| 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 | 53.2 | Low | 50 | Low | 255 Ų | 255 | 148 Ų | 148 | 100% | 1.256 | 78% | 0.775 | S | S | * | * | 0 | 163 | 0 | -67.7 | -73.1 | -118.6 | 0 | 0 | 110.6 | |||||
| 2 | A | 58.8 | Low | 50.7 | Low | 100 Ų | 100 | 140.8 Ų | 140.8 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | trans | -116.7 | 0 | -146.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 3 | L | 54 | Low | 51 | Low | 175 Ų | 175 | 137.9 Ų | 137.9 | 92% | 0.916 | 73% | 0.726 | S | S | * | * | 0 | 0 | 0 | -72.2 | 171.7 | 0 | 0 | 0 | 123.3 | |||||
| 4 | P | 41.8 | Very low | 51.4 | Low | 105 Ų | 105 | 137.7 Ų | 137.7 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | 0 | 163.2 | 0 | 40.5 | -24.8 | 0 | 0 | 0 | 117.3 | |||||
| 5 | T | 53.4 | Low | 51.8 | Low | 116 Ų | 116 | 137.3 Ų | 137.3 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | trans | 2.9 | 136.2 | 155.6 | 54.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 6 | L | 50.2 | Low | 52.3 | Low | 140 Ų | 140 | 135.2 Ų | 135.2 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | -172.3 | 157.4 | 81.4 | -89.2 | 164.7 | 0 | 0 | 0 | 109.1 | S8 | L6-S8 PolarHBondContact O-N 3.11Š| |||
| 7 | P | 50.6 | Low | 52.7 | Low | 84 Ų | 84 | 133 Ų | 133 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | trans | -59.8 | 131.5 | -170.5 | -26.7 | 36.1 | 0 | 0 | 0 | 112 | Y9 W10 | P7-Y9 PolarHBondContact O-N 3.47Å; P7-W10 PolarHBondContact O-N 3.2Å | ||
| 8 | S | 35.3 | Very low | 53.4 | Low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -49.8 | -6.5 | 169.5 | 52.1 | 0 | 0 | 0 | 0 | 114.8 | L6 W10 Y11 S12 | L6-S8 PolarHBondContact O-N 3.11Å; S8-W10 PolarHBondContact O-N 2.81Å; S8-Y11 PolarHBondContact O-N 3.37Å; S8-S12 PolarHBondContact O-N 3.34Å |
| 9 | Y | 52.6 | Low | 53.8 | Low | 174 Ų | 174 | 131.4 Ų | 131.4 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -50.5 | -20.7 | 166.1 | -164.6 | -102.8 | 0 | 0 | 0 | 112.1 | P7 S12 | P7-Y9 PolarHBondContact O-N 3.47Å; Y9-S12 VanDerWaalsContact C-OG 3.23Å; Y9-S12 WeakPolarHBondContact CA-OG 3.29Å; Y9-S12 WeakPolarHBondContact CD2-OG 3.5Å; Y9-S12 WeakPolarHBondContact O-CB 3.38Å; Y9-S12 PolarHBondContact O-N 2.9Å; Y9-S12 PolarHBondContact O-OG 2.97Å |
| 10 | W | 51 | Low | 54.5 | Low | 182 Ų | 182 | 128.6 Ų | 128.6 | 69% | 0.689 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -68.3 | -47.8 | 176 | -85.9 | 97.2 | 0 | 0 | 0 | 115.5 | P7 S8 S12 Q13 | P7-W10 PolarHBondContact O-N 3.2Å; S8-W10 PolarHBondContact O-N 2.81Å; W10-S12 PolarHBondContact O-N 3.03Å; W10-Q13 PolarHBondContact O-N 2.9Å |
| 11 | Y | 49.6 | Very low | 54.9 | Low | 192 Ų | 192 | 125 Ų | 125 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -75.9 | -13.8 | 172.6 | -92.3 | -92 | 0 | 0 | 0 | 112 | S8 Q13 | S8-Y11 PolarHBondContact O-N 3.37Å; Y11-Q13 PolarHBondContact O-N 2.85Å; Y11-Q13 VanDerWaalsContact O-N 3.1Å |
| 12 | S | 57.7 | Low | 55.6 | Low | 61 Ų | 61 | 121.5 Ų | 121.5 | 43% | 0.427 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.1 | 3.2 | 165.2 | 92.4 | 0 | 0 | 0 | 0 | 114.6 | S8 Y9 W10 | S8-S12 PolarHBondContact O-N 3.34Å; Y9-S12 VanDerWaalsContact C-OG 3.23Å; Y9-S12 WeakPolarHBondContact CA-OG 3.29Å; Y9-S12 WeakPolarHBondContact CD2-OG 3.5Å; Y9-S12 WeakPolarHBondContact O-CB 3.38Å; Y9-S12 PolarHBondContact O-N 2.9Å; Y9-S12 PolarHBondContact O-OG 2.97Å; W10-S12 PolarHBondContact O-N 3.03Å |
| 13 | Q | 55 | Low | 56.1 | Low | 104 Ų | 104 | 122.5 Ų | 122.5 | 49% | 0.486 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -114 | -31.9 | 178.1 | -140.8 | 162.3 | 7.9 | 0 | 0 | 116.1 | W10 Y11 N17 | W10-Q13 PolarHBondContact O-N 2.9Å; Y11-Q13 PolarHBondContact O-N 2.85Å; Y11-Q13 VanDerWaalsContact O-N 3.1Å; Q13-N17 PolarHBondContact O-N 3.38Å; Q13-N17 PolarHBondContact O-ND2 3.36Å; Q13-N17 VanDerWaalsContact O-ND2 3.17Å |
| 14 | Q | 56.3 | Low | 57 | Low | 135 Ų | 135 | 122.5 Ų | 122.5 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -81 | -39.8 | -176 | -126.7 | -179.7 | 8.9 | 0 | 0 | 113.6 | M16 N17 Q18 | Q14-M16 VanDerWaalsContact C-N 3.32Å; Q14-M16 PolarHBondContact O-N 2.94Å; Q14-N17 PolarHBondContact O-N 3.37Å; Q14-Q18 PolarHBondContact O-N 3.08Å |
| 15 | H | 58.3 | Low | 58.7 | Low | 131 Ų | 131 | 123.5 Ų | 123.5 | 61% | 0.606 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.8 | -32.9 | 179.3 | -143.2 | -69.3 | 0 | 0 | 0 | 112 | Q18 Q19 | H15-Q18 PolarHBondContact O-N 3.17Å; H15-Q19 PolarHBondContact O-N 2.84Å |
| 16 | M | 58.9 | Low | 59.3 | Low | 104 Ų | 104 | 124.3 Ų | 124.3 | 51% | 0.512 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.7 | -37.7 | 173.7 | -76.2 | -65.8 | -72.6 | 0 | 0 | 112.3 | Q14 Q19 L20 | Q14-M16 VanDerWaalsContact C-N 3.32Å; Q14-M16 PolarHBondContact O-N 2.94Å; M16-Q19 PolarHBondContact O-N 3.29Å; M16-L20 PolarHBondContact O-N 3.48Å |
| 17 | N | 59.5 | Low | 60.8 | Low | 98 Ų | 98 | 122.9 Ų | 122.9 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.7 | -35.5 | 177.2 | -76.2 | -27.6 | 0 | 0 | 0 | 112.7 | Q13 Q14 Q19 L20 A21 | Q13-N17 PolarHBondContact O-N 3.38Å; Q13-N17 PolarHBondContact O-ND2 3.36Å; Q13-N17 VanDerWaalsContact O-ND2 3.17Å; Q14-N17 PolarHBondContact O-N 3.37Å; N17-Q19 VanDerWaalsContact C-N 3.33Å; N17-L20 PolarHBondContact O-N 2.99Å; N17-A21 WeakPolarHBondContact O-CB 3.23Å; N17-A21 PolarHBondContact O-N 3.2Å |
| 18 | Q | 64.9 | Low | 61.8 | Low | 122 Ų | 122 | 121.2 Ų | 121.2 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.2 | -33.4 | 173.8 | -77.8 | -174.9 | 3.2 | 0 | 0 | 112.6 | Q14 H15 R22 | Q14-Q18 PolarHBondContact O-N 3.08Å; H15-Q18 PolarHBondContact O-N 3.17Å; Q18-R22 WeakPolarHBondContact O-CG 3.32Å; Q18-R22 PolarHBondContact O-N 3.25Å; Q18-R22 VanDerWaalsContact O-N 3.15Å |
| 19 | Q | 61.2 | Low | 64 | Low | 113 Ų | 113 | 124.4 Ų | 124.4 | 53% | 0.528 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.6 | -43.9 | 172.6 | -73 | -173.9 | -13.9 | 0 | 0 | 112.1 | H15 M16 N17 A21 R22 Q23 | H15-Q19 PolarHBondContact O-N 2.84Å; M16-Q19 PolarHBondContact O-N 3.29Å; N17-Q19 VanDerWaalsContact C-N 3.33Å; Q19-A21 PolarHBondContact O-N 3.26Å; Q19-R22 PolarHBondContact O-N 3.41Å; Q19-Q23 PolarHBondContact O-N 3.14Å |
| 20 | L | 66.9 | Low | 65.2 | Low | 76 Ų | 76 | 120.8 Ų | 120.8 | 40% | 0.398 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.5 | -37.2 | 176.1 | -93 | 150.4 | 0 | 0 | 0 | 112.8 | M16 N17 Q23 R24 | M16-L20 PolarHBondContact O-N 3.48Å; N17-L20 PolarHBondContact O-N 2.99Å; L20-Q23 PolarHBondContact O-N 2.93Å; L20-R24 WeakPolarHBondContact O-CG 3.35Å; L20-R24 PolarHBondContact O-N 2.8Å |
| 21 | A | 63.7 | Low | 66.6 | Low | 53 Ų | 53 | 120.7 Ų | 120.7 | 44% | 0.438 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.5 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | N17 Q19 Q23 R24 E25 | N17-A21 WeakPolarHBondContact O-CB 3.23Å; N17-A21 PolarHBondContact O-N 3.2Å; Q19-A21 PolarHBondContact O-N 3.26Å; A21-Q23 PolarHBondContact O-N 3.34Å; A21-R24 PolarHBondContact O-N 3.19Å; A21-E25 PolarHBondContact O-N 2.87Å |
| 22 | R | 67.6 | Low | 67.8 | Low | 181 Ų | 181 | 117.3 Ų | 117.3 | 68% | 0.683 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.5 | -38.3 | 174.5 | -77.5 | -177.5 | 179.2 | 173.4 | 1.5 | 112.6 | Q18 Q19 Q26 | Q18-R22 WeakPolarHBondContact O-CG 3.32Å; Q18-R22 PolarHBondContact O-N 3.25Å; Q18-R22 VanDerWaalsContact O-N 3.15Å; Q19-R22 PolarHBondContact O-N 3.41Å; R22-Q26 WeakPolarHBondContact O-CG 3.46Å; R22-Q26 PolarHBondContact O-N 3.47Å; R22-Q26 VanDerWaalsContact O-N 3.13Å |
| 23 | Q | 70.4 | Confident | 68.9 | Low | 122 Ų | 122 | 120.3 Ų | 120.3 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.1 | -45.7 | 174.4 | -80.7 | -169.3 | -18.1 | 0 | 0 | 112.4 | Q19 L20 A21 E25 Q26 E27 | Q19-Q23 PolarHBondContact O-N 3.14Å; L20-Q23 PolarHBondContact O-N 2.93Å; A21-Q23 PolarHBondContact O-N 3.34Å; Q23-E25 VanDerWaalsContact C-N 3.33Å; Q23-E25 PolarHBondContact O-N 3.32Å; Q23-Q26 PolarHBondContact O-N 3.23Å; Q23-E27 PolarHBondContact O-N 3.16Å |
| 24 | R | 72.6 | Confident | 70.1 | Confident | 175 Ų | 175 | 124.8 Ų | 124.8 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.7 | -38.8 | 177.4 | -74.5 | -177.2 | -167.2 | 179.5 | 5.1 | 112.6 | L20 A21 A28 | L20-R24 WeakPolarHBondContact O-CG 3.35Å; L20-R24 PolarHBondContact O-N 2.8Å; A21-R24 PolarHBondContact O-N 3.19Å; R24-A28 WeakPolarHBondContact O-CB 3.35Å; R24-A28 PolarHBondContact O-N 2.84Å |
| 25 | E | 76.9 | Confident | 71.1 | Confident | 126 Ų | 126 | 124.3 Ų | 124.3 | 59% | 0.589 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.2 | -40.1 | 174.8 | -83.9 | -171.4 | 154.4 | 0 | 0 | 112.6 | A21 Q23 A28 R29 | A21-E25 PolarHBondContact O-N 2.87Å; Q23-E25 VanDerWaalsContact C-N 3.33Å; Q23-E25 PolarHBondContact O-N 3.32Å; E25-A28 PolarHBondContact O-N 3.34Å; E25-R29 WeakPolarHBondContact O-CG 3.27Å; E25-R29 PolarHBondContact O-N 2.87Å |
| 26 | Q | 66.9 | Low | 72.2 | Confident | 132 Ų | 132 | 124.5 Ų | 124.5 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.8 | -42.5 | 174.7 | -73.9 | -170 | 0.7 | 0 | 0 | 112.2 | R22 Q23 A28 R29 L30 | R22-Q26 WeakPolarHBondContact O-CG 3.46Å; R22-Q26 PolarHBondContact O-N 3.47Å; R22-Q26 VanDerWaalsContact O-N 3.13Å; Q23-Q26 PolarHBondContact O-N 3.23Å; Q26-A28 VanDerWaalsContact C-N 3.34Å; Q26-A28 PolarHBondContact O-N 3.41Å; Q26-R29 PolarHBondContact O-N 3.27Å; Q26-L30 PolarHBondContact O-N 2.76Å; Q26-L30 VanDerWaalsContact O-N 3.13Å |
| 27 | E | 81.2 | Confident | 73.3 | Confident | 110 Ų | 110 | 124.2 Ų | 124.2 | 51% | 0.514 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.2 | -37.3 | 174.4 | -75.5 | -174.6 | 165 | 0 | 0 | 112.5 | Q23 L30 R31 | Q23-E27 PolarHBondContact O-N 3.16Å; E27-L30 PolarHBondContact O-N 3.11Å; E27-R31 PolarHBondContact O-N 2.77Å |
| 28 | A | 71.3 | Confident | 74.3 | Confident | 50 Ų | 50 | 122.1 Ų | 122.1 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.2 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R24 E25 Q26 L30 R31 Q32 | R24-A28 WeakPolarHBondContact O-CB 3.35Å; R24-A28 PolarHBondContact O-N 2.84Å; E25-A28 PolarHBondContact O-N 3.34Å; Q26-A28 VanDerWaalsContact C-N 3.34Å; Q26-A28 PolarHBondContact O-N 3.41Å; A28-L30 VanDerWaalsContact C-N 3.33Å; A28-L30 PolarHBondContact O-N 2.76Å; A28-R31 PolarHBondContact O-N 3.38Å; A28-Q32 PolarHBondContact O-N 2.77Å; A28-Q32 VanDerWaalsContact O-N 3.08Å |
| 29 | R | 82.4 | Confident | 74.9 | Confident | 172 Ų | 172 | 125.3 Ų | 125.3 | 65% | 0.649 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.4 | -39.9 | 174.4 | -74.2 | -179.7 | -173.2 | 179.8 | 3.9 | 112.1 | E25 Q26 Q33 | E25-R29 WeakPolarHBondContact O-CG 3.27Å; E25-R29 PolarHBondContact O-N 2.87Å; Q26-R29 PolarHBondContact O-N 3.27Å; R29-Q33 PolarHBondContact O-N 3.47Å; R29-Q33 VanDerWaalsContact O-N 3.13Å |
| 30 | L | 77.5 | Confident | 76.1 | Confident | 97 Ų | 97 | 127.9 Ų | 127.9 | 51% | 0.508 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.8 | -44.8 | 175.4 | -84.6 | 158.5 | 0 | 0 | 0 | 112.2 | Q26 E27 A28 Q32 Q33 W34 | Q26-L30 PolarHBondContact O-N 2.76Å; Q26-L30 VanDerWaalsContact O-N 3.13Å; E27-L30 PolarHBondContact O-N 3.11Å; A28-L30 VanDerWaalsContact C-N 3.33Å; A28-L30 PolarHBondContact O-N 2.76Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; L30-Q32 PolarHBondContact O-N 2.89Å; L30-Q33 PolarHBondContact O-N 3.34Å; L30-W34 VanDerWaalsContact O-CD1 3.23Å; L30-W34 PolarHBondContact O-N 3.34Å |
| 31 | R | 79.6 | Confident | 76.7 | Confident | 180 Ų | 180 | 130 Ų | 130 | 68% | 0.679 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.9 | -41.2 | 176.6 | -73 | -177.8 | -173.4 | 166 | 5.6 | 112.6 | E27 A28 W34 E35 | E27-R31 PolarHBondContact O-N 2.77Å; A28-R31 PolarHBondContact O-N 3.38Å; R31-W34 PolarHBondContact O-N 2.99Å; R31-E35 PolarHBondContact O-N 3.35Å |
| 32 | Q | 74.1 | Confident | 77.4 | Confident | 121 Ų | 121 | 136.2 Ų | 136.2 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.1 | -42.6 | 175.7 | -78.5 | -175.6 | -13.9 | 0 | 0 | 112.6 | A28 L30 W34 E35 Q36 | A28-Q32 PolarHBondContact O-N 2.77Å; A28-Q32 VanDerWaalsContact O-N 3.08Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; L30-Q32 PolarHBondContact O-N 2.89Å; Q32-W34 VanDerWaalsContact C-N 3.31Å; Q32-W34 PolarHBondContact O-N 2.89Å; Q32-E35 PolarHBondContact O-N 2.91Å; Q32-Q36 WeakPolarHBondContact O-CG 3.45Å; Q32-Q36 PolarHBondContact O-N 2.88Å |
| 33 | Q | 82.6 | Confident | 77.9 | Confident | 124 Ų | 124 | 133.8 Ų | 133.8 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.8 | -39.6 | 174.1 | -79.3 | -176.9 | -19 | 0 | 0 | 111.9 | R29 L30 Q36 N37 | R29-Q33 PolarHBondContact O-N 3.47Å; R29-Q33 VanDerWaalsContact O-N 3.13Å; L30-Q33 PolarHBondContact O-N 3.34Å; Q33-Q36 PolarHBondContact O-N 3.49Å; Q33-N37 PolarHBondContact O-N 2.9Å |
| 34 | W | 78.9 | Confident | 78.2 | Confident | 199 Ų | 199 | 130.6 Ų | 130.6 | 75% | 0.754 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.2 | -41.8 | 176.7 | -85.9 | 63.5 | 0 | 0 | 0 | 112.9 | L30 R31 Q32 N37 S38 | L30-W34 VanDerWaalsContact O-CD1 3.23Å; L30-W34 PolarHBondContact O-N 3.34Å; R31-W34 PolarHBondContact O-N 2.99Å; Q32-W34 VanDerWaalsContact C-N 3.31Å; Q32-W34 PolarHBondContact O-N 2.89Å; W34-N37 PolarHBondContact O-N 3.33Å; W34-S38 WeakPolarHBondContact O-CB 3.46Å; W34-S38 PolarHBondContact O-N 2.81Å |
| 35 | E | 78.1 | Confident | 78.2 | Confident | 125 Ų | 125 | 127.3 Ų | 127.3 | 58% | 0.584 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.8 | -44.9 | 174.9 | -81.9 | -176.8 | 165.2 | 0 | 0 | 111.9 | R31 Q32 S38 R39 | R31-E35 PolarHBondContact O-N 3.35Å; Q32-E35 PolarHBondContact O-N 2.91Å; E35-S38 PolarHBondContact O-N 2.84Å; E35-S38 PolarHBondContact O-OG 2.86Å; E35-R39 PolarHBondContact O-N 3.47Å |
| 36 | Q | 81.9 | Confident | 78.2 | Confident | 135 Ų | 135 | 126.5 Ų | 126.5 | 63% | 0.631 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.1 | -46 | 176.5 | -73.2 | 178.9 | 10.5 | 0 | 0 | 111.7 | Q32 Q33 R39 Y40 | Q32-Q36 WeakPolarHBondContact O-CG 3.45Å; Q32-Q36 PolarHBondContact O-N 2.88Å; Q33-Q36 PolarHBondContact O-N 3.49Å; Q36-R39 PolarHBondContact O-N 2.84Å; Q36-Y40 PolarHBondContact O-N 3.5Å; Q36-Y40 VanDerWaalsContact O-N 3.11Å |
| 37 | N | 80.6 | Confident | 78.7 | Confident | 98 Ų | 98 | 123.8 Ų | 123.8 | 52% | 0.524 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63 | -43.8 | 175.7 | -104.4 | -10.1 | 0 | 0 | 0 | 112 | Q33 W34 R39 Y40 F41 | Q33-N37 PolarHBondContact O-N 2.9Å; W34-N37 PolarHBondContact O-N 3.33Å; N37-R39 VanDerWaalsContact C-N 3.31Å; N37-R39 PolarHBondContact O-N 3.44Å; N37-Y40 WeakPolarHBondContact O-CB 3.48Å; N37-Y40 PolarHBondContact O-N 3.44Å; N37-Y40 VanDerWaalsContact O-N 3.16Å; N37-F41 HydrophobicContact CB-CE2 4.47Å; N37-F41 WeakPolarHBondContact O-CD2 3.19Å; N37-F41 PolarHBondContact O-N 2.89Å; N37-F41 VanDerWaalsContact O-N 3.09Å |
| 38 | S | 80.3 | Confident | 78.6 | Confident | 53 Ų | 53 | 122.1 Ų | 122.1 | 37% | 0.371 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62 | -37.4 | 179.8 | 80.8 | 0 | 0 | 0 | 0 | 112.7 | W34 E35 R42 | W34-S38 WeakPolarHBondContact O-CB 3.46Å; W34-S38 PolarHBondContact O-N 2.81Å; E35-S38 PolarHBondContact O-N 2.84Å; E35-S38 PolarHBondContact O-OG 2.86Å; S38-R42 WeakPolarHBondContact O-CG 3.29Å; S38-R42 PolarHBondContact O-N 2.92Å; S38-R42 VanDerWaalsContact O-N 3.14Å |
| 39 | R | 79.3 | Confident | 78.7 | Confident | 189 Ų | 189 | 122.6 Ų | 122.6 | 71% | 0.713 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.8 | -42 | 174.6 | -79.4 | -176.5 | 176.9 | -176.6 | 1 | 111.6 | E35 Q36 N37 R42 M43 | E35-R39 PolarHBondContact O-N 3.47Å; Q36-R39 PolarHBondContact O-N 2.84Å; N37-R39 VanDerWaalsContact C-N 3.31Å; N37-R39 PolarHBondContact O-N 3.44Å; R39-R42 PolarHBondContact O-N 3.21Å; R39-M43 PolarHBondContact O-N 3.35Å |
| 40 | Y | 85.1 | Confident | 78.5 | Confident | 167 Ų | 167 | 118.8 Ų | 118.8 | 66% | 0.655 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.7 | -46.9 | 178.6 | -168.2 | -92.2 | 0 | 0 | 0 | 111.4 | Q36 N37 M43 S44 | Q36-Y40 PolarHBondContact O-N 3.5Å; Q36-Y40 VanDerWaalsContact O-N 3.11Å; N37-Y40 WeakPolarHBondContact O-CB 3.48Å; N37-Y40 PolarHBondContact O-N 3.44Å; N37-Y40 VanDerWaalsContact O-N 3.16Å; Y40-M43 PolarHBondContact O-N 2.8Å; Y40-S44 WeakPolarHBondContact O-CB 3.32Å; Y40-S44 PolarHBondContact O-N 3.15Å |
| 41 | F | 80.1 | Confident | 78.6 | Confident | 122 Ų | 122 | 120.7 Ų | 120.7 | 54% | 0.535 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -42.5 | 178.1 | -70.5 | -66.6 | 0 | 0 | 0 | 112.9 | N37 M43 S44 D45 | N37-F41 HydrophobicContact CB-CE2 4.47Å; N37-F41 WeakPolarHBondContact O-CD2 3.19Å; N37-F41 PolarHBondContact O-N 2.89Å; N37-F41 VanDerWaalsContact O-N 3.09Å; F41-M43 VanDerWaalsContact C-N 3.33Å; F41-M43 PolarHBondContact O-N 3.43Å; F41-S44 WeakPolarHBondContact O-CB 3.31Å; F41-S44 PolarHBondContact O-N 2.99Å; F41-S44 VanDerWaalsContact O-N 3.17Å; F41-D45 VanDerWaalsContact O-CG 3.23Å; F41-D45 PolarHBondContact O-N 3.41Å |
