondContact O-N 3.48Å; V138-G140 VanDerWaalsContact C-N 3.32Å; V138-G140 PolarHBondContact O-N 2.97Å; G140-I143 PolarHBondContact O-N 3.49Å; G140-S144 PolarHBondContact O-N 3.42Å; G140-S144 PolarHBondContact O-OG 3.09Å |
| 141 | K | 75.5 | Confident | 75.5 | Confident | 107 Ų | 107 | 94.1 Ų | 94.1 | 47% | 0.465 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 177.5 | -69.1 | 170.3 | -171.1 | 162.1 | 0 | 112.3 | E137 V138 P139 I143 S144 E145 | E137-K141 PolarHBondContact O-N 3Å; E137-K141 IonicContact OE2-NZ 2.61Å; E137-K141 PolarHBondContact OE2-NZ 3.25Å; V138-K141 PolarHBondContact O-N 3.34Å; P139-K141 VanDerWaalsContact C-N 3.35Å; P139-K141 PolarHBondContact O-N 3.32Å; K141-I143 VanDerWaalsContact C-N 3.33Å; K141-I143 PolarHBondContact O-N 3.06Å; K141-S144 WeakPolarHBondContact CA-OG 3.45Å; K141-S144 PolarHBondContact O-N 2.89Å; K141-S144 PolarHBondContact O-OG 3.3Å; K141-E145 WeakPolarHBondContact O-CB 3.33Å; K141-E145 WeakPolarHBondContact O-CG 3.42Å; K141-E145 PolarHBondContact O-N 3.19Å |
| 142 | I | 79.2 | Confident | 74.4 | Confident | 103 Ų | 103 | 95.3 Ų | 95.3 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.9 | -65.3 | 164.8 | 0 | 0 | 0 | 110.4 | V138 P139 A146 | V138-I142 HydrophobicContact CG1-CD1 3.77Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.46Å; V138-I142 PolarHBondContact O-N 3.45Å; V138-I142 VanDerWaalsContact O-N 3.09Å; P139-I142 PolarHBondContact O-N 2.96Å; I142-A146 VanDerWaalsContact O-CB 3.3Å; I142-A146 WeakPolarHBondContact O-CB 3.39Å; I142-A146 PolarHBondContact O-N 2.97Å |
| 143 | I | 78.2 | Confident | 73.1 | Confident | 118 Ų | 118 | 105 Ų | 105 | 61% | 0.605 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.2 | -42.8 | 178.2 | -66 | 162.1 | 0 | 0 | 0 | 111 | P139 G140 K141 A146 S147 | P139-I143 WeakPolarHBondContact O-CD1 3.36Å; P139-I143 VanDerWaalsContact O-CG1 3.26Å; P139-I143 WeakPolarHBondContact O-CG1 3.28Å; P139-I143 PolarHBondContact O-N 3.23Å; G140-I143 PolarHBondContact O-N 3.49Å; K141-I143 VanDerWaalsContact C-N 3.33Å; K141-I143 PolarHBondContact O-N 3.06Å; I143-A146 PolarHBondContact O-N 3.27Å; I143-S147 PolarHBondContact O-N 3.47Å; I143-S147 PolarHBondContact O-OG 3.37Å |
| 144 | S | 73.4 | Confident | 72.7 | Confident | 49 Ų | 49 | 107.1 Ų | 107.1 | 34% | 0.343 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.8 | -41.2 | 177.5 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | G140 K141 A146 S147 E148 | G140-S144 PolarHBondContact O-N 3.42Å; G140-S144 PolarHBondContact O-OG 3.09Å; K141-S144 WeakPolarHBondContact CA-OG 3.45Å; K141-S144 PolarHBondContact O-N 2.89Å; K141-S144 PolarHBondContact O-OG 3.3Å; S144-A146 VanDerWaalsContact C-N 3.31Å; S144-A146 PolarHBondContact O-N 2.89Å; S144-S147 PolarHBondContact O-N 3.27Å; S144-S147 PolarHBondContact O-OG 3.13Å; S144-E148 WeakPolarHBondContact O-CB 3.41Å; S144-E148 WeakPolarHBondContact O-CG 3.22Å; S144-E148 PolarHBondContact O-N 3.27Å |
| 145 | E | 73.2 | Confident | 72.4 | Confident | 118 Ų | 118 | 105.4 Ų | 105.4 | 55% | 0.551 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.7 | -34.4 | 176.4 | -73.9 | 179 | -165.9 | 0 | 0 | 112.2 | K141 K149 | K141-E145 WeakPolarHBondContact O-CB 3.33Å; K141-E145 WeakPolarHBondContact O-CG 3.42Å; K141-E145 PolarHBondContact O-N 3.19Å; E145-K149 WeakPolarHBondContact O-CB 3.48Å; E145-K149 PolarHBondContact O-N 3Å; E145-K149 VanDerWaalsContact O-N 3.13Å |