| 42 | R | 78.8 | Confident | 78.2 | Confident | 182 Ų | 182 | 114.9 Ų | 114.9 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.9 | -41.8 | 174.8 | -72.3 | -177.7 | -170.8 | -176.4 | 4.1 | 112.7 | S38 R39 D45 I46 | S38-R42 WeakPolarHBondContact O-CG 3.29Å; S38-R42 PolarHBondContact O-N 2.92Å; S38-R42 VanDerWaalsContact O-N 3.14Å; R39-R42 PolarHBondContact O-N 3.21Å; R42-D45 PolarHBondContact O-N 2.85Å; R42-I46 WeakPolarHBondContact O-CG1 3.3Å; R42-I46 PolarHBondContact O-N 2.89Å |
| 43 | M | 76.8 | Confident | 78.1 | Confident | 130 Ų | 130 | 114.1 Ų | 114.1 | 64% | 0.64 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.3 | -43.4 | 175.5 | -84.2 | -155.4 | 55.4 | 0 | 0 | 111.6 | R39 Y40 F41 D45 I46 C47 | R39-M43 PolarHBondContact O-N 3.35Å; Y40-M43 PolarHBondContact O-N 2.8Å; F41-M43 VanDerWaalsContact C-N 3.33Å; F41-M43 PolarHBondContact O-N 3.43Å; M43-D45 VanDerWaalsContact C-N 3.32Å; M43-D45 PolarHBondContact O-N 2.82Å; M43-I46 PolarHBondContact O-N 2.97Å; M43-C47 PolarHBondContact O-N 3.38Å; M43-C47 PolarHBondContact O-SG 2.85Å; M43-C47 VanDerWaalsContact O-SG 3.36Å |
| 44 | S | 77.9 | Confident | 77.6 | Confident | 55 Ų | 55 | 117.4 Ų | 117.4 | 39% | 0.385 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60 | -41 | 176.2 | -173.8 | 0 | 0 | 0 | 0 | 112 | Y40 F41 C47 S48 | Y40-S44 WeakPolarHBondContact O-CB 3.32Å; Y40-S44 PolarHBondContact O-N 3.15Å; F41-S44 WeakPolarHBondContact O-CB 3.31Å; F41-S44 PolarHBondContact O-N 2.99Å; F41-S44 VanDerWaalsContact O-N 3.17Å; S44-C47 PolarHBondContact O-N 2.83Å; S44-S48 VanDerWaalsContact O-CB 3.29Å; S44-S48 WeakPolarHBondContact O-CB 3.21Å; S44-S48 PolarHBondContact O-N 3.2Å |
| 45 | D | 71.8 | Confident | 77.5 | Confident | 107 Ų | 107 | 112.3 Ų | 112.3 | 57% | 0.572 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.3 | -39.4 | 179.5 | -69.1 | -25.4 | 0 | 0 | 0 | 112.3 | F41 R42 M43 S48 S49 | F41-D45 VanDerWaalsContact O-CG 3.23Å; F41-D45 PolarHBondContact O-N 3.41Å; R42-D45 PolarHBondContact O-N 2.85Å; M43-D45 VanDerWaalsContact C-N 3.32Å; M43-D45 PolarHBondContact O-N 2.82Å; D45-S48 PolarHBondContact O-N 3.44Å; D45-S49 PolarHBondContact O-N 2.93Å |
| 46 | I | 77.8 | Confident | 77.4 | Confident | 109 Ų | 109 | 108.2 Ų | 108.2 | 56% | 0.559 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66 | -44.6 | 174.6 | -64.6 | 165.8 | 0 | 0 | 0 | 110.7 | R42 M43 S48 S49 K50 | R42-I46 WeakPolarHBondContact O-CG1 3.3Å; R42-I46 PolarHBondContact O-N 2.89Å; M43-I46 PolarHBondContact O-N 2.97Å; I46-S48 VanDerWaalsContact C-N 3.33Å; I46-S49 PolarHBondContact O-N 3.38Å; I46-S49 PolarHBondContact O-OG 3.43Å; I46-K50 PolarHBondContact O-N 2.78Å; I46-K50 VanDerWaalsContact O-N 3.09Å |
| 47 | C | 77.6 | Confident | 76.8 | Confident | 74 Ų | 74 | 109.8 Ų | 109.8 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 176.9 | -72.3 | 0 | 0 | 0 | 0 | 111.2 | M43 S44 K50 Q51 | M43-C47 PolarHBondContact O-N 3.38Å; M43-C47 PolarHBondContact O-SG 2.85Å; M43-C47 VanDerWaalsContact O-SG 3.36Å; S44-C47 PolarHBondContact O-N 2.83Å; C47-K50 PolarHBondContact O-N 3.3Å; C47-Q51 VanDerWaalsContact O-CB 3.27Å; C47-Q51 WeakPolarHBondContact O-CB 3.48Å; C47-Q51 PolarHBondContact O-N 2.97Å |
| 48 | S | 77.8 | Confident | 76.3 | Confident | 76 Ų | 76 | 109.7 Ų | 109.7 | 53% | 0.531 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 178.3 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | S44 D45 I46 Q51 A52 | S44-S48 VanDerWaalsContact O-CB 3.29Å; S44-S48 WeakPolarHBondContact O-CB 3.21Å; S44-S48 PolarHBondContact O-N 3.2Å; D45-S48 PolarHBondContact O-N 3.44Å; I46-S48 VanDerWaalsContact C-N 3.33Å; S48-Q51 PolarHBondContact O-N 2.92Å; S48-A52 PolarHBondContact O-N 3.4Å |
| 49 | S | 74.8 | Confident | 76 | Confident | 60 Ų | 60 | 109.7 Ų | 109.7 | 42% | 0.42 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 179.5 | 82.5 | 0 | 0 | 0 | 0 | 112.8 | D45 I46 A52 E53 | D45-S49 PolarHBondContact O-N 2.93Å; I46-S49 PolarHBondContact O-N 3.38Å; I46-S49 PolarHBondContact O-OG 3.43Å; S49-A52 WeakPolarHBondContact O-CB 3.38Å; S49-A52 PolarHBondContact O-N 3.46Å; S49-E53 PolarHBondContact O-N 2.91Å |
| 50 | K | 76.3 | Confident | 76 | Confident | 92 Ų | 92 | 108.2 Ų | 108.2 | 40% | 0.4 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.5 | -37.1 | 176.6 | -73.2 | -71.6 | 162.4 | -158 | 0 | 112.4 | I46 C47 A52 E53 W54 | I46-K50 PolarHBondContact O-N 2.78Å; I46-K50 VanDerWaalsContact O-N 3.09Å; C47-K50 PolarHBondContact O-N 3.3Å; K50-A52 VanDerWaalsContact C-N 3.3Å; K50-A52 PolarHBondContact O-N 3.19Å; K50-E53 IonicContact NZ-OE1 2.79Å; K50-E53 IonicContact NZ-OE2 2.9Å; K50-E53 PolarHBondContact NZ-OE2 3.34Å; K50-E53 PolarHBondContact O-N 3.17Å; K50-W54 PolarHBondContact O-N 3.49Å |
| 51 | Q | 79.5 | Confident | 75.6 | Confident | 136 Ų | 136 | 104.9 Ų | 104.9 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.9 | -39.8 | 173.6 | -170.6 | 156.2 | -9 | 0 | 0 | 111 | C47 S48 W54 S55 | C47-Q51 VanDerWaalsContact O-CB 3.27Å; C47-Q51 WeakPolarHBondContact O-CB 3.48Å; C47-Q51 PolarHBondContact O-N 2.97Å; S48-Q51 PolarHBondContact O-N 2.92Å; Q51-W54 PolarHBondContact O-N 2.9Å; Q51-S55 WeakPolarHBondContact O-CB 3.47Å; Q51-S55 PolarHBondContact O-N 3.48Å; Q51-S55 PolarHBondContact O-OG 2.92Å |
| 52 | A | 71.3 | Confident | 75.4 | Confident | 59 Ų | 59 | 109.1 Ų | 109.1 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S48 S49 K50 S55 S56 | S48-A52 PolarHBondContact O-N 3.4Å; S49-A52 WeakPolarHBondContact O-CB 3.38Å; S49-A52 PolarHBondContact O-N 3.46Å; K50-A52 VanDerWaalsContact C-N 3.3Å; K50-A52 PolarHBondContact O-N 3.19Å; A52-S55 WeakPolarHBondContact CA-OG 3.28Å; A52-S55 PolarHBondContact O-OG 3.18Å; A52-S56 PolarHBondContact O-N 3.04Å; A52-S56 VanDerWaalsContact O-N 3.11Å |
| 53 | E | 72.9 | Confident | 75.4 | Confident | 104 Ų | 104 | 104.2 Ų | 104.2 | 49% | 0.486 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 174.4 | -75.6 | -179.5 | 174.6 | 0 | 0 | 112.1 | S49 K50 S56 | S49-E53 PolarHBondContact O-N 2.91Å; K50-E53 IonicContact NZ-OE1 2.79Å; K50-E53 IonicContact NZ-OE2 2.9Å; K50-E53 PolarHBondContact NZ-OE2 3.34Å; K50-E53 PolarHBondContact O-N 3.17Å; E53-S56 VanDerWaalsContact O-CB 3.31Å; E53-S56 WeakPolarHBondContact O-CB 3.45Å; E53-S56 PolarHBondContact O-N 2.63Å; E53-S56 PolarHBondContact O-OG 2.9Å |
| 54 | W | 72.5 | Confident | 75.5 | Confident | 194 Ų | 194 | 101.1 Ų | 101.1 | 74% | 0.735 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.7 | -34.7 | -180 | -69.5 | -16.6 | 0 | 0 | 0 | 113.1 | K50 Q51 S56 | K50-W54 PolarHBondContact O-N 3.49Å; Q51-W54 PolarHBondContact O-N 2.9Å; W54-S56 PolarHBondContact O-N 3.35Å |
| 55 | S | 76.1 | Confident | 75.6 | Confident | 92 Ų | 92 | 103.9 Ų | 103.9 | 64% | 0.643 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -3.6 | 173.6 | 65 | 0 | 0 | 0 | 0 | 113.3 | Q51 A52 | Q51-S55 WeakPolarHBondContact O-CB 3.47Å; Q51-S55 PolarHBondContact O-N 3.48Å; Q51-S55 PolarHBondContact O-OG 2.92Å; A52-S55 WeakPolarHBondContact CA-OG 3.28Å; A52-S55 PolarHBondContact O-OG 3.18Å |
| 56 | S | 75.3 | Confident | 76 | Confident | 39 Ų | 39 | 101.6 Ų | 101.6 | 27% | 0.273 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -69.3 | 138.5 | 179.7 | 76.2 | 0 | 0 | 0 | 0 | 111.5 | A52 E53 W54 T58 S59 | A52-S56 PolarHBondContact O-N 3.04Å; A52-S56 VanDerWaalsContact O-N 3.11Å; E53-S56 VanDerWaalsContact O-CB 3.31Å; E53-S56 WeakPolarHBondContact O-CB 3.45Å; E53-S56 PolarHBondContact O-N 2.63Å; E53-S56 PolarHBondContact O-OG 2.9Å; W54-S56 PolarHBondContact O-N 3.35Å; S56-T58 PolarHBondContact O-N 3.44Å; S56-T58 VanDerWaalsContact O-N 3.11Å; S56-T58 PolarHBondContact OG-OG1 3.23Å; S56-S59 WeakPolarHBondContact O-CB 3.06Å; S56-S59 PolarHBondContact O-N 3.42Å; S56-S59 VanDerWaalsContact O-N 3.08Å |
| 57 | K | 70.9 | Confident | 76.1 | Confident | 167 Ų | 167 | 103.5 Ų | 103.5 | 73% | 0.726 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -56.8 | -28.8 | 179.4 | -167.8 | 170.7 | -178.6 | 175.9 | 0 | 112.9 | Q61 | K57-Q61 WeakPolarHBondContact O-CG 3.19Å; K57-Q61 PolarHBondContact O-N 3.43Å |
| 58 | T | 69.8 | Low | 76.1 | Confident | 97 Ų | 97 | 105 Ų | 105 | 60% | 0.595 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.5 | -32.1 | 178.2 | 25.7 | 0 | 0 | 0 | 0 | 113.7 | S56 R62 | S56-T58 PolarHBondContact O-N 3.44Å; S56-T58 VanDerWaalsContact O-N 3.11Å; S56-T58 PolarHBondContact OG-OG1 3.23Å; T58-R62 PolarHBondContact O-N 3.23Å |
| 59 | S | 74.7 | Confident | 76.2 | Confident | 53 Ų | 53 | 110.5 Ų | 110.5 | 37% | 0.371 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 175.5 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | S56 Q61 R62 S63 | S56-S59 WeakPolarHBondContact O-CB 3.06Å; S56-S59 PolarHBondContact O-N 3.42Å; S56-S59 VanDerWaalsContact O-N 3.08Å; S59-Q61 PolarHBondContact O-N 2.91Å; S59-R62 PolarHBondContact O-N 3.4Å; S59-S63 PolarHBondContact O-N 3.41Å; S59-S63 VanDerWaalsContact O-N 3.17Å |
| 60 | Y | 77.4 | Confident | 76.4 | Confident | 158 Ų | 158 | 112.7 Ų | 112.7 | 62% | 0.62 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60 | -43.7 | 178.5 | 179.8 | -102.3 | 0 | 0 | 0 | 112.4 | R62 S63 M64 | Y60-R62 PolarHBondContact O-N 2.92Å; Y60-S63 PolarHBondContact O-N 3.3Å; Y60-M64 HydrophobicContact CD1-CG 4.27Å; Y60-M64 HydrophobicContact CD2-CG 4.49Å; Y60-M64 HydrophobicContact CE1-CG 3.85Å; Y60-M64 HydrophobicContact CE2-CG 4.09Å; Y60-M64 HydrophobicContact CE2-SD 4.39Å; Y60-M64 WeakPolarHBondContact O-CG 3.22Å; Y60-M64 PolarHBondContact O-N 2.95Å |
| 61 | Q | 78.4 | Confident | 76.7 | Confident | 96 Ų | 96 | 113.4 Ų | 113.4 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 178.4 | -72.6 | 177.8 | -15.4 | 0 | 0 | 112.7 | K57 S59 M64 H65 | K57-Q61 WeakPolarHBondContact O-CG 3.19Å; K57-Q61 PolarHBondContact O-N 3.43Å; S59-Q61 PolarHBondContact O-N 2.91Å; Q61-M64 PolarHBondContact O-N 3.33Å; Q61-H65 PolarHBondContact O-CD2 2.85Å; Q61-H65 PolarHBondContact O-N 2.89Å; Q61-H65 VanDerWaalsContact O-N 3.13Å |
| 62 | R | 75.9 | Confident | 76.7 | Confident | 212 Ų | 212 | 112.1 Ų | 112.1 | 80% | 0.8 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 175.4 | -92.8 | -179.2 | 174.5 | 168 | -0.9 | 112.5 | T58 S59 Y60 A66 | T58-R62 PolarHBondContact O-N 3.23Å; S59-R62 PolarHBondContact O-N 3.4Å; Y60-R62 PolarHBondContact O-N 2.92Å; R62-A66 PolarHBondContact O-N 3.43Å |
| 63 | S | 77.4 | Confident | 77.2 | Confident | 79 Ų | 79 | 115.1 Ų | 115.1 | 55% | 0.552 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63 | -47.1 | 176.1 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | S59 Y60 H65 A66 Y67 | S59-S63 PolarHBondContact O-N 3.41Å; S59-S63 VanDerWaalsContact O-N 3.17Å; Y60-S63 PolarHBondContact O-N 3.3Å; S63-H65 PolarHBondContact O-N 3.46Å; S63-A66 PolarHBondContact O-N 3.19Å; S63-Y67 PolarHBondContact O-N 3.46Å; S63-Y67 VanDerWaalsContact O-N 3.1Å |
| 64 | M | 79.7 | Confident | 77.6 | Confident | 64 Ų | 64 | 115 Ų | 115 | 32% | 0.315 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.8 | -37.4 | -178.1 | -74.3 | -56.1 | -59.7 | 0 | 0 | 113.4 | Y60 Q61 Y67 Q68 | Y60-M64 HydrophobicContact CD1-CG 4.27Å; Y60-M64 HydrophobicContact CD2-CG 4.49Å; Y60-M64 HydrophobicContact CE1-CG 3.85Å; Y60-M64 HydrophobicContact CE2-CG 4.09Å; Y60-M64 HydrophobicContact CE2-SD 4.39Å; Y60-M64 WeakPolarHBondContact O-CG 3.22Å; Y60-M64 PolarHBondContact O-N 2.95Å; Q61-M64 PolarHBondContact O-N 3.33Å; M64-Y67 PolarHBondContact O-N 3.35Å; M64-Q68 WeakPolarHBondContact O-CG 3.38Å; M64-Q68 PolarHBondContact O-N 3.41Å; M64-Q68 VanDerWaalsContact O-N 3.09Å |
| 65 | H | 79.3 | Confident | 78.1 | Confident | 114 Ų | 114 | 109.7 Ų | 109.7 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.1 | -33.3 | 175.6 | -75.8 | -53.5 | 0 | 0 | 0 | 113.4 | Q61 S63 R69 | Q61-H65 PolarHBondContact O-CD2 2.85Å; Q61-H65 PolarHBondContact O-N 2.89Å; Q61-H65 VanDerWaalsContact O-N 3.13Å; S63-H65 PolarHBondContact O-N 3.46Å; H65-R69 WeakPolarHBondContact O-CG 3.45Å; H65-R69 PolarHBondContact O-N 2.85Å |
| 66 | A | 79.9 | Confident | 78.4 | Confident | 58 Ų | 58 | 112.3 Ų | 112.3 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | R62 S63 Q68 R69 E70 | R62-A66 PolarHBondContact O-N 3.43Å; S63-A66 PolarHBondContact O-N 3.19Å; A66-Q68 PolarHBondContact O-N 2.92Å; A66-R69 PolarHBondContact O-N 3.48Å; A66-E70 PolarHBondContact O-N 3.07Å |
| 67 | Y | 80.8 | Confident | 78.8 | Confident | 149 Ų | 149 | 118.7 Ų | 118.7 | 58% | 0.584 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.6 | -43.9 | 176.8 | 178.7 | -103.8 | 0 | 0 | 0 | 112.9 | S63 M64 R69 E70 K71 | S63-Y67 PolarHBondContact O-N 3.46Å; S63-Y67 VanDerWaalsContact O-N 3.1Å; M64-Y67 PolarHBondContact O-N 3.35Å; Y67-R69 VanDerWaalsContact C-N 3.33Å; Y67-R69 PolarHBondContact O-N 2.97Å; Y67-E70 PolarHBondContact O-N 2.97Å; Y67-K71 PolarHBondContact O-N 2.9Å; Y67-K71 VanDerWaalsContact O-N 3.09Å |
| 68 | Q | 78.6 | Confident | 79.4 | Confident | 107 Ų | 107 | 117.3 Ų | 117.3 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 177.8 | -73.4 | 174.5 | -9.3 | 0 | 0 | 112.6 | M64 A66 K71 M72 | M64-Q68 WeakPolarHBondContact O-CG 3.38Å; M64-Q68 PolarHBondContact O-N 3.41Å; M64-Q68 VanDerWaalsContact O-N 3.09Å; A66-Q68 PolarHBondContact O-N 2.92Å; Q68-K71 PolarHBondContact O-N 3.47Å; Q68-M72 WeakPolarHBondContact O-CG 3.39Å; Q68-M72 PolarHBondContact O-N 3.45Å |
| 69 | R | 79.6 | Confident | 80.1 | Confident | 190 Ų | 190 | 116.7 Ų | 116.7 | 72% | 0.717 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.4 | -39.5 | 176.5 | -77 | -178.6 | 179.2 | -177.5 | 0.7 | 112.7 | H65 A66 Y67 K73 | H65-R69 WeakPolarHBondContact O-CG 3.45Å; H65-R69 PolarHBondContact O-N 2.85Å; A66-R69 PolarHBondContact O-N 3.48Å; Y67-R69 VanDerWaalsContact C-N 3.33Å; Y67-R69 PolarHBondContact O-N 2.97Å; R69-K73 PolarHBondContact O-N 3.28Å |
| 70 | E | 79.3 | Confident | 80.6 | Confident | 106 Ų | 106 | 119.2 Ų | 119.2 | 50% | 0.495 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 174.6 | -78.2 | -78.4 | 121.1 | 0 | 0 | 110.8 | A66 Y67 M72 K73 E74 | A66-E70 PolarHBondContact O-N 3.07Å; Y67-E70 PolarHBondContact O-N 2.97Å; E70-M72 VanDerWaalsContact C-N 3.33Å; E70-M72 PolarHBondContact O-N 3.11Å; E70-K73 WeakPolarHBondContact O-CB 3.27Å; E70-K73 PolarHBondContact O-N 2.98Å; E70-E74 PolarHBondContact O-N 2.94Å; E70-E74 VanDerWaalsContact O-N 3.09Å |
| 71 | K | 80.9 | Confident | 81.1 | Confident | 108 Ų | 108 | 116.5 Ų | 116.5 | 47% | 0.47 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.1 | -42.3 | -179.6 | -161.8 | -171.7 | 177.2 | -168.5 | 0 | 113.1 | Y67 Q68 K73 E74 E75 | Y67-K71 PolarHBondContact O-N 2.9Å; Y67-K71 VanDerWaalsContact O-N 3.09Å; Q68-K71 PolarHBondContact O-N 3.47Å; K71-K73 VanDerWaalsContact C-N 3.31Å; K71-K73 PolarHBondContact O-N 2.93Å; K71-E74 PolarHBondContact O-N 3.37Å; K71-E75 PolarHBondContact O-N 2.99Å; K71-E75 VanDerWaalsContact O-N 3.11Å |
| 72 | M | 80.1 | Confident | 81.4 | Confident | 108 Ų | 108 | 114.2 Ų | 114.2 | 53% | 0.532 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67 | -29.1 | 177.4 | -64.7 | -57.7 | -64.5 | 0 | 0 | 113.3 | Q68 E70 K76 | Q68-M72 WeakPolarHBondContact O-CG 3.39Å; Q68-M72 PolarHBondContact O-N 3.45Å; E70-M72 VanDerWaalsContact C-N 3.33Å; E70-M72 PolarHBondContact O-N 3.11Å; M72-K76 WeakPolarHBondContact O-CG 3.23Å; M72-K76 PolarHBondContact O-N 2.98Å |
| 73 | K | 81.4 | Confident | 81.8 | Confident | 123 Ų | 123 | 112.7 Ų | 112.7 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72 | -39.5 | 174.3 | -71 | 176.2 | -177.3 | 173.7 | 0 | 111.1 | R69 E70 K71 K76 R77 | R69-K73 PolarHBondContact O-N 3.28Å; E70-K73 WeakPolarHBondContact O-CB 3.27Å; E70-K73 PolarHBondContact O-N 2.98Å; K71-K73 VanDerWaalsContact C-N 3.31Å; K71-K73 PolarHBondContact O-N 2.93Å; K73-K76 PolarHBondContact O-N 3.48Å; K73-R77 WeakPolarHBondContact O-CG 3.34Å; K73-R77 PolarHBondContact O-N 3.16Å |
| 74 | E | 81.1 | Confident | 82.3 | Confident | 101 Ų | 101 | 116.8 Ų | 116.8 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 175.9 | -67.8 | -175.7 | 159.7 | 0 | 0 | 112.2 | E70 K71 K76 R77 K78 | E70-E74 PolarHBondContact O-N 2.94Å; E70-E74 VanDerWaalsContact O-N 3.09Å; K71-E74 PolarHBondContact O-N 3.37Å; E74-K76 VanDerWaalsContact C-N 3.32Å; E74-K76 PolarHBondContact O-N 3.3Å; E74-R77 WeakPolarHBondContact O-CB 3.39Å; E74-R77 PolarHBondContact O-N 2.86Å; E74-R77 VanDerWaalsContact O-N 3.15Å; E74-K78 WeakPolarHBondContact O-CG 3.41Å; E74-K78 PolarHBondContact O-N 3.34Å |
| 75 | E | 83.8 | Confident | 82.6 | Confident | 83 Ų | 83 | 118.6 Ų | 118.6 | 39% | 0.388 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 176.8 | -71.7 | 174.6 | -176 | 0 | 0 | 112.5 | K71 K78 S79 | K71-E75 PolarHBondContact O-N 2.99Å; K71-E75 VanDerWaalsContact O-N 3.11Å; E75-K78 PolarHBondContact O-N 3.27Å; E75-S79 PolarHBondContact O-N 3.26Å; E75-S79 PolarHBondContact O-OG 2.97Å; E75-S79 VanDerWaalsContact O-OG 3.06Å |
| 76 | K | 82.4 | Confident | 83 | Confident | 147 Ų | 147 | 120.2 Ų | 120.2 | 64% | 0.639 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.2 | -37.4 | 172.7 | -72.5 | 179.1 | -178.7 | -177 | 0 | 112.4 | M72 K73 E74 S79 L80 | M72-K76 WeakPolarHBondContact O-CG 3.23Å; M72-K76 PolarHBondContact O-N 2.98Å; K73-K76 PolarHBondContact O-N 3.48Å; E74-K76 VanDerWaalsContact C-N 3.32Å; E74-K76 PolarHBondContact O-N 3.3Å; K76-S79 PolarHBondContact O-N 3.41Å; K76-L80 PolarHBondContact O-N 3.07Å; K76-L80 VanDerWaalsContact O-N 3.11Å |
| 77 | R | 83.1 | Confident | 83.3 | Confident | 173 Ų | 173 | 122.1 Ų | 122.1 | 65% | 0.653 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.6 | -46.6 | 174.5 | -74.1 | 178.5 | 176.4 | 179 | -0.7 | 111.4 | K73 E74 S79 L80 E81 | K73-R77 WeakPolarHBondContact O-CG 3.34Å; K73-R77 PolarHBondContact O-N 3.16Å; E74-R77 WeakPolarHBondContact O-CB 3.39Å; E74-R77 PolarHBondContact O-N 2.86Å; E74-R77 VanDerWaalsContact O-N 3.15Å; R77-S79 VanDerWaalsContact C-N 3.33Å; R77-S79 PolarHBondContact O-N 2.84Å; R77-L80 WeakPolarHBondContact O-CB 3.32Å; R77-L80 PolarHBondContact O-N 3.24Å; R77-L80 VanDerWaalsContact O-N 3.12Å; R77-E81 PolarHBondContact O-N 3.04Å |
| 78 | K | 83.6 | Confident | 83.5 | Confident | 137 Ų | 137 | 121.1 Ų | 121.1 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 175.9 | -71.8 | 175.2 | 176.8 | 174.8 | 0 | 112.1 | E74 E75 L80 E81 A82 | E74-K78 WeakPolarHBondContact O-CG 3.41Å; E74-K78 PolarHBondContact O-N 3.34Å; E75-K78 PolarHBondContact O-N 3.27Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 2.88Å; K78-E81 PolarHBondContact O-N 3.44Å; K78-A82 WeakPolarHBondContact O-CB 3.27Å; K78-A82 PolarHBondContact O-N 2.78Å |
| 79 | S | 84.6 | Confident | 83.8 | Confident | 85 Ų | 85 | 121.3 Ų | 121.3 | 59% | 0.594 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.7 | -38.2 | 175.8 | -63.1 | 0 | 0 | 0 | 0 | 113 | E75 K76 R77 R83 | E75-S79 PolarHBondContact O-N 3.26Å; E75-S79 PolarHBondContact O-OG 2.97Å; E75-S79 VanDerWaalsContact O-OG 3.06Å; K76-S79 PolarHBondContact O-N 3.41Å; R77-S79 VanDerWaalsContact C-N 3.33Å; R77-S79 PolarHBondContact O-N 2.84Å; S79-R83 PolarHBondContact O-N 2.93Å |
| 80 | L | 85.9 | Confident | 84.2 | Confident | 105 Ų | 105 | 116.8 Ų | 116.8 | 55% | 0.55 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.5 | -39.5 | 175.7 | -79.8 | 170 | 0 | 0 | 0 | 112.6 | K76 R77 K78 R83 R84 | K76-L80 PolarHBondContact O-N 3.07Å; K76-L80 VanDerWaalsContact O-N 3.11Å; R77-L80 WeakPolarHBondContact O-CB 3.32Å; R77-L80 PolarHBondContact O-N 3.24Å; R77-L80 VanDerWaalsContact O-N 3.12Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 2.88Å; L80-R83 PolarHBondContact O-N 3.41Å; L80-R84 WeakPolarHBondContact O-CG 3.29Å; L80-R84 PolarHBondContact O-N 3.32Å |
| 81 | E | 86.8 | Confident | 84.6 | Confident | 102 Ų | 102 | 116.6 Ų | 116.6 | 48% | 0.477 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 175.9 | -76.2 | 170.2 | 176.4 | 0 | 0 | 111.3 | R77 K78 R83 R84 E85 | R77-E81 PolarHBondContact O-N 3.04Å; K78-E81 PolarHBondContact O-N 3.44Å; E81-R83 VanDerWaalsContact C-N 3.26Å; E81-R83 PolarHBondContact O-N 3.32Å; E81-R84 CarbonylContact O-C 3.57Å; E81-R84 WeakPolarHBondContact O-CA 3.17Å; E81-R84 WeakPolarHBondContact O-CB 3.18Å; E81-R84 PolarHBondContact O-N 3.32Å; E81-E85 WeakPolarHBondContact O-CG 3.23Å; E81-E85 PolarHBondContact O-N 3.03Å |
| 82 | A | 84.9 | Confident | 84.9 | Confident | 47 Ų | 47 | 119 Ų | 119 | 39% | 0.388 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K78 E85 K86 | K78-A82 WeakPolarHBondContact O-CB 3.27Å; K78-A82 PolarHBondContact O-N 2.78Å; A82-E85 PolarHBondContact O-N 3.42Å; A82-K86 PolarHBondContact O-N 3.42Å; A82-K86 VanDerWaalsContact O-N 3.11Å |
| 83 | R | 85.4 | Confident | 85.2 | Confident | 180 Ų | 180 | 119.1 Ų | 119.1 | 68% | 0.679 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68 | -40.3 | 174.7 | -169.4 | 175.3 | -179.3 | 177.3 | 0.3 | 112.2 | S79 L80 E81 E85 K86 L87 | S79-R83 PolarHBondContact O-N 2.93Å; L80-R83 PolarHBondContact O-N 3.41Å; E81-R83 VanDerWaalsContact C-N 3.26Å; E81-R83 PolarHBondContact O-N 3.32Å; R83-E85 VanDerWaalsContact C-N 3.3Å; R83-E85 PolarHBondContact O-N 2.93Å; R83-K86 PolarHBondContact O-N 2.88Å; R83-L87 PolarHBondContact O-N 2.92Å; R83-L87 VanDerWaalsContact O-N 3.12Å |
| 84 | R | 87.6 | Confident | 85.4 | Confident | 166 Ų | 166 | 118.5 Ų | 118.5 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65 | -33.6 | 174.8 | -74.5 | 173.9 | 172.1 | 179.9 | -3.4 | 112.3 | L80 E81 R88 | L80-R84 WeakPolarHBondContact O-CG 3.29Å; L80-R84 PolarHBondContact O-N 3.32Å; E81-R84 CarbonylContact O-C 3.57Å; E81-R84 WeakPolarHBondContact O-CA 3.17Å; E81-R84 WeakPolarHBondContact O-CB 3.18Å; E81-R84 PolarHBondContact O-N 3.32Å; R84-R88 WeakPolarHBondContact O-CG 3.26Å; R84-R88 PolarHBondContact O-N 3.48Å; R84-R88 PolarHBondContact O-NE 2.88Å |
| 85 | E | 85.3 | Confident | 85.4 | Confident | 102 Ų | 102 | 119.5 Ų | 119.5 | 48% | 0.477 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.7 | -44.4 | 175.5 | -74.9 | 177.2 | 171.9 | 0 | 0 | 111.9 | E81 A82 R83 L87 R88 Q89 | E81-E85 WeakPolarHBondContact O-CG 3.23Å; E81-E85 PolarHBondContact O-N 3.03Å; A82-E85 PolarHBondContact O-N 3.42Å; R83-E85 VanDerWaalsContact C-N 3.3Å; R83-E85 PolarHBondContact O-N 2.93Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3.28Å; E85-R88 WeakPolarHBondContact O-CB 3.39Å; E85-R88 PolarHBondContact O-N 3.27Å; E85-R88 VanDerWaalsContact O-N 3.14Å; E85-Q89 WeakPolarHBondContact O-CG 3.48Å; E85-Q89 PolarHBondContact O-N 3.48Å |
| 86 | K | 86.9 | Confident | 85.4 | Confident | 148 Ų | 148 | 120.1 Ų | 120.1 | 64% | 0.643 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -58.8 | -42.8 | 173.5 | -75.5 | -176.8 | 178.9 | -176.7 | 0 | 112.6 | A82 R83 Q89 L90 | A82-K86 PolarHBondContact O-N 3.42Å; A82-K86 VanDerWaalsContact O-N 3.11Å; R83-K86 PolarHBondContact O-N 2.88Å; K86-Q89 WeakPolarHBondContact O-CB 3.42Å; K86-Q89 PolarHBondContact O-N 2.85Å; K86-L90 PolarHBondContact O-N 2.9Å; K86-L90 VanDerWaalsContact O-N 3.11Å |
| 87 | L | 86.7 | Confident | 85.5 | Confident | 98 Ų | 98 | 118 Ų | 118 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 174.8 | -80.9 | 165.7 | 0 | 0 | 0 | 112.1 | R83 E85 Q89 L90 M91 | R83-L87 PolarHBondContact O-N 2.92Å; R83-L87 VanDerWaalsContact O-N 3.12Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3.28Å; L87-Q89 VanDerWaalsContact C-N 3.27Å; L87-Q89 PolarHBondContact O-N 3.33Å; L87-L90 PolarHBondContact O-N 3.48Å; L87-M91 WeakPolarHBondContact O-CG 3.48Å; L87-M91 PolarHBondContact O-N 3.39Å |
| 88 | R | 85.8 | Confident | 85.5 | Confident | 127 Ų | 127 | 114.7 Ų | 114.7 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62 | -34.6 | 174.7 | -81.8 | -178.7 | -88 | 149.5 | -8.9 | 112.5 | R84 E85 R92 | R84-R88 WeakPolarHBondContact O-CG 3.26Å; R84-R88 PolarHBondContact O-N 3.48Å; R84-R88 PolarHBondContact O-NE 2.88Å; E85-R88 WeakPolarHBondContact O-CB 3.39Å; E85-R88 PolarHBondContact O-N 3.27Å; E85-R88 VanDerWaalsContact O-N 3.14Å; R88-R92 WeakPolarHBondContact O-CG 3.3Å; R88-R92 PolarHBondContact O-N 3.23Å |
| 89 | Q | 85.5 | Confident | 85.4 | Confident | 111 Ų | 111 | 110.4 Ų | 110.4 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -50.6 | 175.4 | -73.3 | 171.7 | -22 | 0 | 0 | 111.3 | E85 K86 L87 M91 R92 E93 | E85-Q89 WeakPolarHBondContact O-CG 3.48Å; E85-Q89 PolarHBondContact O-N 3.48Å; K86-Q89 WeakPolarHBondContact O-CB 3.42Å; K86-Q89 PolarHBondContact O-N 2.85Å; L87-Q89 VanDerWaalsContact C-N 3.27Å; L87-Q89 PolarHBondContact O-N 3.33Å; Q89-M91 VanDerWaalsContact C-N 3.32Å; Q89-M91 PolarHBondContact O-N 2.95Å; Q89-R92 WeakPolarHBondContact O-CB 3.28Å; Q89-R92 PolarHBondContact O-N 2.98Å; Q89-E93 WeakPolarHBondContact O-CG 3.36Å; Q89-E93 PolarHBondContact O-N 3.42Å |
| 90 | L | 87.2 | Confident | 85.1 | Confident | 96 Ų | 96 | 113.9 Ų | 113.9 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58 | -42.9 | 177.8 | -71.8 | 170.7 | 0 | 0 | 0 | 112.4 | K86 L87 R92 E93 E94 | K86-L90 PolarHBondContact O-N 2.9Å; K86-L90 VanDerWaalsContact O-N 3.11Å; L87-L90 PolarHBondContact O-N 3.48Å; L90-R92 VanDerWaalsContact C-N 3.28Å; L90-R92 PolarHBondContact O-N 3.32Å; L90-E93 PolarHBondContact O-N 3.46Å; L90-E94 WeakPolarHBondContact O-CG 3.48Å; L90-E94 PolarHBondContact O-N 3.19Å |
| 91 | M | 88.1 | Confident | 84.9 | Confident | 101 Ų | 101 | 114.3 Ų | 114.3 | 50% | 0.498 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64 | -32.1 | 176.9 | -67.5 | -60.1 | -54.9 | 0 | 0 | 113.1 | L87 Q89 Q95 | L87-M91 WeakPolarHBondContact O-CG 3.48Å; L87-M91 PolarHBondContact O-N 3.39Å; Q89-M91 VanDerWaalsContact C-N 3.32Å; Q89-M91 PolarHBondContact O-N 2.95Å; M91-Q95 WeakPolarHBondContact O-CB 3.29Å; M91-Q95 VanDerWaalsContact O-CG 3.23Å; M91-Q95 WeakPolarHBondContact O-CG 3.4Å; M91-Q95 PolarHBondContact O-N 3.1Å; M91-Q95 VanDerWaalsContact O-N 3.09Å |
| 92 | R | 86.3 | Confident | 84.5 | Confident | 159 Ų | 159 | 114.5 Ų | 114.5 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.7 | -42.3 | 175.1 | -76.1 | 173.7 | -179.2 | 176 | -1.5 | 111.1 | R88 Q89 L90 E94 Q95 D96 | R88-R92 WeakPolarHBondContact O-CG 3.3Å; R88-R92 PolarHBondContact O-N 3.23Å; Q89-R92 WeakPolarHBondContact O-CB 3.28Å; Q89-R92 PolarHBondContact O-N 2.98Å; L90-R92 VanDerWaalsContact C-N 3.28Å; L90-R92 PolarHBondContact O-N 3.32Å; R92-E94 VanDerWaalsContact C-N 3.32Å; R92-E94 PolarHBondContact O-N 2.99Å; R92-Q95 WeakPolarHBondContact O-CB 3.37Å; R92-Q95 PolarHBondContact O-N 3.44Å; R92-D96 VanDerWaalsContact O-CG 3.3Å; R92-D96 PolarHBondContact O-N 3.19Å |
| 93 | E | 86.1 | Confident | 83.9 | Confident | 111 Ų | 111 | 118 Ų | 118 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.2 | -69.3 | 169.7 | -175 | 0 | 0 | 111.3 | Q89 L90 D96 L97 | Q89-E93 WeakPolarHBondContact O-CG 3.36Å; Q89-E93 PolarHBondContact O-N 3.42Å; L90-E93 PolarHBondContact O-N 3.46Å; E93-D96 PolarHBondContact O-N 3.26Å; E93-L97 WeakPolarHBondContact O-CG 3.44Å; E93-L97 PolarHBondContact O-N 2.9Å |
| 94 | E | 85.3 | Confident | 83.3 | Confident | 109 Ų | 109 | 116 Ų | 116 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 173.4 | -72.4 | 178.9 | 176.1 | 0 | 0 | 112.5 | L90 R92 L97 L98 | L90-E94 WeakPolarHBondContact O-CG 3.48Å; L90-E94 PolarHBondContact O-N 3.19Å; R92-E94 VanDerWaalsContact C-N 3.32Å; R92-E94 PolarHBondContact O-N 2.99Å; E94-L97 PolarHBondContact O-N 3.43Å; E94-L98 WeakPolarHBondContact O-CG 3.46Å; E94-L98 PolarHBondContact O-N 3.14Å; E94-L98 VanDerWaalsContact O-N 3.1Å |
| 95 | Q | 82.3 | Confident | 82.7 | Confident | 122 Ų | 122 | 113.5 Ų | 113.5 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 175.4 | -77.3 | 173.4 | 0.6 | 0 | 0 | 112.2 | M91 R92 L98 A99 | M91-Q95 WeakPolarHBondContact O-CB 3.29Å; M91-Q95 VanDerWaalsContact O-CG 3.23Å; M91-Q95 WeakPolarHBondContact O-CG 3.4Å; M91-Q95 PolarHBondContact O-N 3.1Å; M91-Q95 VanDerWaalsContact O-N 3.09Å; R92-Q95 WeakPolarHBondContact O-CB 3.37Å; R92-Q95 PolarHBondContact O-N 3.44Å; Q95-L98 PolarHBondContact O-N 3.35Å; Q95-A99 WeakPolarHBondContact O-CB 3.43Å; Q95-A99 PolarHBondContact O-N 2.85Å |
| 96 | D | 83.8 | Confident | 81.8 | Confident | 97 Ų | 97 | 117 Ų | 117 | 52% | 0.519 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -37.2 | 179.7 | -71.5 | -20.5 | 0 | 0 | 0 | 111.8 | R92 E93 R100 | R92-D96 VanDerWaalsContact O-CG 3.3Å; R92-D96 PolarHBondContact O-N 3.19Å; E93-D96 PolarHBondContact O-N 3.26Å; D96-R100 WeakPolarHBondContact O-CG 3.38Å; D96-R100 PolarHBondContact O-N 3.21Å |
| 97 | L | 84.1 | Confident | 80.8 | Confident | 101 Ų | 101 | 115.5 Ų | 115.5 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -48 | 174.8 | -73.2 | 171.1 | 0 | 0 | 0 | 111.7 | E93 E94 A99 R100 E101 | E93-L97 WeakPolarHBondContact O-CG 3.44Å; E93-L97 PolarHBondContact O-N 2.9Å; E94-L97 PolarHBondContact O-N 3.43Å; L97-A99 VanDerWaalsContact C-N 3.29Å; L97-A99 PolarHBondContact O-N 2.79Å; L97-R100 PolarHBondContact O-N 3.35Å; L97-R100 VanDerWaalsContact O-N 3.17Å; L97-E101 PolarHBondContact O-N 2.9Å; L97-E101 VanDerWaalsContact O-N 3.11Å |
| 98 | L | 82.8 | Confident | 79.9 | Confident | 104 Ų | 104 | 113.8 Ų | 113.8 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -35.5 | 177.6 | -70.7 | 169.5 | 0 | 0 | 0 | 112.3 | E94 Q95 E101 L102 | E94-L98 WeakPolarHBondContact O-CG 3.46Å; E94-L98 PolarHBondContact O-N 3.14Å; E94-L98 VanDerWaalsContact O-N 3.1Å; Q95-L98 PolarHBondContact O-N 3.35Å; L98-E101 PolarHBondContact O-N 3.24Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 3.43Å; L98-L102 VanDerWaalsContact O-N 3.11Å |
| 99 | A | 81.1 | Confident | 79 | Confident | 48 Ų | 48 | 112.2 Ų | 112.2 | 40% | 0.397 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q95 L97 L102 E103 | Q95-A99 WeakPolarHBondContact O-CB 3.43Å; Q95-A99 PolarHBondContact O-N 2.85Å; L97-A99 VanDerWaalsContact C-N 3.29Å; L97-A99 PolarHBondContact O-N 2.79Å; A99-L102 PolarHBondContact O-N 2.93Å; A99-E103 PolarHBondContact O-N 2.94Å; A99-E103 VanDerWaalsContact O-N 3.12Å |
| 100 | R | 79.3 | Confident | 78.3 | Confident | 158 Ų | 158 | 110.8 Ų | 110.8 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 176.5 | -70.1 | 174.1 | -174.6 | 173.7 | 4.9 | 112.1 | D96 L97 L102 E103 E104 | D96-R100 WeakPolarHBondContact O-CG 3.38Å; D96-R100 PolarHBondContact O-N 3.21Å; L97-R100 PolarHBondContact O-N 3.35Å; L97-R100 VanDerWaalsContact O-N 3.17Å; R100-L102 VanDerWaalsContact C-N 3.27Å; R100-L102 PolarHBondContact O-N 2.84Å; R100-E103 PolarHBondContact O-N 2.9Å; R100-E103 VanDerWaalsContact O-N 3.13Å; R100-E104 PolarHBondContact O-N 3.33Å |
| 101 | E | 81.4 | Confident | 77.5 | Confident | 114 Ų | 114 | 111 Ų | 111 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 176.3 | -69.4 | 179.1 | 175.1 | 0 | 0 | 111.9 | L97 L98 E104 L105 | L97-E101 PolarHBondContact O-N 2.9Å; L97-E101 VanDerWaalsContact O-N 3.11Å; L98-E101 PolarHBondContact O-N 3.24Å; E101-E104 PolarHBondContact O-N 3.44Å; E101-L105 WeakPolarHBondContact O-CG 3.4Å; E101-L105 PolarHBondContact O-N 3.48Å; E101-L105 VanDerWaalsContact O-N 3.08Å |
| 102 | L | 77.7 | Confident | 76.7 | Confident | 106 Ų | 106 | 111.5 Ų | 111.5 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.4 | -35.8 | 175.4 | -71.7 | 171.8 | 0 | 0 | 0 | 113.1 | L98 A99 R100 R106 | L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 3.43Å; L98-L102 VanDerWaalsContact O-N 3.11Å; A99-L102 PolarHBondContact O-N 2.93Å; R100-L102 VanDerWaalsContact C-N 3.27Å; R100-L102 PolarHBondContact O-N 2.84Å; L102-R106 WeakPolarHBondContact O-CG 3.4Å; L102-R106 PolarHBondContact O-N 3.17Å |
| 103 | E | 74.1 | Confident | 76.2 | Confident | 121 Ų | 121 | 107.7 Ų | 107.7 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69 | -40.9 | 175.7 | -73.1 | -174.8 | 168.9 | 0 | 0 | 112.2 | A99 R100 R106 L107 | A99-E103 PolarHBondContact O-N 2.94Å; A99-E103 VanDerWaalsContact O-N 3.12Å; R100-E103 PolarHBondContact O-N 2.9Å; R100-E103 VanDerWaalsContact O-N 3.13Å; E103-R106 PolarHBondContact O-N 3.25Å; E103-L107 PolarHBondContact O-N 3.47Å |
| 104 | E | 72.8 | Confident | 75.6 | Confident | 137 Ų | 137 | 110.6 Ų | 110.6 | 64% | 0.64 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.2 | -43.2 | 174.7 | -71.1 | -178.9 | 179.1 | 0 | 0 | 111.8 | R100 E101 R106 L107 S108 | R100-E104 PolarHBondContact O-N 3.33Å; E101-E104 PolarHBondContact O-N 3.44Å; E104-R106 PolarHBondContact O-N 3.42Å; E104-L107 PolarHBondContact O-N 2.94Å; E104-S108 PolarHBondContact O-N 2.93Å |
| 105 | L | 73.9 | Confident | 75.2 | Confident | 113 Ų | 113 | 113.2 Ų | 113.2 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | 174.3 | -72.5 | 172.5 | 0 | 0 | 0 | 111.9 | E101 L107 S108 M109 | E101-L105 WeakPolarHBondContact O-CG 3.4Å; E101-L105 PolarHBondContact O-N 3.48Å; E101-L105 VanDerWaalsContact O-N 3.08Å; L105-L107 PolarHBondContact O-N 2.86Å; L105-S108 PolarHBondContact O-N 3.23Å; L105-S108 PolarHBondContact O-OG 2.92Å; L105-M109 PolarHBondContact O-N 3.12Å |
| 106 | R | 67.5 | Low | 75 | Confident | 176 Ų | 176 | 111.4 Ų | 111.4 | 66% | 0.664 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 175.3 | -77.4 | 174 | 175.9 | 174.1 | 0.6 | 112.8 | L102 E103 E104 M109 N110 | L102-R106 WeakPolarHBondContact O-CG 3.4Å; L102-R106 PolarHBondContact O-N 3.17Å; E103-R106 PolarHBondContact O-N 3.25Å; E104-R106 PolarHBondContact O-N 3.42Å; R106-M109 PolarHBondContact O-N 3.38Å; R106-N110 PolarHBondContact O-N 3.48Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-N110 PolarHBondContact O-ND2 3.02Å |