| 146 | A | 76.4 | Confident | 71.9 | Confident | 51 Ų | 51 | 105.8 Ų | 105.8 | 42% | 0.421 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.3 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I142 I143 S144 K149 C150 | I142-A146 VanDerWaalsContact O-CB 3.3Å; I142-A146 WeakPolarHBondContact O-CB 3.39Å; I142-A146 PolarHBondContact O-N 2.97Å; I143-A146 PolarHBondContact O-N 3.27Å; S144-A146 VanDerWaalsContact C-N 3.31Å; S144-A146 PolarHBondContact O-N 2.89Å; A146-K149 PolarHBondContact O-N 3.38Å; A146-C150 PolarHBondContact O-N 3.07Å; A146-C150 PolarHBondContact O-SG 2.94Å |
| 147 | S | 74.4 | Confident | 71.7 | Confident | 62 Ų | 62 | 106.7 Ų | 106.7 | 43% | 0.434 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.5 | -37.5 | 178.7 | 67.7 | 0 | 0 | 0 | 0 | 112.3 | I143 S144 C150 L151 | I143-S147 PolarHBondContact O-N 3.47Å; I143-S147 PolarHBondContact O-OG 3.37Å; S144-S147 PolarHBondContact O-N 3.27Å; S144-S147 PolarHBondContact O-OG 3.13Å; S147-C150 PolarHBondContact O-N 3.35Å; S147-L151 PolarHBondContact O-N 3.45Å |
| 148 | E | 67.7 | Low | 71.6 | Confident | 128 Ų | 128 | 107.4 Ų | 107.4 | 60% | 0.598 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.3 | -40.8 | 172.7 | -74.3 | -179.6 | -172.2 | 0 | 0 | 112 | S144 C150 L151 L152 | S144-E148 WeakPolarHBondContact O-CB 3.41Å; S144-E148 WeakPolarHBondContact O-CG 3.22Å; S144-E148 PolarHBondContact O-N 3.27Å; E148-C150 VanDerWaalsContact C-N 3.33Å; E148-C150 PolarHBondContact O-N 2.98Å; E148-L151 PolarHBondContact O-N 2.93Å; E148-L152 PolarHBondContact O-N 2.76Å |
| 149 | K | 75.1 | Confident | 71.2 | Confident | 155 Ų | 155 | 109.3 Ų | 109.3 | 67% | 0.674 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.1 | -33.5 | 173.4 | -87.8 | 177.5 | -179.4 | 167.4 | 0 | 113.3 | E145 A146 | E145-K149 WeakPolarHBondContact O-CB 3.48Å; E145-K149 PolarHBondContact O-N 3Å; E145-K149 VanDerWaalsContact O-N 3.13Å; A146-K149 PolarHBondContact O-N 3.38Å |
| 150 | C | 65.8 | Low | 70.8 | Confident | 99 Ų | 99 | 112.4 Ų | 112.4 | 67% | 0.669 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -76 | -26 | 176.8 | -70.9 | 0 | 0 | 0 | 0 | 113.3 | A146 S147 E148 | A146-C150 PolarHBondContact O-N 3.07Å; A146-C150 PolarHBondContact O-SG 2.94Å; S147-C150 PolarHBondContact O-N 3.35Å; E148-C150 VanDerWaalsContact C-N 3.33Å; E148-C150 PolarHBondContact O-N 2.98Å |
| 151 | L | 66.1 | Low | 70.6 | Confident | 154 Ų | 154 | 117.9 Ų | 117.9 | 81% | 0.806 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -80.2 | -16.9 | 174.4 | -81.6 | 169.9 | 0 | 0 | 0 | 113.6 | S147 E148 | S147-L151 PolarHBondContact O-N 3.45Å; E148-L151 PolarHBondContact O-N 2.93Å |
| 152 | L | 58.2 | Low | 70.2 | Confident | 159 Ų | 159 | 118.8 Ų | 118.8 | 83% | 0.832 | 63% | 0.633 | S | S | * | * | trans | -96.9 | 2 | -179.6 | -109.2 | 151.3 | 0 | 0 | 0 | 114.3 | E148 | E148-L152 PolarHBondContact O-N 2.76Š| ||
| 153 | M | 55.2 | Low | 69.4 | Low | 230 Ų | 230 | 120.3 Ų | 120.3 | 100% | 1.133 | 64% | 0.642 | S | S | * | * | trans | -105.1 | 0 | 167.1 | -71.2 | -152.6 | -164.1 | 0 | 0 | 111 |
Retrieved 153 of 153 residues in 131.2 ms
(Link to these results)