| 107 | L | 66 | Low | 74.8 | Confident | 116 Ų | 116 | 115.3 Ų | 115.3 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | 176.7 | -71.9 | 169.3 | 0 | 0 | 0 | 111.7 | E103 E104 L105 M109 N110 L111 | E103-L107 PolarHBondContact O-N 3.47Å; E104-L107 PolarHBondContact O-N 2.94Å; L105-L107 PolarHBondContact O-N 2.86Å; L107-M109 VanDerWaalsContact C-N 3.35Å; L107-M109 PolarHBondContact O-N 2.99Å; L107-N110 PolarHBondContact O-N 3.35Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.3Å |
| 108 | S | 66.9 | Low | 74.7 | Confident | 63 Ų | 63 | 116 Ų | 116 | 44% | 0.441 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 175.3 | 78.1 | 0 | 0 | 0 | 0 | 113.1 | E104 L105 L111 H112 | E104-S108 PolarHBondContact O-N 2.93Å; L105-S108 PolarHBondContact O-N 3.23Å; L105-S108 PolarHBondContact O-OG 2.92Å; S108-L111 PolarHBondContact O-N 3.03Å; S108-H112 PolarHBondContact O-N 3.47Å |
| 109 | M | 66.3 | Low | 74.5 | Confident | 94 Ų | 94 | 116.8 Ų | 116.8 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 178 | -159.5 | -148.5 | 79.5 | 0 | 0 | 111.6 | L105 R106 L107 L111 H112 E113 | L105-M109 PolarHBondContact O-N 3.12Å; R106-M109 PolarHBondContact O-N 3.38Å; L107-M109 VanDerWaalsContact C-N 3.35Å; L107-M109 PolarHBondContact O-N 2.99Å; M109-L111 VanDerWaalsContact C-N 3.3Å; M109-L111 PolarHBondContact O-N 3.43Å; M109-H112 WeakPolarHBondContact O-CB 3.43Å; M109-H112 PolarHBondContact O-N 3.15Å; M109-H112 VanDerWaalsContact O-N 3.12Å; M109-E113 HydrophobicContact CE-CG 4.19Å; M109-E113 WeakPolarHBondContact CE-OE1 3.5Å; M109-E113 PolarHBondContact O-N 3.01Å |
| 110 | N | 71.6 | Confident | 74.5 | Confident | 80 Ų | 80 | 120.5 Ų | 120.5 | 43% | 0.428 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.5 | -35.3 | 176.4 | -70.5 | -30.9 | 0 | 0 | 0 | 112.5 | R106 L107 R114 | R106-N110 PolarHBondContact O-N 3.48Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-N110 PolarHBondContact O-ND2 3.02Å; L107-N110 PolarHBondContact O-N 3.35Å; N110-R114 WeakPolarHBondContact O-CG 3.3Å; N110-R114 PolarHBondContact O-N 3.46Å |
| 111 | L | 69.9 | Low | 74.7 | Confident | 100 Ų | 100 | 114.9 Ų | 114.9 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.2 | -36.8 | 173.3 | -69 | 172 | 0 | 0 | 0 | 111.9 | L107 S108 M109 R114 R115 | L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.3Å; S108-L111 PolarHBondContact O-N 3.03Å; M109-L111 VanDerWaalsContact C-N 3.3Å; M109-L111 PolarHBondContact O-N 3.43Å; L111-R114 PolarHBondContact O-N 3.24Å; L111-R115 WeakPolarHBondContact O-CG 3.39Å; L111-R115 PolarHBondContact O-N 2.71Å; L111-R115 VanDerWaalsContact O-N 3.1Å |
| 112 | H | 72 | Confident | 74.8 | Confident | 113 Ų | 113 | 116.2 Ų | 116.2 | 52% | 0.523 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 174.7 | -173.6 | 69.6 | 0 | 0 | 0 | 111.9 | S108 M109 R114 R115 I116 | S108-H112 PolarHBondContact O-N 3.47Å; M109-H112 WeakPolarHBondContact O-CB 3.43Å; M109-H112 PolarHBondContact O-N 3.15Å; M109-H112 VanDerWaalsContact O-N 3.12Å; H112-R114 PolarHBondContact O-N 3.06Å; H112-R115 PolarHBondContact O-N 3.3Å; H112-I116 WeakPolarHBondContact NE2-CD1 3.33Å; H112-I116 WeakPolarHBondContact O-CG1 3.47Å; H112-I116 PolarHBondContact O-N 3.13Å |
| 113 | E | 74.7 | Confident | 75.2 | Confident | 79 Ų | 79 | 116.4 Ų | 116.4 | 37% | 0.369 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 175.4 | -72.8 | -169.6 | 175.6 | 0 | 0 | 112.9 | M109 I116 R117 | M109-E113 HydrophobicContact CE-CG 4.19Å; M109-E113 WeakPolarHBondContact CE-OE1 3.5Å; M109-E113 PolarHBondContact O-N 3.01Å; E113-I116 PolarHBondContact O-N 3.12Å; E113-R117 WeakPolarHBondContact O-CG 3.32Å; E113-R117 PolarHBondContact O-N 3.01Å; E113-R117 IonicContact OE2-NH2 3.18Å |
| 114 | R | 73.9 | Confident | 75.7 | Confident | 171 Ų | 171 | 117.3 Ų | 117.3 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 175.6 | -74.5 | -177.8 | -175.9 | -177.5 | 2 | 111.7 | N110 L111 H112 I116 R117 E118 | N110-R114 WeakPolarHBondContact O-CG 3.3Å; N110-R114 PolarHBondContact O-N 3.46Å; L111-R114 PolarHBondContact O-N 3.24Å; H112-R114 PolarHBondContact O-N 3.06Å; R114-I116 VanDerWaalsContact C-N 3.35Å; R114-I116 PolarHBondContact O-N 3.36Å; R114-R117 PolarHBondContact O-N 2.9Å; R114-E118 WeakPolarHBondContact O-CG 3.31Å; R114-E118 PolarHBondContact O-N 2.9Å |
| 115 | R | 76.7 | Confident | 76.1 | Confident | 164 Ų | 164 | 113.4 Ų | 113.4 | 62% | 0.619 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.5 | -41.8 | 175.5 | -73.5 | 179.9 | -169.6 | -178.4 | 4.6 | 112.2 | L111 H112 E118 Q119 | L111-R115 WeakPolarHBondContact O-CG 3.39Å; L111-R115 PolarHBondContact O-N 2.71Å; L111-R115 VanDerWaalsContact O-N 3.1Å; H112-R115 PolarHBondContact O-N 3.3Å; R115-E118 PolarHBondContact O-N 2.96Å; R115-Q119 WeakPolarHBondContact O-CB 3.48Å; R115-Q119 VanDerWaalsContact O-CG 3.31Å; R115-Q119 WeakPolarHBondContact O-CG 3.42Å; R115-Q119 PolarHBondContact O-N 3.49Å |
| 116 | I | 79.3 | Confident | 76.7 | Confident | 84 Ų | 84 | 109.9 Ų | 109.9 | 43% | 0.431 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 176.2 | -69.3 | 173.6 | 0 | 0 | 0 | 110.9 | H112 E113 R114 E118 Q119 H120 | H112-I116 WeakPolarHBondContact NE2-CD1 3.33Å; H112-I116 WeakPolarHBondContact O-CG1 3.47Å; H112-I116 PolarHBondContact O-N 3.13Å; E113-I116 PolarHBondContact O-N 3.12Å; R114-I116 VanDerWaalsContact C-N 3.35Å; R114-I116 PolarHBondContact O-N 3.36Å; I116-E118 PolarHBondContact O-N 3.29Å; I116-Q119 PolarHBondContact O-N 3.46Å; I116-H120 WeakPolarHBondContact O-CB 3.5Å; I116-H120 PolarHBondContact O-N 3.39Å |
| 117 | R | 79.8 | Confident | 77.6 | Confident | 179 Ų | 179 | 109.6 Ų | 109.6 | 68% | 0.675 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -40.9 | 177.4 | -71.2 | -179.3 | -167.6 | 179.9 | 8.4 | 112.1 | E113 R114 H120 G121 | E113-R117 WeakPolarHBondContact O-CG 3.32Å; E113-R117 PolarHBondContact O-N 3.01Å; E113-R117 IonicContact OE2-NH2 3.18Å; R114-R117 PolarHBondContact O-N 2.9Å; R117-H120 PolarHBondContact O-N 2.88Å; R117-G121 PolarHBondContact O-N 3.4Å |
| 118 | E | 80.8 | Confident | 78.5 | Confident | 117 Ų | 117 | 107.9 Ų | 107.9 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 174.9 | -73.3 | 173.9 | -168.8 | 0 | 0 | 112.1 | R114 R115 I116 G121 K122 | R114-E118 WeakPolarHBondContact O-CG 3.31Å; R114-E118 PolarHBondContact O-N 2.9Å; R115-E118 PolarHBondContact O-N 2.96Å; I116-E118 PolarHBondContact O-N 3.29Å; E118-G121 PolarHBondContact O-N 3.48Å; E118-K122 WeakPolarHBondContact O-CG 3.44Å; E118-K122 PolarHBondContact O-N 3.44Å |
| 119 | Q | 79.2 | Confident | 79.5 | Confident | 120 Ų | 120 | 110.4 Ų | 110.4 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 175.3 | -75.8 | 178.8 | -9.6 | 0 | 0 | 111.9 | R115 I116 G121 K122 L123 | R115-Q119 WeakPolarHBondContact O-CB 3.48Å; R115-Q119 VanDerWaalsContact O-CG 3.31Å; R115-Q119 WeakPolarHBondContact O-CG 3.42Å; R115-Q119 PolarHBondContact O-N 3.49Å; I116-Q119 PolarHBondContact O-N 3.46Å; Q119-G121 VanDerWaalsContact C-N 3.32Å; Q119-G121 PolarHBondContact O-N 3Å; Q119-K122 PolarHBondContact O-N 2.86Å; Q119-L123 WeakPolarHBondContact O-CG 3.27Å; Q119-L123 PolarHBondContact O-N 2.88Å |
| 120 | H | 81.7 | Confident | 80.3 | Confident | 126 Ų | 126 | 111.7 Ų | 111.7 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -39.1 | 174.4 | -176 | -85.5 | 0 | 0 | 0 | 111.7 | I116 R117 L123 K124 | I116-H120 WeakPolarHBondContact O-CB 3.5Å; I116-H120 PolarHBondContact O-N 3.39Å; R117-H120 PolarHBondContact O-N 2.88Å; H120-L123 PolarHBondContact O-N 2.87Å; H120-K124 WeakPolarHBondContact O-CB 3.4Å; H120-K124 PolarHBondContact O-N 3.24Å |
| 121 | G | 82.6 | Confident | 81 | Confident | 39 Ų | 39 | 115.1 Ų | 115.1 | 40% | 0.402 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.6 | -48.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R117 E118 Q119 K124 S125 | R117-G121 PolarHBondContact O-N 3.4Å; E118-G121 PolarHBondContact O-N 3.48Å; Q119-G121 VanDerWaalsContact C-N 3.32Å; Q119-G121 PolarHBondContact O-N 3Å; G121-K124 PolarHBondContact O-N 3.39Å; G121-S125 PolarHBondContact O-N 3.34Å; G121-S125 PolarHBondContact O-OG 3.47Å |
| 122 | K | 83.4 | Confident | 81.9 | Confident | 143 Ų | 143 | 116.4 Ų | 116.4 | 62% | 0.622 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.7 | -39.7 | 177.4 | -69.8 | 174.6 | -175.7 | 179.5 | 0 | 113 | E118 Q119 K124 S125 A126 | E118-K122 WeakPolarHBondContact O-CG 3.44Å; E118-K122 PolarHBondContact O-N 3.44Å; Q119-K122 PolarHBondContact O-N 2.86Å; K122-K124 VanDerWaalsContact C-N 3.34Å; K122-S125 WeakPolarHBondContact CA-OG 3.46Å; K122-S125 PolarHBondContact O-N 3.3Å; K122-S125 PolarHBondContact O-OG 3.28Å; K122-A126 WeakPolarHBondContact O-CB 3.36Å; K122-A126 PolarHBondContact O-N 3.32Å |
| 123 | L | 86.1 | Confident | 82.8 | Confident | 110 Ų | 110 | 115.6 Ų | 115.6 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.9 | -37.4 | 175.1 | -73.5 | 171.2 | 0 | 0 | 0 | 111.7 | Q119 H120 R127 | Q119-L123 WeakPolarHBondContact O-CG 3.27Å; Q119-L123 PolarHBondContact O-N 2.88Å; H120-L123 PolarHBondContact O-N 2.87Å; L123-R127 WeakPolarHBondContact O-CB 3.4Å; L123-R127 WeakPolarHBondContact O-CG 3.48Å; L123-R127 PolarHBondContact O-N 3.3Å |
| 124 | K | 84.9 | Confident | 83.6 | Confident | 139 Ų | 139 | 116.3 Ų | 116.3 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.3 | -41.8 | 175.9 | -168.7 | 176 | 179.3 | -178 | 0 | 111.3 | H120 G121 K122 E128 | H120-K124 WeakPolarHBondContact O-CB 3.4Å; H120-K124 PolarHBondContact O-N 3.24Å; G121-K124 PolarHBondContact O-N 3.39Å; K122-K124 VanDerWaalsContact C-N 3.34Å; K124-E128 PolarHBondContact O-N 3.19Å; K124-E128 VanDerWaalsContact O-N 3.11Å |
| 125 | S | 81.5 | Confident | 84.3 | Confident | 55 Ų | 55 | 110.4 Ų | 110.4 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 175.3 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | G121 K122 R127 E128 E129 | G121-S125 PolarHBondContact O-N 3.34Å; G121-S125 PolarHBondContact O-OG 3.47Å; K122-S125 WeakPolarHBondContact CA-OG 3.46Å; K122-S125 PolarHBondContact O-N 3.3Å; K122-S125 PolarHBondContact O-OG 3.28Å; S125-R127 PolarHBondContact O-N 3.1Å; S125-E128 WeakPolarHBondContact O-CB 3.42Å; S125-E128 PolarHBondContact O-N 3.48Å; S125-E128 VanDerWaalsContact O-N 3.07Å; S125-E129 WeakPolarHBondContact O-CG 3.23Å; S125-E129 PolarHBondContact O-N 3.4Å |
| 126 | A | 86.5 | Confident | 84.8 | Confident | 40 Ų | 40 | 108.2 Ų | 108.2 | 33% | 0.331 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K122 E128 E129 Q130 | K122-A126 WeakPolarHBondContact O-CB 3.36Å; K122-A126 PolarHBondContact O-N 3.32Å; A126-E128 VanDerWaalsContact C-N 3.31Å; A126-E128 PolarHBondContact O-N 2.9Å; A126-E129 PolarHBondContact O-N 3.3Å; A126-Q130 WeakPolarHBondContact O-CG 3.38Å; A126-Q130 PolarHBondContact O-N 3.35Å |
| 127 | R | 86.4 | Confident | 85.2 | Confident | 169 Ų | 169 | 110.2 Ų | 110.2 | 64% | 0.638 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -36.7 | 172.9 | -75.5 | -179.7 | 178.9 | 179.6 | 0.7 | 112 | L123 S125 R131 | L123-R127 WeakPolarHBondContact O-CB 3.4Å; L123-R127 WeakPolarHBondContact O-CG 3.48Å; L123-R127 PolarHBondContact O-N 3.3Å; S125-R127 PolarHBondContact O-N 3.1Å; R127-R131 WeakPolarHBondContact O-CG 3.4Å; R127-R131 PolarHBondContact O-N 3.47Å |
| 128 | E | 84.4 | Confident | 85.7 | Confident | 81 Ų | 81 | 106.7 Ų | 106.7 | 38% | 0.379 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.4 | -38 | 177.2 | -142.2 | 65.1 | -176.3 | 0 | 0 | 112.3 | K124 S125 A126 R131 K132 | K124-E128 PolarHBondContact O-N 3.19Å; K124-E128 VanDerWaalsContact O-N 3.11Å; S125-E128 WeakPolarHBondContact O-CB 3.42Å; S125-E128 PolarHBondContact O-N 3.48Å; S125-E128 VanDerWaalsContact O-N 3.07Å; A126-E128 VanDerWaalsContact C-N 3.31Å; A126-E128 PolarHBondContact O-N 2.9Å; E128-R131 PolarHBondContact O-N 3.15Å; E128-R131 IonicContact OE1-NE 2.94Å; E128-R131 IonicContact OE1-NH2 3.76Å; E128-R131 IonicContact OE2-CZ 3.7Å; E128-R131 IonicContact OE2-NE 3.99Å; E128-R131 PolarHBondContact OE2-NE 3.39Å; E128-R131 IonicContact OE2-NH2 3.04Å; E128-R131 PolarHBondContact OE2-NH2 3.06Å; E128-K132 VanDerWaalsContact O-CG 3.29Å; E128-K132 WeakPolarHBondContact O-CG 3.38Å; E128-K132 PolarHBondContact O-N 3.42Å |
| 129 | E | 87 | Confident | 86 | Confident | 115 Ų | 115 | 106.8 Ų | 106.8 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 172.9 | -73.3 | 165.4 | -168.6 | 0 | 0 | 111.3 | S125 A126 R131 K132 L133 | S125-E129 WeakPolarHBondContact O-CG 3.23Å; S125-E129 PolarHBondContact O-N 3.4Å; A126-E129 PolarHBondContact O-N 3.3Å; E129-R131 PolarHBondContact O-N 3Å; E129-K132 WeakPolarHBondContact O-CB 3.39Å; E129-K132 PolarHBondContact O-N 3.13Å; E129-L133 WeakPolarHBondContact O-CG 3.29Å; E129-L133 PolarHBondContact O-N 3.43Å |
| 130 | Q | 84.6 | Confident | 86.4 | Confident | 121 Ų | 121 | 107.9 Ų | 107.9 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61 | -42.8 | 173.7 | -73.7 | -179.1 | -18 | 0 | 0 | 112.2 | A126 K132 L133 I134 | A126-Q130 WeakPolarHBondContact O-CG 3.38Å; A126-Q130 PolarHBondContact O-N 3.35Å; Q130-K132 VanDerWaalsContact C-N 3.31Å; Q130-K132 PolarHBondContact O-N 3.21Å; Q130-L133 PolarHBondContact O-N 3.49Å; Q130-I134 WeakPolarHBondContact O-CB 3.22Å; Q130-I134 VanDerWaalsContact O-CG1 3.27Å; Q130-I134 WeakPolarHBondContact O-CG1 3.46Å; Q130-I134 PolarHBondContact O-N 3.38Å |
| 131 | R | 86.3 | Confident | 86.6 | Confident | 152 Ų | 152 | 106.6 Ų | 106.6 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.4 | -40.5 | 174.5 | -79.3 | -167.2 | -85.3 | -149 | -0.6 | 112.1 | R127 E128 E129 A135 | R127-R131 WeakPolarHBondContact O-CG 3.4Å; R127-R131 PolarHBondContact O-N 3.47Å; E128-R131 PolarHBondContact O-N 3.15Å; E128-R131 IonicContact OE1-NE 2.94Å; E128-R131 IonicContact OE1-NH2 3.76Å; E128-R131 IonicContact OE2-CZ 3.7Å; E128-R131 IonicContact OE2-NE 3.99Å; E128-R131 PolarHBondContact OE2-NE 3.39Å; E128-R131 IonicContact OE2-NH2 3.04Å; E128-R131 PolarHBondContact OE2-NH2 3.06Å; E129-R131 PolarHBondContact O-N 3Å; R131-A135 VanDerWaalsContact O-CB 3.29Å; R131-A135 WeakPolarHBondContact O-CB 3.49Å; R131-A135 PolarHBondContact O-N 3.23Å |
| 132 | K | 88.4 | Confident | 86.8 | Confident | 128 Ų | 128 | 110.4 Ų | 110.4 | 56% | 0.557 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.6 | -46.4 | 175.4 | -73.1 | 173.1 | -177.9 | -177 | 0 | 111.9 | E128 E129 Q130 I134 A135 E136 | E128-K132 VanDerWaalsContact O-CG 3.29Å; E128-K132 WeakPolarHBondContact O-CG 3.38Å; E128-K132 PolarHBondContact O-N 3.42Å; E129-K132 WeakPolarHBondContact O-CB 3.39Å; E129-K132 PolarHBondContact O-N 3.13Å; Q130-K132 VanDerWaalsContact C-N 3.31Å; Q130-K132 PolarHBondContact O-N 3.21Å; K132-I134 VanDerWaalsContact C-N 3.34Å; K132-I134 PolarHBondContact O-N 2.9Å; K132-A135 WeakPolarHBondContact O-CB 3.36Å; K132-A135 PolarHBondContact O-N 2.87Å; K132-E136 WeakPolarHBondContact O-CB 3.35Å; K132-E136 VanDerWaalsContact O-CG 3.3Å; K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 3.21Å |
| 133 | L | 91.1 | Very high | 87 | Confident | 96 Ų | 96 | 109.9 Ų | 109.9 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 177.2 | -71 | 170.7 | 0 | 0 | 0 | 112.2 | E129 Q130 E136 Q137 | E129-L133 WeakPolarHBondContact O-CG 3.29Å; E129-L133 PolarHBondContact O-N 3.43Å; Q130-L133 PolarHBondContact O-N 3.49Å; L133-E136 PolarHBondContact O-N 2.87Å; L133-Q137 WeakPolarHBondContact O-CB 3.43Å; L133-Q137 VanDerWaalsContact O-CG 3.31Å; L133-Q137 WeakPolarHBondContact O-CG 3.3Å; L133-Q137 PolarHBondContact O-N 3.08Å |
| 134 | I | 90.8 | Very high | 87 | Confident | 93 Ų | 93 | 109.1 Ų | 109.1 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 176.3 | -67.2 | 166.1 | 0 | 0 | 0 | 110.2 | Q130 K132 E136 Q137 L138 | Q130-I134 WeakPolarHBondContact O-CB 3.22Å; Q130-I134 VanDerWaalsContact O-CG1 3.27Å; Q130-I134 WeakPolarHBondContact O-CG1 3.46Å; Q130-I134 PolarHBondContact O-N 3.38Å; K132-I134 VanDerWaalsContact C-N 3.34Å; K132-I134 PolarHBondContact O-N 2.9Å; I134-E136 VanDerWaalsContact C-N 3.34Å; I134-E136 PolarHBondContact O-N 3.4Å; I134-Q137 PolarHBondContact O-N 2.88Å; I134-L138 HydrophobicContact CG2-CD1 3.89Å; I134-L138 HydrophobicContact CG2-CG 4.34Å; I134-L138 WeakPolarHBondContact O-CB 3.38Å; I134-L138 VanDerWaalsContact O-CG 3.3Å; I134-L138 WeakPolarHBondContact O-CG 3.5Å; I134-L138 PolarHBondContact O-N 3.34Å |
| 135 | A | 88.5 | Confident | 86.9 | Confident | 47 Ų | 47 | 108.7 Ų | 108.7 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R131 K132 L138 L139 | R131-A135 VanDerWaalsContact O-CB 3.29Å; R131-A135 WeakPolarHBondContact O-CB 3.49Å; R131-A135 PolarHBondContact O-N 3.23Å; K132-A135 WeakPolarHBondContact O-CB 3.36Å; K132-A135 PolarHBondContact O-N 2.87Å; A135-L138 PolarHBondContact O-N 2.85Å; A135-L139 VanDerWaalsContact O-CB 3.27Å; A135-L139 WeakPolarHBondContact O-CB 3.38Å; A135-L139 WeakPolarHBondContact O-CD1 3.44Å; A135-L139 WeakPolarHBondContact O-CG 3.4Å; A135-L139 PolarHBondContact O-N 3.11Å |
| 136 | E | 88 | Confident | 87 | Confident | 119 Ų | 119 | 110 Ų | 110 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 175.7 | -74.4 | 169.6 | -169.5 | 0 | 0 | 111.9 | K132 L133 I134 L139 Y140 | K132-E136 WeakPolarHBondContact O-CB 3.35Å; K132-E136 VanDerWaalsContact O-CG 3.3Å; K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 3.21Å; L133-E136 PolarHBondContact O-N 2.87Å; I134-E136 VanDerWaalsContact C-N 3.34Å; I134-E136 PolarHBondContact O-N 3.4Å; E136-L139 PolarHBondContact O-N 3.49Å; E136-Y140 VanDerWaalsContact O-CB 3.28Å; E136-Y140 WeakPolarHBondContact O-CB 3.37Å; E136-Y140 PolarHBondContact O-N 2.97Å |
| 137 | Q | 88.2 | Confident | 86.9 | Confident | 126 Ų | 126 | 109.6 Ų | 109.6 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -46.1 | 175.3 | -75 | 175.4 | -3.8 | 0 | 0 | 112 | L133 I134 L139 Y140 E141 | L133-Q137 WeakPolarHBondContact O-CB 3.43Å; L133-Q137 VanDerWaalsContact O-CG 3.31Å; L133-Q137 WeakPolarHBondContact O-CG 3.3Å; L133-Q137 PolarHBondContact O-N 3.08Å; I134-Q137 PolarHBondContact O-N 2.88Å; Q137-L139 VanDerWaalsContact C-N 3.35Å; Q137-L139 PolarHBondContact O-N 3.36Å; Q137-Y140 WeakPolarHBondContact O-CB 3.43Å; Q137-Y140 PolarHBondContact O-N 3.44Å; Q137-E141 WeakPolarHBondContact O-CG 3.41Å; Q137-E141 PolarHBondContact O-N 3.47Å |
| 138 | L | 90.1 | Very high | 86.9 | Confident | 105 Ų | 105 | 105.5 Ų | 105.5 | 55% | 0.55 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 177.9 | -71.1 | 173.3 | 0 | 0 | 0 | 111.6 | I134 A135 Y140 E141 H142 | I134-L138 HydrophobicContact CG2-CD1 3.89Å; I134-L138 HydrophobicContact CG2-CG 4.34Å; I134-L138 WeakPolarHBondContact O-CB 3.38Å; I134-L138 VanDerWaalsContact O-CG 3.3Å; I134-L138 WeakPolarHBondContact O-CG 3.5Å; I134-L138 PolarHBondContact O-N 3.34Å; A135-L138 PolarHBondContact O-N 2.85Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; L138-E141 PolarHBondContact O-N 3.11Å; L138-H142 WeakPolarHBondContact O-CB 3.31Å; L138-H142 PolarHBondContact O-N 3.17Å |
| 139 | L | 86.6 | Confident | 87 | Confident | 118 Ų | 118 | 108.8 Ų | 108.8 | 62% | 0.618 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 173 | -76.6 | 168.3 | 0 | 0 | 0 | 111.4 | A135 E136 Q137 H142 W143 | A135-L139 VanDerWaalsContact O-CB 3.27Å; A135-L139 WeakPolarHBondContact O-CB 3.38Å; A135-L139 WeakPolarHBondContact O-CD1 3.44Å; A135-L139 WeakPolarHBondContact O-CG 3.4Å; A135-L139 PolarHBondContact O-N 3.11Å; E136-L139 PolarHBondContact O-N 3.49Å; Q137-L139 VanDerWaalsContact C-N 3.35Å; Q137-L139 PolarHBondContact O-N 3.36Å; L139-H142 PolarHBondContact O-N 3.21Å; L139-W143 VanDerWaalsContact O-CB 3.29Å; L139-W143 WeakPolarHBondContact O-CB 3.45Å; L139-W143 PolarHBondContact O-N 3.1Å |
| 140 | Y | 87.3 | Confident | 86.9 | Confident | 144 Ų | 144 | 105.9 Ų | 105.9 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.7 | -45.1 | 176.5 | 178.1 | -104.3 | 0 | 0 | 0 | 112.3 | E136 Q137 L138 W143 K144 | E136-Y140 VanDerWaalsContact O-CB 3.28Å; E136-Y140 WeakPolarHBondContact O-CB 3.37Å; E136-Y140 PolarHBondContact O-N 2.97Å; Q137-Y140 WeakPolarHBondContact O-CB 3.43Å; Q137-Y140 PolarHBondContact O-N 3.44Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; Y140-W143 AromaticContact CD2-CE3 4Å; Y140-W143 HydrophobicContact CD2-CE3 4Å; Y140-W143 HydrophobicContact CD2-CZ3 4.28Å; Y140-W143 AromaticContact CE2-CE3 3.93Å; Y140-W143 HydrophobicContact CE2-CE3 3.93Å; Y140-W143 AromaticContact CE2-CZ3 3.75Å; Y140-W143 HydrophobicContact CE2-CZ3 3.75Å; Y140-W143 PolarHBondContact O-N 3.05Å; Y140-K144 WeakPolarHBondContact O-CB 3.47Å; Y140-K144 PolarHBondContact O-N 2.87Å |
| 141 | E | 85.6 | Confident | 86.9 | Confident | 98 Ų | 98 | 106.1 Ų | 106.1 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 175 | -74.2 | -165.4 | 178.6 | 0 | 0 | 112.2 | Q137 L138 W143 K144 K145 | Q137-E141 WeakPolarHBondContact O-CG 3.41Å; Q137-E141 PolarHBondContact O-N 3.47Å; L138-E141 PolarHBondContact O-N 3.11Å; E141-W143 VanDerWaalsContact C-N 3.35Å; E141-K144 PolarHBondContact O-N 3.24Å; E141-K145 WeakPolarHBondContact O-CB 3.26Å; E141-K145 WeakPolarHBondContact O-CG 3.49Å; E141-K145 PolarHBondContact O-N 2.99Å; E141-K145 IonicContact OE2-NZ 3.94Å |
| 142 | H | 86.4 | Confident | 87 | Confident | 119 Ų | 119 | 104.4 Ų | 104.4 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 176 | -178.1 | -96.9 | 0 | 0 | 0 | 111.1 | L138 L139 N146 | L138-H142 WeakPolarHBondContact O-CB 3.31Å; L138-H142 PolarHBondContact O-N 3.17Å; L139-H142 PolarHBondContact O-N 3.21Å; H142-N146 PolarHBondContact CD2-ND2 3.35Å; H142-N146 PolarHBondContact CE1-ND2 3.01Å; H142-N146 PolarHBondContact NE2-ND2 3.38Å; H142-N146 VanDerWaalsContact O-CB 3.27Å; H142-N146 WeakPolarHBondContact O-CB 3.3Å; H142-N146 PolarHBondContact O-N 3.44Å; H142-N146 PolarHBondContact O-ND2 3.18Å |
| 143 | W | 88.3 | Confident | 86.9 | Confident | 132 Ų | 132 | 101.9 Ų | 101.9 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 172.4 | 172.5 | 79.2 | 0 | 0 | 0 | 111.7 | L139 Y140 E141 K145 N146 N147 L150 | L139-W143 VanDerWaalsContact O-CB 3.29Å; L139-W143 WeakPolarHBondContact O-CB 3.45Å; L139-W143 PolarHBondContact O-N 3.1Å; Y140-W143 AromaticContact CD2-CE3 4Å; Y140-W143 HydrophobicContact CD2-CE3 4Å; Y140-W143 HydrophobicContact CD2-CZ3 4.28Å; Y140-W143 AromaticContact CE2-CE3 3.93Å; Y140-W143 HydrophobicContact CE2-CE3 3.93Å; Y140-W143 AromaticContact CE2-CZ3 3.75Å; Y140-W143 HydrophobicContact CE2-CZ3 3.75Å; Y140-W143 PolarHBondContact O-N 3.05Å; E141-W143 VanDerWaalsContact C-N 3.35Å; W143-K145 VanDerWaalsContact C-N 3.35Å; W143-K145 PolarHBondContact O-N 3.42Å; W143-N146 PolarHBondContact O-N 3.37Å; W143-N147 VanDerWaalsContact CZ2-ND2 3.32Å; W143-N147 WeakPolarHBondContact CZ2-ND2 3.31Å; W143-N147 WeakPolarHBondContact O-CB 3.45Å; W143-N147 PolarHBondContact O-N 3.4Å; W143-L150 HydrophobicContact CE3-CD1 4.43Å; W143-L150 HydrophobicContact CH2-CD1 4.05Å; W143-L150 HydrophobicContact CZ3-CD1 3.96Å |
| 144 | K | 86.7 | Confident | 86.6 | Confident | 95 Ų | 95 | 102.1 Ų | 102.1 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.8 | -47.7 | 177.6 | -179 | 179.9 | 178.2 | -173.6 | 0 | 111.5 | Y140 E141 L150 | Y140-K144 WeakPolarHBondContact O-CB 3.47Å; Y140-K144 PolarHBondContact O-N 2.87Å; E141-K144 PolarHBondContact O-N 3.24Å; K144-L150 HydrophobicContact CB-CD1 4.4Å; K144-L150 HydrophobicContact CG-CD1 4.11Å |
| 145 | K | 81.5 | Confident | 86.4 | Confident | 130 Ų | 130 | 102.5 Ų | 102.5 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.3 | -32.2 | -179.6 | -72.9 | 171.8 | -178.5 | 164.9 | 0 | 112.8 | E141 W143 R151 | E141-K145 WeakPolarHBondContact O-CB 3.26Å; E141-K145 WeakPolarHBondContact O-CG 3.49Å; E141-K145 PolarHBondContact O-N 2.99Å; E141-K145 IonicContact OE2-NZ 3.94Å; W143-K145 VanDerWaalsContact C-N 3.35Å; W143-K145 PolarHBondContact O-N 3.42Å; K145-R151 PolarHBondContact O-NE 3.19Å; K145-R151 PolarHBondContact O-NH2 2.81Å |
| 146 | N | 83.6 | Confident | 86.4 | Confident | 81 Ų | 81 | 104 Ų | 104 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -98.5 | -11.5 | -175 | -69.4 | -23.3 | 0 | 0 | 0 | 114.6 | H142 W143 P148 R151 | H142-N146 PolarHBondContact CD2-ND2 3.35Å; H142-N146 PolarHBondContact CE1-ND2 3.01Å; H142-N146 PolarHBondContact NE2-ND2 3.38Å; H142-N146 VanDerWaalsContact O-CB 3.27Å; H142-N146 WeakPolarHBondContact O-CB 3.3Å; H142-N146 PolarHBondContact O-N 3.44Å; H142-N146 PolarHBondContact O-ND2 3.18Å; W143-N146 PolarHBondContact O-N 3.37Å; N146-P148 WeakPolarHBondContact O-CD 3.5Å; N146-R151 PolarHBondContact OD1-NH2 3.17Å |
| 147 | N | 86.2 | Confident | 86.5 | Confident | 32 Ų | 32 | 103.3 Ų | 103.3 | 17% | 0.171 | 49% | 0.492 | C | S | . | . | trans | -73.6 | 116 | 177.7 | -171.7 | -22.5 | 0 | 0 | 0 | 110.3 | W143 K149 L150 R151 | W143-N147 VanDerWaalsContact CZ2-ND2 3.32Å; W143-N147 WeakPolarHBondContact CZ2-ND2 3.31Å; W143-N147 WeakPolarHBondContact O-CB 3.45Å; W143-N147 PolarHBondContact O-N 3.4Å; N147-K149 VanDerWaalsContact C-N 3.26Å; N147-K149 PolarHBondContact O-N 3.14Å; N147-K149 PolarHBondContact OD1-N 2.95Å; N147-L150 HydrophobicContact CB-CB 4.45Å; N147-L150 HydrophobicContact CB-CD1 4.13Å; N147-L150 HydrophobicContact CB-CG 4.37Å; N147-L150 PolarHBondContact O-N 2.92Å; N147-R151 PolarHBondContact O-N 3.19Å | ||
| 148 | P | 86.3 | Confident | 86.5 | Confident | 83 Ų | 83 | 102.9 Ų | 102.9 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.6 | -35.1 | -176.3 | 23.8 | -33.6 | 0 | 0 | 0 | 112.6 | N146 L150 R151 E152 | N146-P148 WeakPolarHBondContact O-CD 3.5Å; P148-L150 VanDerWaalsContact C-N 3.31Å; P148-L150 PolarHBondContact O-N 3.45Å; P148-R151 PolarHBondContact O-N 2.97Å; P148-E152 WeakPolarHBondContact O-CG 3.37Å; P148-E152 PolarHBondContact O-N 3.43Å |
| 149 | K | 85.9 | Confident | 86.5 | Confident | 151 Ų | 151 | 103.4 Ų | 103.4 | 66% | 0.657 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.4 | -33.9 | -179.9 | -64.5 | -175.5 | 176.4 | -176.4 | 0 | 112.9 | N147 V153 | N147-K149 VanDerWaalsContact C-N 3.26Å; N147-K149 PolarHBondContact O-N 3.14Å; N147-K149 PolarHBondContact OD1-N 2.95Å; K149-V153 VanDerWaalsContact O-CG2 3.3Å; K149-V153 WeakPolarHBondContact O-CG2 3.25Å; K149-V153 PolarHBondContact O-N 3.27Å; K149-V153 VanDerWaalsContact O-N 3.14Å |
| 150 | L | 84.3 | Confident | 86.6 | Confident | 54 Ų | 54 | 103.8 Ų | 103.8 | 28% | 0.283 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.8 | -33.7 | 177.8 | -70.4 | 173.1 | 0 | 0 | 0 | 111.5 | W143 K144 N147 P148 V153 E154 | W143-L150 HydrophobicContact CE3-CD1 4.43Å; W143-L150 HydrophobicContact CH2-CD1 4.05Å; W143-L150 HydrophobicContact CZ3-CD1 3.96Å; K144-L150 HydrophobicContact CB-CD1 4.4Å; K144-L150 HydrophobicContact CG-CD1 4.11Å; N147-L150 HydrophobicContact CB-CB 4.45Å; N147-L150 HydrophobicContact CB-CD1 4.13Å; N147-L150 HydrophobicContact CB-CG 4.37Å; N147-L150 PolarHBondContact O-N 2.92Å; P148-L150 VanDerWaalsContact C-N 3.31Å; P148-L150 PolarHBondContact O-N 3.45Å; L150-V153 PolarHBondContact O-N 3.3Å; L150-E154 WeakPolarHBondContact O-CG 3.37Å; L150-E154 PolarHBondContact O-N 2.98Å |
| 151 | R | 85 | Confident | 86.8 | Confident | 125 Ų | 125 | 102.9 Ų | 102.9 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 171.8 | -66.3 | -175.4 | -172.8 | -178 | 2.9 | 111.7 | K145 N146 N147 P148 V153 E154 L155 | K145-R151 PolarHBondContact O-NE 3.19Å; K145-R151 PolarHBondContact O-NH2 2.81Å; N146-R151 PolarHBondContact OD1-NH2 3.17Å; N147-R151 PolarHBondContact O-N 3.19Å; P148-R151 PolarHBondContact O-N 2.97Å; R151-V153 VanDerWaalsContact C-N 3.34Å; R151-E154 PolarHBondContact O-N 2.93Å; R151-L155 WeakPolarHBondContact O-CB 3.32Å; R151-L155 VanDerWaalsContact O-CG 3.23Å; R151-L155 WeakPolarHBondContact O-CG 3.48Å; R151-L155 PolarHBondContact O-N 2.99Å |
| 152 | E | 87.3 | Confident | 87.1 | Confident | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 173.6 | -72.5 | 168.2 | -173.4 | 0 | 0 | 110.9 | P148 E154 L155 D156 | P148-E152 WeakPolarHBondContact O-CG 3.37Å; P148-E152 PolarHBondContact O-N 3.43Å; E152-E154 PolarHBondContact O-N 2.59Å; E152-L155 PolarHBondContact O-N 3.5Å; E152-D156 WeakPolarHBondContact O-CB 3.34Å; E152-D156 VanDerWaalsContact O-CG 3.28Å; E152-D156 PolarHBondContact O-N 3Å |
| 153 | V | 87.8 | Confident | 87.4 | Confident | 75 Ų | 75 | 98.9 Ų | 98.9 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | K149 L150 R151 D156 L157 | K149-V153 VanDerWaalsContact O-CG2 3.3Å; K149-V153 WeakPolarHBondContact O-CG2 3.25Å; K149-V153 PolarHBondContact O-N 3.27Å; K149-V153 VanDerWaalsContact O-N 3.14Å; L150-V153 PolarHBondContact O-N 3.3Å; R151-V153 VanDerWaalsContact C-N 3.34Å; V153-D156 PolarHBondContact O-N 3.44Å; V153-L157 HydrophobicContact CG1-CD1 4.07Å; V153-L157 HydrophobicContact CG1-CG 4.45Å; V153-L157 WeakPolarHBondContact O-CB 3.39Å; V153-L157 VanDerWaalsContact O-CG 3.26Å; V153-L157 WeakPolarHBondContact O-CG 3.36Å; V153-L157 PolarHBondContact O-N 3.33Å |
| 154 | E | 84.3 | Confident | 87.5 | Confident | 102 Ų | 102 | 97 Ų | 97 | 48% | 0.477 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 175.8 | -75.5 | 176.8 | 177.4 | 0 | 0 | 111.7 | L150 R151 E152 L157 H158 | L150-E154 WeakPolarHBondContact O-CG 3.37Å; L150-E154 PolarHBondContact O-N 2.98Å; R151-E154 PolarHBondContact O-N 2.93Å; E152-E154 PolarHBondContact O-N 2.59Å; E154-L157 PolarHBondContact O-N 3.41Å; E154-H158 WeakPolarHBondContact O-CB 3.34Å; E154-H158 PolarHBondContact O-N 2.93Å |
| 155 | L | 86.1 | Confident | 87.6 | Confident | 101 Ų | 101 | 94.8 Ų | 94.8 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 174.1 | -72.2 | 170.4 | 0 | 0 | 0 | 111.6 | R151 E152 H158 Q159 | R151-L155 WeakPolarHBondContact O-CB 3.32Å; R151-L155 VanDerWaalsContact O-CG 3.23Å; R151-L155 WeakPolarHBondContact O-CG 3.48Å; R151-L155 PolarHBondContact O-N 2.99Å; E152-L155 PolarHBondContact O-N 3.5Å; L155-H158 PolarHBondContact O-N 3.48Å; L155-Q159 WeakPolarHBondContact O-CB 3.48Å; L155-Q159 VanDerWaalsContact O-CG 3.27Å; L155-Q159 WeakPolarHBondContact O-CG 3.13Å; L155-Q159 PolarHBondContact O-N 3Å |
| 156 | D | 89.1 | Confident | 88 | Confident | 79 Ų | 79 | 97.1 Ų | 97.1 | 42% | 0.422 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 176.9 | -74.8 | -11 | 0 | 0 | 0 | 111.7 | E152 V153 Q159 K160 | E152-D156 WeakPolarHBondContact O-CB 3.34Å; E152-D156 VanDerWaalsContact O-CG 3.28Å; E152-D156 PolarHBondContact O-N 3Å; V153-D156 PolarHBondContact O-N 3.44Å; D156-Q159 PolarHBondContact O-N 3.04Å; D156-K160 WeakPolarHBondContact O-CB 3.35Å; D156-K160 VanDerWaalsContact O-CG 3.23Å; D156-K160 WeakPolarHBondContact O-CG 3.42Å; D156-K160 PolarHBondContact O-N 3.08Å |
| 157 | L | 89.8 | Confident | 88.2 | Confident | 104 Ų | 104 | 98.7 Ų | 98.7 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 174.8 | -73.8 | 172.5 | 0 | 0 | 0 | 111.4 | V153 E154 K160 H161 | V153-L157 HydrophobicContact CG1-CD1 4.07Å; V153-L157 HydrophobicContact CG1-CG 4.45Å; V153-L157 WeakPolarHBondContact O-CB 3.39Å; V153-L157 VanDerWaalsContact O-CG 3.26Å; V153-L157 WeakPolarHBondContact O-CG 3.36Å; V153-L157 PolarHBondContact O-N 3.33Å; E154-L157 PolarHBondContact O-N 3.41Å; L157-K160 PolarHBondContact O-N 3.38Å; L157-H161 WeakPolarHBondContact O-CB 3.48Å; L157-H161 PolarHBondContact O-N 3.47Å |
| 158 | H | 89.1 | Confident | 88.3 | Confident | 117 Ų | 117 | 100.6 Ų | 100.6 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 174.4 | 179 | -86.8 | 0 | 0 | 0 | 111.7 | E154 L155 K160 H161 V162 | E154-H158 WeakPolarHBondContact O-CB 3.34Å; E154-H158 PolarHBondContact O-N 2.93Å; L155-H158 PolarHBondContact O-N 3.48Å; H158-K160 PolarHBondContact O-N 3.34Å; H158-H161 WeakPolarHBondContact O-CB 3.37Å; H158-H161 PolarHBondContact O-N 3.47Å; H158-H161 VanDerWaalsContact O-N 3.17Å; H158-V162 WeakPolarHBondContact O-CG2 3.41Å; H158-V162 PolarHBondContact O-N 3.47Å |
| 159 | Q | 90.1 | Very high | 88.6 | Confident | 115 Ų | 115 | 102.1 Ų | 102.1 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 175.4 | -75.5 | 176.7 | 15.4 | 0 | 0 | 111.2 | L155 D156 H161 V162 V163 | L155-Q159 WeakPolarHBondContact O-CB 3.48Å; L155-Q159 VanDerWaalsContact O-CG 3.27Å; L155-Q159 WeakPolarHBondContact O-CG 3.13Å; L155-Q159 PolarHBondContact O-N 3Å; D156-Q159 PolarHBondContact O-N 3.04Å; Q159-H161 VanDerWaalsContact C-N 3.3Å; Q159-H161 PolarHBondContact O-N 3.05Å; Q159-V162 PolarHBondContact O-N 3.46Å; Q159-V163 VanDerWaalsContact O-CG2 3.32Å; Q159-V163 WeakPolarHBondContact O-CG2 3.4Å; Q159-V163 PolarHBondContact O-N 3.28Å |
| 160 | K | 89 | Confident | 88.9 | Confident | 126 Ų | 126 | 101.6 Ų | 101.6 | 55% | 0.548 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 173.7 | -74.2 | 169.7 | -176 | 174.1 | 0 | 112 | D156 L157 H158 V163 N164 | D156-K160 WeakPolarHBondContact O-CB 3.35Å; D156-K160 VanDerWaalsContact O-CG 3.23Å; D156-K160 WeakPolarHBondContact O-CG 3.42Å; D156-K160 PolarHBondContact O-N 3.08Å; L157-K160 PolarHBondContact O-N 3.38Å; H158-K160 PolarHBondContact O-N 3.34Å; K160-V163 PolarHBondContact O-N 3.13Å; K160-N164 WeakPolarHBondContact O-CB 3.43Å; K160-N164 PolarHBondContact O-N 3.03Å; K160-N164 PolarHBondContact O-ND2 3.13Å; K160-N164 PolarHBondContact O-OD1 2.93Å |
| 161 | H | 90.6 | Very high | 89.1 | Confident | 125 Ų | 125 | 104.6 Ų | 104.6 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -44.2 | 176.2 | -179.9 | 67.1 | 0 | 0 | 0 | 112.3 | L157 H158 Q159 N164 S165 | L157-H161 WeakPolarHBondContact O-CB 3.48Å; L157-H161 PolarHBondContact O-N 3.47Å; H158-H161 WeakPolarHBondContact O-CB 3.37Å; H158-H161 PolarHBondContact O-N 3.47Å; H158-H161 VanDerWaalsContact O-N 3.17Å; Q159-H161 VanDerWaalsContact C-N 3.3Å; Q159-H161 PolarHBondContact O-N 3.05Å; H161-N164 PolarHBondContact O-N 3.33Å; H161-S165 WeakPolarHBondContact O-CB 3.41Å; H161-S165 PolarHBondContact O-N 2.83Å; H161-S165 PolarHBondContact O-OG 2.84Å |
| 162 | V | 92.8 | Very high | 89.3 | Confident | 58 Ų | 58 | 103.9 Ų | 103.9 | 35% | 0.352 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | H158 Q159 S165 W166 | H158-V162 WeakPolarHBondContact O-CG2 3.41Å; H158-V162 PolarHBondContact O-N 3.47Å; Q159-V162 PolarHBondContact O-N 3.46Å; V162-S165 WeakPolarHBondContact CA-OG 3.38Å; V162-S165 PolarHBondContact O-N 3.26Å; V162-S165 PolarHBondContact O-OG 3.04Å; V162-W166 WeakPolarHBondContact O-CB 3.34Å; V162-W166 PolarHBondContact O-N 3Å |
| 163 | V | 92.1 | Very high | 89.6 | Confident | 76 Ų | 76 | 104.3 Ų | 104.3 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 175.8 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | Q159 K160 S165 W166 E167 | Q159-V163 VanDerWaalsContact O-CG2 3.32Å; Q159-V163 WeakPolarHBondContact O-CG2 3.4Å; Q159-V163 PolarHBondContact O-N 3.28Å; K160-V163 PolarHBondContact O-N 3.13Å; V163-S165 VanDerWaalsContact C-N 3.33Å; V163-S165 PolarHBondContact O-N 3.4Å; V163-W166 WeakPolarHBondContact O-CB 3.48Å; V163-W166 PolarHBondContact O-N 3.02Å; V163-E167 WeakPolarHBondContact O-CG 3.49Å; V163-E167 PolarHBondContact O-N 2.89Å |
| 164 | N | 89.9 | Confident | 89.8 | Confident | 92 Ų | 92 | 106.8 Ų | 106.8 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.4 | -67.2 | -7.3 | 0 | 0 | 0 | 111.8 | K160 H161 E167 T168 | K160-N164 WeakPolarHBondContact O-CB 3.43Å; K160-N164 PolarHBondContact O-N 3.03Å; K160-N164 PolarHBondContact O-ND2 3.13Å; K160-N164 PolarHBondContact O-OD1 2.93Å; H161-N164 PolarHBondContact O-N 3.33Å; N164-E167 PolarHBondContact O-N 2.82Å; N164-T168 PolarHBondContact O-N 3.13Å; N164-T168 PolarHBondContact O-OG1 3.43Å |
| 165 | S | 88.1 | Confident | 90 | Very high | 48 Ų | 48 | 108.1 Ų | 108.1 | 34% | 0.336 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.3 | -31.7 | 177.6 | 68.2 | 0 | 0 | 0 | 0 | 112.7 | H161 V162 V163 T168 Q169 | H161-S165 WeakPolarHBondContact O-CB 3.41Å; H161-S165 PolarHBondContact O-N 2.83Å; H161-S165 PolarHBondContact O-OG 2.84Å; V162-S165 WeakPolarHBondContact CA-OG 3.38Å; V162-S165 PolarHBondContact O-N 3.26Å; V162-S165 PolarHBondContact O-OG 3.04Å; V163-S165 VanDerWaalsContact C-N 3.33Å; V163-S165 PolarHBondContact O-N 3.4Å; S165-T168 VanDerWaalsContact CA-OG1 3.3Å; S165-T168 WeakPolarHBondContact CA-OG1 3.44Å; S165-T168 PolarHBondContact O-OG1 3.24Å; S165-Q169 VanDerWaalsContact O-CB 3.32Å; S165-Q169 WeakPolarHBondContact O-CB 3.47Å; S165-Q169 PolarHBondContact O-N 3.36Å |
| 166 | W | 90.9 | Very high | 90.1 | Very high | 180 Ų | 180 | 109.3 Ų | 109.3 | 68% | 0.682 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.2 | -38.8 | 169.7 | -103.9 | 13.9 | 0 | 0 | 0 | 113 | V162 V163 Q169 K170 | V162-W166 WeakPolarHBondContact O-CB 3.34Å; V162-W166 PolarHBondContact O-N 3Å; V163-W166 WeakPolarHBondContact O-CB 3.48Å; V163-W166 PolarHBondContact O-N 3.02Å; W166-Q169 PolarHBondContact O-N 3.36Å; W166-K170 WeakPolarHBondContact O-CB 3.47Å; W166-K170 PolarHBondContact O-N 3.02Å |
| 167 | E | 87.9 | Confident | 90.2 | Very high | 113 Ų | 113 | 110.4 Ų | 110.4 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 173.8 | -74.3 | 179.6 | 173.8 | 0 | 0 | 110.8 | V163 N164 Q169 K170 E171 | V163-E167 WeakPolarHBondContact O-CG 3.49Å; V163-E167 PolarHBondContact O-N 2.89Å; N164-E167 PolarHBondContact O-N 2.82Å; E167-Q169 VanDerWaalsContact C-N 3.35Å; E167-Q169 PolarHBondContact O-N 3.5Å; E167-K170 PolarHBondContact O-N 3.16Å; E167-E171 WeakPolarHBondContact O-CG 3.37Å; E167-E171 PolarHBondContact O-N 3.33Å |
| 168 | T | 88.6 | Confident | 90.2 | Very high | 72 Ų | 72 | 107.9 Ų | 107.9 | 44% | 0.442 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 174.3 | 53.1 | 0 | 0 | 0 | 0 | 112 | N164 S165 K170 E171 E172 | N164-T168 PolarHBondContact O-N 3.13Å; N164-T168 PolarHBondContact O-OG1 3.43Å; S165-T168 VanDerWaalsContact CA-OG1 3.3Å; S165-T168 WeakPolarHBondContact CA-OG1 3.44Å; S165-T168 PolarHBondContact O-OG1 3.24Å; T168-K170 VanDerWaalsContact C-N 3.33Å; T168-K170 PolarHBondContact O-N 3.11Å; T168-E171 PolarHBondContact O-N 3.09Å; T168-E172 WeakPolarHBondContact O-CB 3.48Å; T168-E172 WeakPolarHBondContact O-CG 3.29Å; T168-E172 PolarHBondContact O-N 2.97Å |
| 169 | Q | 91.3 | Very high | 90.1 | Very high | 115 Ų | 115 | 105.7 Ų | 105.7 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 177.7 | -171.1 | 179.3 | 14.2 | 0 | 0 | 112.3 | S165 W166 E167 K173 | S165-Q169 VanDerWaalsContact O-CB 3.32Å; S165-Q169 WeakPolarHBondContact O-CB 3.47Å; S165-Q169 PolarHBondContact O-N 3.36Å; W166-Q169 PolarHBondContact O-N 3.36Å; E167-Q169 VanDerWaalsContact C-N 3.35Å; E167-Q169 PolarHBondContact O-N 3.5Å; Q169-K173 WeakPolarHBondContact O-CB 3.34Å; Q169-K173 PolarHBondContact O-N 3.34Å |
| 170 | K | 92.1 | Very high | 90.1 | Very high | 141 Ų | 141 | 102 Ų | 102 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.7 | -38 | 176.3 | -171.2 | 179.6 | -176.3 | 178.6 | 0 | 111.5 | W166 E167 T168 K174 | W166-K170 WeakPolarHBondContact O-CB 3.47Å; W166-K170 PolarHBondContact O-N 3.02Å; E167-K170 PolarHBondContact O-N 3.16Å; T168-K170 VanDerWaalsContact C-N 3.33Å; T168-K170 PolarHBondContact O-N 3.11Å; K170-K174 WeakPolarHBondContact O-CG 3.36Å; K170-K174 PolarHBondContact O-N 3.4Å |
| 171 | E | 89.6 | Confident | 90.3 | Very high | 117 Ų | 117 | 99.6 Ų | 99.6 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 173.9 | -73.1 | 178.2 | 174.1 | 0 | 0 | 111.7 | E167 T168 K173 K174 Q175 | E167-E171 WeakPolarHBondContact O-CG 3.37Å; E167-E171 PolarHBondContact O-N 3.33Å; T168-E171 PolarHBondContact O-N 3.09Å; E171-K173 PolarHBondContact O-N 3.04Å; E171-K174 PolarHBondContact O-N 3.38Å; E171-Q175 WeakPolarHBondContact O-CG 3.26Å; E171-Q175 PolarHBondContact O-N 3.24Å |
| 172 | E | 89.7 | Confident | 90.2 | Very high | 109 Ų | 109 | 98.9 Ų | 98.9 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 173.5 | -76.1 | 175.9 | 177.9 | 0 | 0 | 111.7 | T168 K174 Q175 Q176 | T168-E172 WeakPolarHBondContact O-CB 3.48Å; T168-E172 WeakPolarHBondContact O-CG 3.29Å; T168-E172 PolarHBondContact O-N 2.97Å; E172-K174 VanDerWaalsContact C-N 3.35Å; E172-K174 PolarHBondContact O-N 3.11Å; E172-Q175 PolarHBondContact O-N 2.95Å; E172-Q175 VanDerWaalsContact O-N 3.17Å; E172-Q176 WeakPolarHBondContact O-CG 3.37Å; E172-Q176 PolarHBondContact O-N 3.03Å |
| 173 | K | 92.5 | Very high | 90 | Very high | 126 Ų | 126 | 100.7 Ų | 100.7 | 55% | 0.548 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 177.1 | -171 | 179 | 180 | -176.5 | 0 | 112.1 | Q169 E171 Q175 Q176 E177 | Q169-K173 WeakPolarHBondContact O-CB 3.34Å; Q169-K173 PolarHBondContact O-N 3.34Å; E171-K173 PolarHBondContact O-N 3.04Å; K173-Q175 VanDerWaalsContact C-N 3.34Å; K173-Q175 PolarHBondContact O-N 3.22Å; K173-Q176 PolarHBondContact O-N 3.34Å; K173-E177 VanDerWaalsContact CE-OE1 3.25Å; K173-E177 WeakPolarHBondContact CE-OE1 3.49Å; K173-E177 WeakPolarHBondContact O-CB 3.4Å; K173-E177 WeakPolarHBondContact O-CG 3.48Å; K173-E177 PolarHBondContact O-N 3.04Å |
| 174 | K | 92.3 | Very high | 89.8 | Confident | 126 Ų | 126 | 101.5 Ų | 101.5 | 55% | 0.548 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 174.8 | -77.4 | 177.2 | 176.8 | -177.4 | 0 | 112.3 | K170 E171 E172 A178 | K170-K174 WeakPolarHBondContact O-CG 3.36Å; K170-K174 PolarHBondContact O-N 3.4Å; E171-K174 PolarHBondContact O-N 3.38Å; E172-K174 VanDerWaalsContact C-N 3.35Å; E172-K174 PolarHBondContact O-N 3.11Å; K174-A178 WeakPolarHBondContact O-CB 3.47Å; K174-A178 PolarHBondContact O-N 3.39Å |
| 175 | Q | 89.3 | Confident | 89.9 | Confident | 130 Ų | 130 | 102.6 Ų | 102.6 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.4 | -43.7 | 175.9 | -71.8 | 177.1 | 11.8 | 0 | 0 | 111.1 | E171 E172 K173 A178 T179 | E171-Q175 WeakPolarHBondContact O-CG 3.26Å; E171-Q175 PolarHBondContact O-N 3.24Å; E172-Q175 PolarHBondContact O-N 2.95Å; E172-Q175 VanDerWaalsContact O-N 3.17Å; K173-Q175 VanDerWaalsContact C-N 3.34Å; K173-Q175 PolarHBondContact O-N 3.22Å; Q175-A178 PolarHBondContact O-N 2.85Å; Q175-T179 WeakPolarHBondContact O-CG2 3.34Å; Q175-T179 PolarHBondContact O-N 2.97Å; Q175-T179 PolarHBondContact O-OG1 3.14Å |
| 176 | Q | 86.9 | Confident | 89.9 | Confident | 127 Ų | 127 | 107.7 Ų | 107.7 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -43 | 175.2 | -72.4 | 175.3 | 1.7 | 0 | 0 | 112.5 | E172 K173 A178 T179 A180 | E172-Q176 WeakPolarHBondContact O-CG 3.37Å; E172-Q176 PolarHBondContact O-N 3.03Å; K173-Q176 PolarHBondContact O-N 3.34Å; Q176-A178 VanDerWaalsContact C-N 3.34Å; Q176-T179 WeakPolarHBondContact CA-OG1 3.35Å; Q176-T179 PolarHBondContact O-N 3.29Å; Q176-T179 PolarHBondContact O-OG1 3.41Å; Q176-A180 VanDerWaalsContact O-CB 3.29Å; Q176-A180 WeakPolarHBondContact O-CB 3.34Å; Q176-A180 PolarHBondContact O-N 3.49Å |
| 177 | E | 91 | Very high | 89.8 | Confident | 102 Ų | 102 | 106.1 Ų | 106.1 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 174.4 | -74.4 | 170.8 | -174.3 | 0 | 0 | 111.1 | K173 A180 V181 | K173-E177 VanDerWaalsContact CE-OE1 3.25Å; K173-E177 WeakPolarHBondContact CE-OE1 3.49Å; K173-E177 WeakPolarHBondContact O-CB 3.4Å; K173-E177 WeakPolarHBondContact O-CG 3.48Å; K173-E177 PolarHBondContact O-N 3.04Å; E177-A180 PolarHBondContact O-N 3.43Å; E177-V181 WeakPolarHBondContact O-CB 3.39Å; E177-V181 VanDerWaalsContact O-CG2 3.26Å; E177-V181 WeakPolarHBondContact O-CG2 3.44Å; E177-V181 PolarHBondContact O-N 3.05Å |
| 178 | A | 91.1 | Very high | 89.9 | Confident | 51 Ų | 51 | 106.7 Ų | 106.7 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K174 Q175 Q176 V181 Q182 | K174-A178 WeakPolarHBondContact O-CB 3.47Å; K174-A178 PolarHBondContact O-N 3.39Å; Q175-A178 PolarHBondContact O-N 2.85Å; Q176-A178 VanDerWaalsContact C-N 3.34Å; A178-V181 PolarHBondContact O-N 3.11Å; A178-Q182 WeakPolarHBondContact O-CG 3.39Å; A178-Q182 PolarHBondContact O-N 2.86Å |
| 179 | T | 87.3 | Confident | 90.1 | Very high | 70 Ų | 70 | 107.9 Ų | 107.9 | 43% | 0.429 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 174.7 | 51.1 | 0 | 0 | 0 | 0 | 111.2 | Q175 Q176 V181 Q182 E183 | Q175-T179 WeakPolarHBondContact O-CG2 3.34Å; Q175-T179 PolarHBondContact O-N 2.97Å; Q175-T179 PolarHBondContact O-OG1 3.14Å; Q176-T179 WeakPolarHBondContact CA-OG1 3.35Å; Q176-T179 PolarHBondContact O-N 3.29Å; Q176-T179 PolarHBondContact O-OG1 3.41Å; T179-V181 VanDerWaalsContact C-N 3.35Å; T179-V181 PolarHBondContact O-N 3.45Å; T179-Q182 WeakPolarHBondContact O-CB 3.45Å; T179-Q182 PolarHBondContact O-N 3.14Å; T179-Q182 VanDerWaalsContact O-N 3.13Å; T179-E183 WeakPolarHBondContact O-CB 3.41Å; T179-E183 WeakPolarHBondContact O-CG 3.35Å; T179-E183 PolarHBondContact O-N 3.47Å |
| 180 | A | 90 | Very high | 90.1 | Very high | 39 Ų | 39 | 107 Ų | 107 | 32% | 0.322 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | Q176 E177 Q182 E183 N184 | Q176-A180 VanDerWaalsContact O-CB 3.29Å; Q176-A180 WeakPolarHBondContact O-CB 3.34Å; Q176-A180 PolarHBondContact O-N 3.49Å; E177-A180 PolarHBondContact O-N 3.43Å; A180-Q182 VanDerWaalsContact C-N 3.35Å; A180-Q182 PolarHBondContact O-N 2.9Å; A180-E183 PolarHBondContact O-N 3.39Å; A180-N184 WeakPolarHBondContact O-CB 3.32Å; A180-N184 VanDerWaalsContact O-CG 3.28Å; A180-N184 PolarHBondContact O-N 3.22Å |
| 181 | V | 92.1 | Very high | 89.9 | Confident | 74 Ų | 74 | 108.1 Ų | 108.1 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 174 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | E177 A178 T179 K185 | E177-V181 WeakPolarHBondContact O-CB 3.39Å; E177-V181 VanDerWaalsContact O-CG2 3.26Å; E177-V181 WeakPolarHBondContact O-CG2 3.44Å; E177-V181 PolarHBondContact O-N 3.05Å; A178-V181 PolarHBondContact O-N 3.11Å; T179-V181 VanDerWaalsContact C-N 3.35Å; T179-V181 PolarHBondContact O-N 3.45Å; V181-K185 HydrophobicContact CG1-CD 4.31Å; V181-K185 VanDerWaalsContact O-CG 3.28Å; V181-K185 WeakPolarHBondContact O-CG 3.39Å; V181-K185 PolarHBondContact O-N 2.88Å |
| 182 | Q | 89.2 | Confident | 89.9 | Confident | 110 Ų | 110 | 105.9 Ų | 105.9 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 175.4 | -74.1 | -177.3 | 7.1 | 0 | 0 | 112.2 | A178 T179 A180 K185 R186 | A178-Q182 WeakPolarHBondContact O-CG 3.39Å; A178-Q182 PolarHBondContact O-N 2.86Å; T179-Q182 WeakPolarHBondContact O-CB 3.45Å; T179-Q182 PolarHBondContact O-N 3.14Å; T179-Q182 VanDerWaalsContact O-N 3.13Å; A180-Q182 VanDerWaalsContact C-N 3.35Å; A180-Q182 PolarHBondContact O-N 2.9Å; Q182-K185 PolarHBondContact O-N 2.86Å; Q182-R186 WeakPolarHBondContact O-CG 3.41Å; Q182-R186 PolarHBondContact O-N 3.41Å |
| 183 | E | 87.8 | Confident | 90 | Very high | 96 Ų | 96 | 107.4 Ų | 107.4 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 174.7 | -74.2 | 178.9 | 173.5 | 0 | 0 | 111.2 | T179 A180 K185 R186 Y187 | T179-E183 WeakPolarHBondContact O-CB 3.41Å; T179-E183 WeakPolarHBondContact O-CG 3.35Å; T179-E183 PolarHBondContact O-N 3.47Å; A180-E183 PolarHBondContact O-N 3.39Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 3.3Å; E183-R186 WeakPolarHBondContact O-CA 3.42Å; E183-R186 WeakPolarHBondContact O-CB 3.42Å; E183-R186 PolarHBondContact O-N 2.94Å; E183-Y187 HydrophobicContact CB-CD2 4.4Å; E183-Y187 HydrophobicContact CB-CE2 4.06Å; E183-Y187 WeakPolarHBondContact O-CD2 3.21Å; E183-Y187 PolarHBondContact O-N 2.84Å |
| 184 | N | 88.6 | Confident | 90 | Very high | 93 Ų | 93 | 103.9 Ų | 103.9 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.4 | -44.5 | 174.6 | -75.7 | -12.5 | 0 | 0 | 0 | 111.8 | A180 R186 Y187 E188 | A180-N184 WeakPolarHBondContact O-CB 3.32Å; A180-N184 VanDerWaalsContact O-CG 3.28Å; A180-N184 PolarHBondContact O-N 3.22Å; N184-R186 VanDerWaalsContact C-N 3.29Å; N184-R186 PolarHBondContact O-N 2.99Å; N184-Y187 PolarHBondContact O-N 3.44Å; N184-E188 WeakPolarHBondContact O-CB 3.44Å; N184-E188 VanDerWaalsContact O-CG 3.31Å; N184-E188 WeakPolarHBondContact O-CG 3.28Å; N184-E188 PolarHBondContact O-N 2.98Å |
| 185 | K | 91.1 | Very high | 89.9 | Confident | 116 Ų | 116 | 104.6 Ų | 104.6 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 174.1 | -74.3 | 172.7 | -178.6 | -179.9 | 0 | 112.7 | V181 Q182 E183 N189 | V181-K185 HydrophobicContact CG1-CD 4.31Å; V181-K185 VanDerWaalsContact O-CG 3.28Å; V181-K185 WeakPolarHBondContact O-CG 3.39Å; V181-K185 PolarHBondContact O-N 2.88Å; Q182-K185 PolarHBondContact O-N 2.86Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 3.3Å; K185-N189 WeakPolarHBondContact O-CB 3.38Å; K185-N189 PolarHBondContact O-N 3.03Å; K185-N189 PolarHBondContact O-ND2 2.89Å |
| 186 | R | 89.4 | Confident | 90 | Very high | 154 Ų | 154 | 105.5 Ų | 105.5 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -46.7 | 175.5 | -70.8 | 171.5 | -173.6 | -170.6 | 4.1 | 110.7 | Q182 E183 N184 N189 E190 | Q182-R186 WeakPolarHBondContact O-CG 3.41Å; Q182-R186 PolarHBondContact O-N 3.41Å; E183-R186 WeakPolarHBondContact O-CA 3.42Å; E183-R186 WeakPolarHBondContact O-CB 3.42Å; E183-R186 PolarHBondContact O-N 2.94Å; N184-R186 VanDerWaalsContact C-N 3.29Å; N184-R186 PolarHBondContact O-N 2.99Å; R186-N189 PolarHBondContact O-N 3.26Å; R186-E190 WeakPolarHBondContact O-CG 3.31Å; R186-E190 PolarHBondContact O-N 3.23Å |
| 187 | Y | 87.8 | Confident | 90.2 | Very high | 147 Ų | 147 | 103.7 Ų | 103.7 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.9 | -43 | 176.6 | -67.7 | -57.5 | 0 | 0 | 0 | 112.4 | E183 N184 N189 E190 Y191 | E183-Y187 HydrophobicContact CB-CD2 4.4Å; E183-Y187 HydrophobicContact CB-CE2 4.06Å; E183-Y187 WeakPolarHBondContact O-CD2 3.21Å; E183-Y187 PolarHBondContact O-N 2.84Å; N184-Y187 PolarHBondContact O-N 3.44Å; Y187-N189 VanDerWaalsContact C-N 3.34Å; Y187-N189 PolarHBondContact O-N 2.86Å; Y187-E190 PolarHBondContact O-N 3.35Å; Y187-Y191 WeakPolarHBondContact O-CB 3.38Å; Y187-Y191 PolarHBondContact O-N 3.39Å |
| 188 | E | 90.7 | Very high | 90.2 | Very high | 125 Ų | 125 | 101.1 Ų | 101.1 | 58% | 0.584 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60 | -43.9 | 174.2 | -74.9 | 172.1 | -179.1 | 0 | 0 | 111.5 | N184 Y191 E192 | N184-E188 WeakPolarHBondContact O-CB 3.44Å; N184-E188 VanDerWaalsContact O-CG 3.31Å; N184-E188 WeakPolarHBondContact O-CG 3.28Å; N184-E188 PolarHBondContact O-N 2.98Å; E188-Y191 PolarHBondContact O-N 2.85Å; E188-E192 WeakPolarHBondContact O-CB 3.5Å; E188-E192 WeakPolarHBondContact O-CG 3.49Å; E188-E192 PolarHBondContact O-N 2.84Å |
| 189 | N | 92.1 | Very high | 90.3 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.2 | -35.5 | 177 | -74.1 | -36.9 | 0 | 0 | 0 | 112.8 | K185 R186 Y187 R193 | K185-N189 WeakPolarHBondContact O-CB 3.38Å; K185-N189 PolarHBondContact O-N 3.03Å; K185-N189 PolarHBondContact O-ND2 2.89Å; R186-N189 PolarHBondContact O-N 3.26Å; Y187-N189 VanDerWaalsContact C-N 3.34Å; Y187-N189 PolarHBondContact O-N 2.86Å; N189-R193 WeakPolarHBondContact O-CB 3.33Å; N189-R193 VanDerWaalsContact O-CG 3.27Å; N189-R193 WeakPolarHBondContact O-CG 3.38Å; N189-R193 PolarHBondContact O-N 3.02Å; N189-R193 PolarHBondContact O-NE 3.46Å |
| 190 | E | 91.9 | Very high | 90.5 | Very high | 98 Ų | 98 | 106 Ų | 106 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.9 | -42.2 | 173.6 | -75.6 | 171.8 | -175.6 | 0 | 0 | 111.4 | R186 Y187 R193 A194 | R186-E190 WeakPolarHBondContact O-CG 3.31Å; R186-E190 PolarHBondContact O-N 3.23Å; Y187-E190 PolarHBondContact O-N 3.35Å; E190-R193 PolarHBondContact O-N 3.37Å; E190-A194 WeakPolarHBondContact O-CB 3.4Å; E190-A194 PolarHBondContact O-N 3.21Å |
| 191 | Y | 87.6 | Confident | 90.5 | Very high | 163 Ų | 163 | 111.1 Ų | 111.1 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -45.9 | 175 | -178.4 | -97.1 | 0 | 0 | 0 | 112.1 | Y187 E188 R193 A194 R195 | Y187-Y191 WeakPolarHBondContact O-CB 3.38Å; Y187-Y191 PolarHBondContact O-N 3.39Å; E188-Y191 PolarHBondContact O-N 2.85Å; Y191-R193 VanDerWaalsContact C-N 3.34Å; Y191-R193 PolarHBondContact O-N 3.34Å; Y191-A194 PolarHBondContact O-N 3.47Å; Y191-R195 VanDerWaalsContact O-CB 3.32Å; Y191-R195 WeakPolarHBondContact O-CB 3.23Å; Y191-R195 PolarHBondContact O-N 3.43Å |
| 192 | E | 90.3 | Very high | 90.1 | Very high | 70 Ų | 70 | 112.5 Ų | 112.5 | 33% | 0.327 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 174.1 | -86.5 | -81.2 | 138.5 | 0 | 0 | 111.7 | E188 R195 R196 | E188-E192 WeakPolarHBondContact O-CB 3.5Å; E188-E192 WeakPolarHBondContact O-CG 3.49Å; E188-E192 PolarHBondContact O-N 2.84Å; E192-R195 PolarHBondContact O-N 3.14Å; E192-R196 VanDerWaalsContact O-CG 3.28Å; E192-R196 WeakPolarHBondContact O-CG 3.49Å; E192-R196 PolarHBondContact O-N 3.36Å; E192-R196 IonicContact OE2-CZ 3.95Å; E192-R196 IonicContact OE2-NE 2.75Å; E192-R196 PolarHBondContact OE2-NE 2.88Å; E192-R196 IonicContact OE2-NH2 3.51Å; E192-R196 PolarHBondContact OE2-NH2 2.96Å |
| 193 | R | 91.4 | Very high | 90.2 | Very high | 142 Ų | 142 | 113.2 Ų | 113.2 | 54% | 0.536 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -49.7 | 175 | -79.5 | -175.5 | -73.5 | 166.7 | -2.1 | 111.4 | N189 E190 Y191 R195 R196 E197 | N189-R193 WeakPolarHBondContact O-CB 3.33Å; N189-R193 VanDerWaalsContact O-CG 3.27Å; N189-R193 WeakPolarHBondContact O-CG 3.38Å; N189-R193 PolarHBondContact O-N 3.02Å; N189-R193 PolarHBondContact O-NE 3.46Å; E190-R193 PolarHBondContact O-N 3.37Å; Y191-R193 VanDerWaalsContact C-N 3.34Å; Y191-R193 PolarHBondContact O-N 3.34Å; R193-R195 VanDerWaalsContact C-N 3.28Å; R193-R195 PolarHBondContact O-N 3.09Å; R193-R196 PolarHBondContact O-N 3.23Å; R193-R196 VanDerWaalsContact O-N 3.16Å; R193-E197 WeakPolarHBondContact O-CG 3.33Å; R193-E197 PolarHBondContact O-N 3.01Å |
| 194 | A | 92.4 | Very high | 90.3 | Very high | 52 Ų | 52 | 110.6 Ų | 110.6 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E190 Y191 A198 | E190-A194 WeakPolarHBondContact O-CB 3.4Å; E190-A194 PolarHBondContact O-N 3.21Å; Y191-A194 PolarHBondContact O-N 3.47Å; A194-A198 WeakPolarHBondContact O-CB 3.46Å; A194-A198 PolarHBondContact O-N 3.44Å |
| 195 | R | 90 | Very high | 90.3 | Very high | 141 Ų | 141 | 110.8 Ų | 110.8 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 175.2 | -175.3 | -177.9 | -178.9 | -172.4 | 3.4 | 111.9 | Y191 E192 R193 A198 L199 | Y191-R195 VanDerWaalsContact O-CB 3.32Å; Y191-R195 WeakPolarHBondContact O-CB 3.23Å; Y191-R195 PolarHBondContact O-N 3.43Å; E192-R195 PolarHBondContact O-N 3.14Å; R193-R195 VanDerWaalsContact C-N 3.28Å; R193-R195 PolarHBondContact O-N 3.09Å; R195-A198 PolarHBondContact O-N 3.35Å; R195-L199 HydrophobicContact CG-CD1 4.35Å; R195-L199 WeakPolarHBondContact O-CG 3.49Å; R195-L199 PolarHBondContact O-N 3.31Å |
| 196 | R | 91.4 | Very high | 90.1 | Very high | 149 Ų | 149 | 110 Ų | 110 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -45.3 | 176.9 | -71.8 | 173.4 | -163.4 | -174.8 | 5.8 | 111.3 | E192 R193 A198 L199 E200 | E192-R196 VanDerWaalsContact O-CG 3.28Å; E192-R196 WeakPolarHBondContact O-CG 3.49Å; E192-R196 PolarHBondContact O-N 3.36Å; E192-R196 IonicContact OE2-CZ 3.95Å; E192-R196 IonicContact OE2-NE 2.75Å; E192-R196 PolarHBondContact OE2-NE 2.88Å; E192-R196 IonicContact OE2-NH2 3.51Å; E192-R196 PolarHBondContact OE2-NH2 2.96Å; R193-R196 PolarHBondContact O-N 3.23Å; R193-R196 VanDerWaalsContact O-N 3.16Å; R196-A198 VanDerWaalsContact C-N 3.34Å; R196-A198 PolarHBondContact O-N 3.09Å; R196-L199 PolarHBondContact O-N 3.01Å; R196-E200 WeakPolarHBondContact O-CB 3.32Å; R196-E200 WeakPolarHBondContact O-CG 3.39Å; R196-E200 PolarHBondContact O-N 2.85Å |
| 197 | E | 90.9 | Very high | 90.1 | Very high | 89 Ų | 89 | 108.5 Ų | 108.5 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 175.4 | -73.6 | -179.7 | -158.2 | 0 | 0 | 112.1 | R193 E200 R201 | R193-E197 WeakPolarHBondContact O-CG 3.33Å; R193-E197 PolarHBondContact O-N 3.01Å; E197-E200 PolarHBondContact O-N 2.85Å; E197-R201 WeakPolarHBondContact O-CB 3.49Å; E197-R201 VanDerWaalsContact O-CG 3.28Å; E197-R201 WeakPolarHBondContact O-CG 3.49Å; E197-R201 PolarHBondContact O-N 3.17Å; E197-R201 IonicContact OE2-CZ 3.86Å; E197-R201 IonicContact OE2-NH1 2.84Å; E197-R201 IonicContact OE2-NH2 3.52Å; E197-R201 PolarHBondContact OE2-NH2 3.35Å |
| 198 | A | 91.9 | Very high | 90.2 | Very high | 47 Ų | 47 | 109.7 Ų | 109.7 | 39% | 0.388 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A194 R195 R196 R201 M202 | A194-A198 WeakPolarHBondContact O-CB 3.46Å; A194-A198 PolarHBondContact O-N 3.44Å; R195-A198 PolarHBondContact O-N 3.35Å; R196-A198 VanDerWaalsContact C-N 3.34Å; R196-A198 PolarHBondContact O-N 3.09Å; A198-R201 PolarHBondContact O-N 2.88Å; A198-M202 VanDerWaalsContact O-CG 3.28Å; A198-M202 WeakPolarHBondContact O-CG 3.5Å; A198-M202 PolarHBondContact O-N 3.37Å |
| 199 | L | 91.9 | Very high | 90.1 | Very high | 94 Ų | 94 | 111.3 Ų | 111.3 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 176.2 | -72.7 | 170.6 | 0 | 0 | 0 | 112.4 | R195 R196 M202 K203 | R195-L199 HydrophobicContact CG-CD1 4.35Å; R195-L199 WeakPolarHBondContact O-CG 3.49Å; R195-L199 PolarHBondContact O-N 3.31Å; R196-L199 PolarHBondContact O-N 3.01Å; L199-M202 PolarHBondContact O-N 3.43Å; L199-K203 WeakPolarHBondContact O-CB 3.49Å; L199-K203 VanDerWaalsContact O-CG 3.3Å; L199-K203 WeakPolarHBondContact O-CG 3.43Å; L199-K203 PolarHBondContact O-N 2.93Å |
| 200 | E | 91.1 | Very high | 89.9 | Confident | 131 Ų | 131 | 111.5 Ų | 111.5 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.8 | -39.8 | 175.9 | -75.1 | 177.1 | 179.4 | 0 | 0 | 111.9 | R196 E197 K203 A204 | R196-E200 WeakPolarHBondContact O-CB 3.32Å; R196-E200 WeakPolarHBondContact O-CG 3.39Å; R196-E200 PolarHBondContact O-N 2.85Å; E197-E200 PolarHBondContact O-N 2.85Å; E200-K203 PolarHBondContact O-N 3.39Å; E200-A204 VanDerWaalsContact O-CB 3.31Å; E200-A204 WeakPolarHBondContact O-CB 3.45Å; E200-A204 PolarHBondContact O-N 2.94Å |
| 201 | R | 91.6 | Very high | 90 | Very high | 145 Ų | 145 | 111.8 Ų | 111.8 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 173 | -73.7 | 177 | -169.1 | 121.9 | 12.9 | 111.4 | E197 A198 K203 A204 E205 | E197-R201 WeakPolarHBondContact O-CB 3.49Å; E197-R201 VanDerWaalsContact O-CG 3.28Å; E197-R201 WeakPolarHBondContact O-CG 3.49Å; E197-R201 PolarHBondContact O-N 3.17Å; E197-R201 IonicContact OE2-CZ 3.86Å; E197-R201 IonicContact OE2-NH1 2.84Å; E197-R201 IonicContact OE2-NH2 3.52Å; E197-R201 PolarHBondContact OE2-NH2 3.35Å; A198-R201 PolarHBondContact O-N 2.88Å; R201-K203 PolarHBondContact O-N 3.49Å; R201-A204 PolarHBondContact O-N 3.44Å; R201-E205 WeakPolarHBondContact O-CG 3.45Å; R201-E205 PolarHBondContact O-N 2.92Å |
| 202 | M | 82.9 | Confident | 90 | Very high | 104 Ų | 104 | 109.2 Ų | 109.2 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 176.2 | -69.6 | -64.7 | -62 | 0 | 0 | 111.7 | A198 L199 E205 E206 | A198-M202 VanDerWaalsContact O-CG 3.28Å; A198-M202 WeakPolarHBondContact O-CG 3.5Å; A198-M202 PolarHBondContact O-N 3.37Å; L199-M202 PolarHBondContact O-N 3.43Å; M202-E205 PolarHBondContact O-N 3.29Å; M202-E206 WeakPolarHBondContact O-CG 3.49Å; M202-E206 PolarHBondContact O-N 3.12Å |
| 203 | K | 90.3 | Very high | 89.9 | Confident | 125 Ų | 125 | 110.5 Ų | 110.5 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 176.1 | -73.9 | 177.2 | -177.4 | -177.5 | 0 | 112.3 | L199 E200 R201 E205 E206 E207 | L199-K203 WeakPolarHBondContact O-CB 3.49Å; L199-K203 VanDerWaalsContact O-CG 3.3Å; L199-K203 WeakPolarHBondContact O-CG 3.43Å; L199-K203 PolarHBondContact O-N 2.93Å; E200-K203 PolarHBondContact O-N 3.39Å; R201-K203 PolarHBondContact O-N 3.49Å; K203-E205 VanDerWaalsContact C-N 3.32Å; K203-E205 PolarHBondContact O-N 3.12Å; K203-E206 PolarHBondContact O-N 3.11Å; K203-E207 WeakPolarHBondContact O-CB 3.49Å; K203-E207 WeakPolarHBondContact O-CG 3.5Å; K203-E207 PolarHBondContact O-N 2.96Å |
| 204 | A | 91.4 | Very high | 89.9 | Confident | 41 Ų | 41 | 109.3 Ų | 109.3 | 34% | 0.339 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E200 R201 R208 | E200-A204 VanDerWaalsContact O-CB 3.31Å; E200-A204 WeakPolarHBondContact O-CB 3.45Å; E200-A204 PolarHBondContact O-N 2.94Å; R201-A204 PolarHBondContact O-N 3.44Å; A204-R208 WeakPolarHBondContact O-CB 3.42Å; A204-R208 VanDerWaalsContact O-CG 3.25Å; A204-R208 WeakPolarHBondContact O-CG 3.29Å; A204-R208 PolarHBondContact O-N 3.32Å |
| 205 | E | 88.3 | Confident | 90 | Very high | 97 Ų | 97 | 112.1 Ų | 112.1 | 45% | 0.453 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 172.8 | -74.5 | 177 | -166.2 | 0 | 0 | 112 | R201 M202 K203 R208 R209 | R201-E205 WeakPolarHBondContact O-CG 3.45Å; R201-E205 PolarHBondContact O-N 2.92Å; M202-E205 PolarHBondContact O-N 3.29Å; K203-E205 VanDerWaalsContact C-N 3.32Å; K203-E205 PolarHBondContact O-N 3.12Å; E205-R208 PolarHBondContact O-N 3.4Å; E205-R209 WeakPolarHBondContact O-CG 3.42Å; E205-R209 PolarHBondContact O-N 3.03Å |
| 206 | E | 85.9 | Confident | 89.9 | Confident | 100 Ų | 100 | 110.5 Ų | 110.5 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 174 | -75 | 175.1 | 179.9 | 0 | 0 | 112 | M202 K203 R209 Q210 | M202-E206 WeakPolarHBondContact O-CG 3.49Å; M202-E206 PolarHBondContact O-N 3.12Å; K203-E206 PolarHBondContact O-N 3.11Å; E206-R209 PolarHBondContact O-N 3.42Å; E206-Q210 WeakPolarHBondContact O-CB 3.48Å; E206-Q210 VanDerWaalsContact O-CG 3.28Å; E206-Q210 WeakPolarHBondContact O-CG 3.43Å; E206-Q210 PolarHBondContact O-N 3.5Å |
| 207 | E | 90.4 | Very high | 89.8 | Confident | 121 Ų | 121 | 105.7 Ų | 105.7 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 175.9 | -75.8 | 176.2 | -178.7 | 0 | 0 | 111.7 | K203 Q210 L211 | K203-E207 WeakPolarHBondContact O-CB 3.49Å; K203-E207 WeakPolarHBondContact O-CG 3.5Å; K203-E207 PolarHBondContact O-N 2.96Å; E207-Q210 PolarHBondContact O-N 3.09Å; E207-L211 VanDerWaalsContact O-CG 3.32Å; E207-L211 WeakPolarHBondContact O-CG 3.5Å; E207-L211 PolarHBondContact O-N 3.46Å |
| 208 | R | 90.4 | Very high | 89.9 | Confident | 172 Ų | 172 | 106.5 Ų | 106.5 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -47.9 | 174 | -77.1 | 175.3 | 178.1 | -161.9 | -0.4 | 111.7 | A204 E205 Q210 L211 E212 | A204-R208 WeakPolarHBondContact O-CB 3.42Å; A204-R208 VanDerWaalsContact O-CG 3.25Å; A204-R208 WeakPolarHBondContact O-CG 3.29Å; A204-R208 PolarHBondContact O-N 3.32Å; E205-R208 PolarHBondContact O-N 3.4Å; R208-Q210 VanDerWaalsContact C-N 3.32Å; R208-Q210 PolarHBondContact O-N 3.35Å; R208-L211 PolarHBondContact O-N 3.09Å; R208-L211 VanDerWaalsContact O-N 3.14Å; R208-E212 WeakPolarHBondContact O-CG 3.36Å; R208-E212 PolarHBondContact O-N 3.15Å |
| 209 | R | 88.1 | Confident | 89.9 | Confident | 159 Ų | 159 | 106.2 Ų | 106.2 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.8 | -43.8 | 175.2 | -72.1 | 177.4 | -174.5 | -179 | 4.5 | 111.6 | E205 E206 L211 E212 D213 | E205-R209 WeakPolarHBondContact O-CG 3.42Å; E205-R209 PolarHBondContact O-N 3.03Å; E206-R209 PolarHBondContact O-N 3.42Å; R209-L211 VanDerWaalsContact C-N 3.31Å; R209-L211 PolarHBondContact O-N 2.99Å; R209-E212 PolarHBondContact O-N 3.41Å; R209-D213 WeakPolarHBondContact O-CB 3.06Å; R209-D213 PolarHBondContact O-N 3.27Å |
| 210 | Q | 88.5 | Confident | 89.9 | Confident | 102 Ų | 102 | 105 Ų | 105 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 176.6 | -73.7 | 176.2 | 22.1 | 0 | 0 | 113 | E206 E207 R208 K214 | E206-Q210 WeakPolarHBondContact O-CB 3.48Å; E206-Q210 VanDerWaalsContact O-CG 3.28Å; E206-Q210 WeakPolarHBondContact O-CG 3.43Å; E206-Q210 PolarHBondContact O-N 3.5Å; E207-Q210 PolarHBondContact O-N 3.09Å; R208-Q210 VanDerWaalsContact C-N 3.32Å; R208-Q210 PolarHBondContact O-N 3.35Å; Q210-K214 WeakPolarHBondContact O-CB 3.37Å; Q210-K214 WeakPolarHBondContact O-CD 3.35Å; Q210-K214 WeakPolarHBondContact O-CG 3.36Å; Q210-K214 PolarHBondContact O-N 3.27Å |
| 211 | L | 92.3 | Very high | 90 | Very high | 103 Ų | 103 | 103.9 Ų | 103.9 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -43.2 | 174.7 | -70.7 | 170.3 | 0 | 0 | 0 | 111.1 | E207 R208 R209 K214 L215 | E207-L211 VanDerWaalsContact O-CG 3.32Å; E207-L211 WeakPolarHBondContact O-CG 3.5Å; E207-L211 PolarHBondContact O-N 3.46Å; R208-L211 PolarHBondContact O-N 3.09Å; R208-L211 VanDerWaalsContact O-N 3.14Å; R209-L211 VanDerWaalsContact C-N 3.31Å; R209-L211 PolarHBondContact O-N 2.99Å; L211-K214 PolarHBondContact O-N 3.31Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.14Å; L211-L215 PolarHBondContact O-N 2.89Å |
| 212 | E | 89.3 | Confident | 90 | Very high | 110 Ų | 110 | 102.4 Ų | 102.4 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 174.4 | -71.6 | 169.1 | -172.1 | 0 | 0 | 111.1 | R208 R209 K214 L215 Q216 | R208-E212 WeakPolarHBondContact O-CG 3.36Å; R208-E212 PolarHBondContact O-N 3.15Å; R209-E212 PolarHBondContact O-N 3.41Å; E212-K214 VanDerWaalsContact C-N 3.31Å; E212-K214 PolarHBondContact O-N 3.4Å; E212-L215 PolarHBondContact O-N 3.44Å; E212-Q216 WeakPolarHBondContact O-CB 3.27Å; E212-Q216 VanDerWaalsContact O-CG 3.27Å; E212-Q216 WeakPolarHBondContact O-CG 3.38Å; E212-Q216 PolarHBondContact O-N 2.93Å |
| 213 | D | 87.9 | Confident | 90.3 | Very high | 97 Ų | 97 | 99.7 Ų | 99.7 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 175.7 | -71.1 | -19.3 | 0 | 0 | 0 | 111.9 | R209 A217 | R209-D213 WeakPolarHBondContact O-CB 3.06Å; R209-D213 PolarHBondContact O-N 3.27Å; D213-A217 VanDerWaalsContact O-CB 3.24Å; D213-A217 WeakPolarHBondContact O-CB 3.29Å; D213-A217 PolarHBondContact O-N 3.24Å |
| 214 | K | 91.9 | Very high | 90.4 | Very high | 116 Ų | 116 | 97.5 Ų | 97.5 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 175.4 | -77.1 | 169.4 | -171.9 | 175 | 0 | 111.5 | Q210 L211 E212 Q216 A217 E218 | Q210-K214 WeakPolarHBondContact O-CB 3.37Å; Q210-K214 WeakPolarHBondContact O-CD 3.35Å; Q210-K214 WeakPolarHBondContact O-CG 3.36Å; Q210-K214 PolarHBondContact O-N 3.27Å; L211-K214 PolarHBondContact O-N 3.31Å; E212-K214 VanDerWaalsContact C-N 3.31Å; E212-K214 PolarHBondContact O-N 3.4Å; K214-Q216 VanDerWaalsContact C-N 3.32Å; K214-Q216 PolarHBondContact O-N 3.29Å; K214-A217 PolarHBondContact O-N 3.06Å; K214-E218 WeakPolarHBondContact O-CB 3.36Å; K214-E218 WeakPolarHBondContact O-CG 3.45Å; K214-E218 PolarHBondContact O-N 2.83Å |
| 215 | L | 93.1 | Very high | 90.5 | Very high | 112 Ų | 112 | 101 Ų | 101 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 177.9 | -69.7 | 172.1 | 0 | 0 | 0 | 111.3 | L211 E212 E218 A219 | L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.14Å; L211-L215 PolarHBondContact O-N 2.89Å; E212-L215 PolarHBondContact O-N 3.44Å; L215-E218 PolarHBondContact O-N 2.87Å; L215-A219 WeakPolarHBondContact O-CB 3.46Å; L215-A219 PolarHBondContact O-N 3.21Å |
| 216 | Q | 88.1 | Confident | 90.7 | Very high | 107 Ų | 107 | 101 Ų | 101 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 173.9 | -71 | 178.3 | 13.9 | 0 | 0 | 111.4 | E212 K214 A219 L220 | E212-Q216 WeakPolarHBondContact O-CB 3.27Å; E212-Q216 VanDerWaalsContact O-CG 3.27Å; E212-Q216 WeakPolarHBondContact O-CG 3.38Å; E212-Q216 PolarHBondContact O-N 2.93Å; K214-Q216 VanDerWaalsContact C-N 3.32Å; K214-Q216 PolarHBondContact O-N 3.29Å; Q216-A219 PolarHBondContact O-N 3.49Å; Q216-L220 VanDerWaalsContact O-CG 3.28Å; Q216-L220 WeakPolarHBondContact O-CG 3.42Å; Q216-L220 PolarHBondContact O-N 3.43Å |
| 217 | A | 90 | Very high | 91.1 | Very high | 47 Ų | 47 | 96.9 Ų | 96.9 | 39% | 0.388 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D213 K214 L220 L221 | D213-A217 VanDerWaalsContact O-CB 3.24Å; D213-A217 WeakPolarHBondContact O-CB 3.29Å; D213-A217 PolarHBondContact O-N 3.24Å; K214-A217 PolarHBondContact O-N 3.06Å; A217-L220 PolarHBondContact O-N 3.05Å; A217-L221 WeakPolarHBondContact O-CB 3.47Å; A217-L221 VanDerWaalsContact O-CG 3.29Å; A217-L221 WeakPolarHBondContact O-CG 3.46Å; A217-L221 PolarHBondContact O-N 3.11Å |
| 218 | E | 93.5 | Very high | 91.2 | Very high | 106 Ų | 106 | 97.5 Ų | 97.5 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.8 | -74.9 | 174.3 | -172.4 | 0 | 0 | 111.5 | K214 L215 L220 L221 Q222 | K214-E218 WeakPolarHBondContact O-CB 3.36Å; K214-E218 WeakPolarHBondContact O-CG 3.45Å; K214-E218 PolarHBondContact O-N 2.83Å; L215-E218 PolarHBondContact O-N 2.87Å; E218-L220 PolarHBondContact O-N 2.94Å; E218-L221 WeakPolarHBondContact O-CB 3.27Å; E218-L221 PolarHBondContact O-N 3.42Å; E218-Q222 WeakPolarHBondContact O-CG 3.37Å; E218-Q222 PolarHBondContact O-N 3.46Å |
| 219 | A | 91.3 | Very high | 91.4 | Very high | 42 Ų | 42 | 94.5 Ų | 94.5 | 35% | 0.347 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L215 Q216 L221 Q222 Q223 | L215-A219 WeakPolarHBondContact O-CB 3.46Å; L215-A219 PolarHBondContact O-N 3.21Å; Q216-A219 PolarHBondContact O-N 3.49Å; A219-L221 VanDerWaalsContact C-N 3.35Å; A219-Q222 PolarHBondContact O-N 3.01Å; A219-Q223 WeakPolarHBondContact O-CG 3.38Å; A219-Q223 PolarHBondContact O-N 2.97Å |
| 220 | L | 90.8 | Very high | 91.5 | Very high | 69 Ų | 69 | 89.7 Ų | 89.7 | 36% | 0.361 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 174.8 | -69.2 | 172.8 | 0 | 0 | 0 | 111.9 | Q216 A217 E218 Q223 M224 L412 A415 | Q216-L220 VanDerWaalsContact O-CG 3.28Å; Q216-L220 WeakPolarHBondContact O-CG 3.42Å; Q216-L220 PolarHBondContact O-N 3.43Å; A217-L220 PolarHBondContact O-N 3.05Å; E218-L220 PolarHBondContact O-N 2.94Å; L220-Q223 PolarHBondContact O-N 3.43Å; L220-M224 WeakPolarHBondContact O-CG 3.31Å; L220-M224 PolarHBondContact O-N 3.16Å; L220-L412 HydrophobicContact CD2-CD2 3.54Å; L220-A415 HydrophobicContact CD2-CB 4.07Å |
| 221 | L | 93.1 | Very high | 91.6 | Very high | 107 Ų | 107 | 89 Ų | 89 | 56% | 0.56 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | 174.4 | -74.2 | 172 | 0 | 0 | 0 | 111.3 | A217 E218 A219 Q223 M224 E225 | A217-L221 WeakPolarHBondContact O-CB 3.47Å; A217-L221 VanDerWaalsContact O-CG 3.29Å; A217-L221 WeakPolarHBondContact O-CG 3.46Å; A217-L221 PolarHBondContact O-N 3.11Å; E218-L221 WeakPolarHBondContact O-CB 3.27Å; E218-L221 PolarHBondContact O-N 3.42Å; A219-L221 VanDerWaalsContact C-N 3.35Å; L221-Q223 PolarHBondContact O-N 3.32Å; L221-M224 WeakPolarHBondContact O-CB 3.5Å; L221-M224 PolarHBondContact O-N 2.95Å; L221-M224 VanDerWaalsContact O-N 3.16Å; L221-E225 WeakPolarHBondContact O-CG 3.5Å; L221-E225 PolarHBondContact O-N 3.31Å |
| 222 | Q | 92.8 | Very high | 91.7 | Very high | 113 Ų | 113 | 87.5 Ų | 87.5 | 53% | 0.528 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 174.4 | -71 | 170.9 | 1.6 | 0 | 0 | 111.3 | E218 A219 M224 E225 E226 | E218-Q222 WeakPolarHBondContact O-CG 3.37Å; E218-Q222 PolarHBondContact O-N 3.46Å; A219-Q222 PolarHBondContact O-N 3.01Å; Q222-M224 VanDerWaalsContact C-N 3.27Å; Q222-M224 PolarHBondContact O-N 3.34Å; Q222-E225 PolarHBondContact O-N 2.86Å; Q222-E225 VanDerWaalsContact O-N 3.16Å; Q222-E226 WeakPolarHBondContact O-CG 3.41Å; Q222-E226 PolarHBondContact O-N 3.46Å |
| 223 | Q | 89.1 | Confident | 91.9 | Very high | 48 Ų | 48 | 85.8 Ų | 85.8 | 22% | 0.224 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 175.4 | -71.2 | 175.5 | -5.8 | 0 | 0 | 112.6 | A219 L220 L221 L227 L408 L412 | A219-Q223 WeakPolarHBondContact O-CG 3.38Å; A219-Q223 PolarHBondContact O-N 2.97Å; L220-Q223 PolarHBondContact O-N 3.43Å; L221-Q223 PolarHBondContact O-N 3.32Å; Q223-L227 WeakPolarHBondContact O-CG 3.43Å; Q223-L227 PolarHBondContact O-N 3.33Å; Q223-L408 HydrophobicContact CG-CD2 4.42Å; Q223-L412 HydrophobicContact CB-CD2 4.1Å; Q223-L412 VanDerWaalsContact OE1-CD2 3.23Å |
| 224 | M | 91.3 | Very high | 92.1 | Very high | 79 Ų | 79 | 82.5 Ų | 82.5 | 39% | 0.389 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 174.7 | -69.5 | -85.8 | 70.3 | 0 | 0 | 112.8 | L220 L221 Q222 L227 K228 L412 | L220-M224 WeakPolarHBondContact O-CG 3.31Å; L220-M224 PolarHBondContact O-N 3.16Å; L221-M224 WeakPolarHBondContact O-CB 3.5Å; L221-M224 PolarHBondContact O-N 2.95Å; L221-M224 VanDerWaalsContact O-N 3.16Å; Q222-M224 VanDerWaalsContact C-N 3.27Å; Q222-M224 PolarHBondContact O-N 3.34Å; M224-L227 HydrophobicContact CE-CB 4.26Å; M224-L227 HydrophobicContact CE-CD1 3.29Å; M224-L227 HydrophobicContact CE-CG 4.36Å; M224-L227 PolarHBondContact O-N 3.43Å; M224-K228 WeakPolarHBondContact O-CG 3.44Å; M224-K228 PolarHBondContact O-N 2.84Å; M224-L412 HydrophobicContact CE-CD1 3.31Å; M224-L412 HydrophobicContact SD-CD1 4.39Å |
| 225 | E | 93.8 | Very high | 92.1 | Very high | 115 Ų | 115 | 80.3 Ų | 80.3 | 54% | 0.537 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 173.6 | -72.9 | 177.2 | 179 | 0 | 0 | 111.4 | L221 Q222 L227 K228 L229 | L221-E225 WeakPolarHBondContact O-CG 3.5Å; L221-E225 PolarHBondContact O-N 3.31Å; Q222-E225 PolarHBondContact O-N 2.86Å; Q222-E225 VanDerWaalsContact O-N 3.16Å; E225-L227 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 2.86Å; E225-K228 WeakPolarHBondContact O-CB 3.37Å; E225-K228 PolarHBondContact O-N 3.47Å; E225-K228 VanDerWaalsContact O-N 3.14Å; E225-L229 WeakPolarHBondContact O-CG 3.33Å; E225-L229 PolarHBondContact O-N 3.06Å |
| 226 | E | 93.9 | Very high | 92.2 | Very high | 97 Ų | 97 | 80.5 Ų | 80.5 | 45% | 0.453 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.5 | -45.1 | 172.7 | -74.2 | 178.2 | -172.4 | 0 | 0 | 111.4 | Q222 K228 L229 K230 L408 | Q222-E226 WeakPolarHBondContact O-CG 3.41Å; Q222-E226 PolarHBondContact O-N 3.46Å; E226-K228 PolarHBondContact O-N 2.97Å; E226-L229 PolarHBondContact O-N 3.48Å; E226-K230 VanDerWaalsContact O-CG 3.25Å; E226-K230 WeakPolarHBondContact O-CG 3.49Å; E226-K230 PolarHBondContact O-N 3.02Å; E226-L408 HydrophobicContact CB-CD1 4.1Å |
| 227 | L | 93.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 76.7 Ų | 76.7 | 7% | 0.068 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 174.5 | -84.5 | 172.9 | 0 | 0 | 0 | 112.6 | Q223 M224 E225 L229 K230 E231 R405 L408 I409 L412 | Q223-L227 WeakPolarHBondContact O-CG 3.43Å; Q223-L227 PolarHBondContact O-N 3.33Å; M224-L227 HydrophobicContact CE-CB 4.26Å; M224-L227 HydrophobicContact CE-CD1 3.29Å; M224-L227 HydrophobicContact CE-CG 4.36Å; M224-L227 PolarHBondContact O-N 3.43Å; E225-L227 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 2.86Å; L227-L229 VanDerWaalsContact C-N 3.35Å; L227-L229 PolarHBondContact O-N 3.3Å; L227-K230 PolarHBondContact O-N 2.72Å; L227-E231 WeakPolarHBondContact O-CG 3.32Å; L227-E231 PolarHBondContact O-N 2.98Å; L227-R405 HydrophobicContact CD2-CB 4.28Å; L227-R405 HydrophobicContact CD2-CG 3.56Å; L227-L408 HydrophobicContact CD1-CB 4.07Å; L227-L408 HydrophobicContact CD2-CB 3.68Å; L227-L408 HydrophobicContact CD2-CD1 3.89Å; L227-L408 HydrophobicContact CD2-CG 4.45Å; L227-L408 HydrophobicContact CG-CB 3.76Å; L227-L408 HydrophobicContact CG-CD1 3.87Å; L227-L408 HydrophobicContact CG-CG 4.44Å; L227-I409 HydrophobicContact CD1-CG1 4.3Å; L227-I409 HydrophobicContact CD2-CG1 4.3Å; L227-L412 HydrophobicContact CD1-CD1 3.4Å |
| 228 | K | 93.3 | Very high | 92.7 | Very high | 133 Ų | 133 | 80.4 Ų | 80.4 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.4 | -41.7 | 175.4 | -71.8 | 170.6 | -175.8 | 172 | 0 | 111.7 | M224 E225 E226 K230 E231 V232 | M224-K228 WeakPolarHBondContact O-CG 3.44Å; M224-K228 PolarHBondContact O-N 2.84Å; E225-K228 WeakPolarHBondContact O-CB 3.37Å; E225-K228 PolarHBondContact O-N 3.47Å; E225-K228 VanDerWaalsContact O-N 3.14Å; E226-K228 PolarHBondContact O-N 2.97Å; K228-K230 VanDerWaalsContact C-N 3.32Å; K228-K230 PolarHBondContact O-N 3.38Å; K228-E231 PolarHBondContact O-N 3.28Å; K228-V232 WeakPolarHBondContact O-CG2 3.33Å; K228-V232 PolarHBondContact O-N 3.33Å |
| 229 | L | 93.7 | Very high | 92.8 | Very high | 109 Ų | 109 | 81.5 Ų | 81.5 | 57% | 0.571 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62 | -42.1 | 175.6 | -69.3 | 174.3 | 0 | 0 | 0 | 111 | E225 E226 L227 E231 V232 E233 | E225-L229 WeakPolarHBondContact O-CG 3.33Å; E225-L229 PolarHBondContact O-N 3.06Å; E226-L229 PolarHBondContact O-N 3.48Å; L227-L229 VanDerWaalsContact C-N 3.35Å; L227-L229 PolarHBondContact O-N 3.3Å; L229-E231 VanDerWaalsContact C-N 3.34Å; L229-E231 PolarHBondContact O-N 2.98Å; L229-V232 PolarHBondContact O-N 3.38Å; L229-E233 WeakPolarHBondContact O-CG 2.87Å; L229-E233 PolarHBondContact O-N 3.39Å |
| 230 | K | 90.9 | Very high | 93 | Very high | 58 Ų | 58 | 84.1 Ų | 84.1 | 25% | 0.252 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.6 | -36 | 175.5 | -65.8 | -71.6 | 156.1 | -155 | 0 | 112.5 | E226 L227 K228 E233 A234 | E226-K230 VanDerWaalsContact O-CG 3.25Å; E226-K230 WeakPolarHBondContact O-CG 3.49Å; E226-K230 PolarHBondContact O-N 3.02Å; L227-K230 PolarHBondContact O-N 2.72Å; K228-K230 VanDerWaalsContact C-N 3.32Å; K228-K230 PolarHBondContact O-N 3.38Å; K230-E233 WeakPolarHBondContact CD-OE2 3.34Å; K230-E233 IonicContact NZ-OE1 3.46Å; K230-E233 PolarHBondContact NZ-OE1 3.26Å; K230-E233 IonicContact NZ-OE2 3.59Å; K230-E233 PolarHBondContact NZ-OE2 3.48Å; K230-E233 PolarHBondContact O-N 3.18Å; K230-A234 WeakPolarHBondContact O-CB 3.28Å; K230-A234 PolarHBondContact O-N 3.1Å |
| 231 | E | 90.6 | Very high | 93.1 | Very high | 88 Ų | 88 | 83.9 Ų | 83.9 | 41% | 0.411 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 172.4 | -72.4 | -175.8 | 156.5 | 0 | 0 | 111.9 | L227 K228 L229 A234 T235 R405 | L227-E231 WeakPolarHBondContact O-CG 3.32Å; L227-E231 PolarHBondContact O-N 2.98Å; K228-E231 PolarHBondContact O-N 3.28Å; L229-E231 VanDerWaalsContact C-N 3.34Å; L229-E231 PolarHBondContact O-N 2.98Å; E231-A234 PolarHBondContact O-N 3.45Å; E231-T235 WeakPolarHBondContact O-CG2 3.38Å; E231-T235 PolarHBondContact O-N 3.44Å; E231-R405 IonicContact OE1-CZ 2.96Å; E231-R405 IonicContact OE1-NH1 3.31Å; E231-R405 IonicContact OE1-NH2 2.79Å; E231-R405 PolarHBondContact OE1-NH2 3.47Å |
| 232 | V | 93.6 | Very high | 93.2 | Very high | 71 Ų | 71 | 84 Ų | 84 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.2 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | K228 L229 A234 T235 K236 | K228-V232 WeakPolarHBondContact O-CG2 3.33Å; K228-V232 PolarHBondContact O-N 3.33Å; L229-V232 PolarHBondContact O-N 3.38Å; V232-A234 VanDerWaalsContact C-N 3.33Å; V232-A234 PolarHBondContact O-N 3.17Å; V232-T235 PolarHBondContact O-N 3.02Å; V232-T235 VanDerWaalsContact O-N 3.17Å; V232-T235 PolarHBondContact O-OG1 3.27Å; V232-K236 HydrophobicContact CG1-CD 4.44Å; V232-K236 WeakPolarHBondContact O-CG 3.4Å; V232-K236 PolarHBondContact O-N 3.47Å |
| 233 | E | 92.9 | Very high | 93.3 | Very high | 74 Ų | 74 | 82.4 Ų | 82.4 | 35% | 0.346 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57 | -44.5 | 173.8 | -73.1 | 173.4 | -171.2 | 0 | 0 | 111.8 | L229 K230 T235 K236 L237 | L229-E233 WeakPolarHBondContact O-CG 2.87Å; L229-E233 PolarHBondContact O-N 3.39Å; K230-E233 WeakPolarHBondContact CD-OE2 3.34Å; K230-E233 IonicContact NZ-OE1 3.46Å; K230-E233 PolarHBondContact NZ-OE1 3.26Å; K230-E233 IonicContact NZ-OE2 3.59Å; K230-E233 PolarHBondContact NZ-OE2 3.48Å; K230-E233 PolarHBondContact O-N 3.18Å; E233-T235 VanDerWaalsContact C-N 3.31Å; E233-T235 PolarHBondContact O-N 3.17Å; E233-K236 WeakPolarHBondContact O-CB 3.32Å; E233-K236 PolarHBondContact O-N 3.29Å; E233-L237 WeakPolarHBondContact O-CG 3.41Å; E233-L237 PolarHBondContact O-N 3.28Å |
| 234 | A | 92.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 81 Ų | 81 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | K230 E231 V232 K236 L237 K238 | K230-A234 WeakPolarHBondContact O-CB 3.28Å; K230-A234 PolarHBondContact O-N 3.1Å; E231-A234 PolarHBondContact O-N 3.45Å; V232-A234 VanDerWaalsContact C-N 3.33Å; V232-A234 PolarHBondContact O-N 3.17Å; A234-K236 VanDerWaalsContact C-N 3.33Å; A234-L237 PolarHBondContact O-N 3.32Å; A234-K238 WeakPolarHBondContact O-CB 3.49Å; A234-K238 VanDerWaalsContact O-CG 3.29Å; A234-K238 WeakPolarHBondContact O-CG 3.44Å; A234-K238 PolarHBondContact O-N 3.37Å |
| 235 | T | 92.5 | Very high | 93.8 | Very high | 70 Ų | 70 | 80.5 Ų | 80.5 | 43% | 0.429 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 174.1 | 67 | 0 | 0 | 0 | 0 | 112.6 | E231 V232 E233 K239 | E231-T235 WeakPolarHBondContact O-CG2 3.38Å; E231-T235 PolarHBondContact O-N 3.44Å; V232-T235 PolarHBondContact O-N 3.02Å; V232-T235 VanDerWaalsContact O-N 3.17Å; V232-T235 PolarHBondContact O-OG1 3.27Å; E233-T235 VanDerWaalsContact C-N 3.31Å; E233-T235 PolarHBondContact O-N 3.17Å; T235-K239 WeakPolarHBondContact O-CG 3.45Å; T235-K239 PolarHBondContact O-N 3.33Å; T235-K239 VanDerWaalsContact O-N 3.12Å |
| 236 | K | 95.3 | Very high | 93.9 | Very high | 117 Ų | 117 | 80.5 Ų | 80.5 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.5 | -49.1 | 174.9 | -68.8 | 172.3 | 179.9 | 173.3 | 0 | 110.9 | V232 E233 A234 K238 K239 E240 | V232-K236 HydrophobicContact CG1-CD 4.44Å; V232-K236 WeakPolarHBondContact O-CG 3.4Å; V232-K236 PolarHBondContact O-N 3.47Å; E233-K236 WeakPolarHBondContact O-CB 3.32Å; E233-K236 PolarHBondContact O-N 3.29Å; A234-K236 VanDerWaalsContact C-N 3.33Å; K236-K238 VanDerWaalsContact C-N 3.29Å; K236-K238 PolarHBondContact O-N 2.68Å; K236-K239 WeakPolarHBondContact O-CB 3.39Å; K236-K239 PolarHBondContact O-N 3.11Å; K236-K239 VanDerWaalsContact O-N 3.12Å; K236-E240 WeakPolarHBondContact O-CG 3.48Å; K236-E240 PolarHBondContact O-N 3.14Å |
| 237 | L | 93.9 | Very high | 93.8 | Very high | 26 Ų | 26 | 79 Ų | 79 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 178.2 | -70 | 173.4 | 0 | 0 | 0 | 112 | E233 A234 E240 Q241 N394 A397 Q398 | E233-L237 WeakPolarHBondContact O-CG 3.41Å; E233-L237 PolarHBondContact O-N 3.28Å; A234-L237 PolarHBondContact O-N 3.32Å; L237-E240 PolarHBondContact O-N 3.34Å; L237-Q241 WeakPolarHBondContact O-CB 3.43Å; L237-Q241 PolarHBondContact O-N 3.41Å; L237-N394 WeakPolarHBondContact CD2-ND2 3.49Å; L237-N394 PolarHBondContact O-ND2 3.08Å; L237-N394 PolarHBondContact O-OD1 3.11Å; L237-A397 HydrophobicContact CD1-CB 4.14Å; L237-A397 HydrophobicContact CD2-CB 4.03Å; L237-Q398 HydrophobicContact CB-CG 3.82Å; L237-Q398 HydrophobicContact CD1-CG 3.92Å; L237-Q398 HydrophobicContact CG-CG 4.45Å |
| 238 | K | 94.8 | Very high | 93.8 | Very high | 125 Ų | 125 | 83.1 Ų | 83.1 | 54% | 0.543 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 173.6 | -75.4 | 176.5 | 179.4 | -175.8 | 0 | 112.6 | A234 K236 E240 Q241 E242 | A234-K238 WeakPolarHBondContact O-CB 3.49Å; A234-K238 VanDerWaalsContact O-CG 3.29Å; A234-K238 WeakPolarHBondContact O-CG 3.44Å; A234-K238 PolarHBondContact O-N 3.37Å; K236-K238 VanDerWaalsContact C-N 3.29Å; K236-K238 PolarHBondContact O-N 2.68Å; K238-E240 VanDerWaalsContact C-N 3.31Å; K238-E240 PolarHBondContact O-N 2.91Å; K238-Q241 WeakPolarHBondContact O-CB 3.31Å; K238-Q241 PolarHBondContact O-N 3.23Å; K238-E242 WeakPolarHBondContact O-CG 3.39Å; K238-E242 PolarHBondContact O-N 3.22Å |
| 239 | K | 95.7 | Very high | 93.9 | Very high | 129 Ų | 129 | 85.4 Ų | 85.4 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.8 | -40 | 176.1 | -72.5 | 174.2 | -177.7 | -180 | 0 | 111.8 | T235 K236 E242 N243 | T235-K239 WeakPolarHBondContact O-CG 3.45Å; T235-K239 PolarHBondContact O-N 3.33Å; T235-K239 VanDerWaalsContact O-N 3.12Å; K236-K239 WeakPolarHBondContact O-CB 3.39Å; K236-K239 PolarHBondContact O-N 3.11Å; K236-K239 VanDerWaalsContact O-N 3.12Å; K239-E242 PolarHBondContact O-N 3.26Å; K239-N243 WeakPolarHBondContact O-CB 3.43Å; K239-N243 PolarHBondContact O-N 3.09Å; K239-N243 PolarHBondContact O-ND2 3.13Å |
| 240 | E | 94.6 | Very high | 94 | Very high | 98 Ų | 98 | 85.9 Ų | 85.9 | 46% | 0.458 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.5 | -73.2 | 171.1 | -169.2 | 0 | 0 | 111.7 | K236 L237 K238 E242 N243 L244 N394 | K236-E240 WeakPolarHBondContact O-CG 3.48Å; K236-E240 PolarHBondContact O-N 3.14Å; L237-E240 PolarHBondContact O-N 3.34Å; K238-E240 VanDerWaalsContact C-N 3.31Å; K238-E240 PolarHBondContact O-N 2.91Å; E240-E242 PolarHBondContact O-N 3.27Å; E240-N243 PolarHBondContact O-N 3.49Å; E240-L244 VanDerWaalsContact O-CG 3.32Å; E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 2.97Å; E240-N394 WeakPolarHBondContact CB-ND2 3.33Å; E240-N394 PolarHBondContact OE2-ND2 3.29Å |
| 241 | Q | 92.6 | Very high | 94.1 | Very high | 64 Ų | 64 | 84.3 Ų | 84.3 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 174.9 | -173.2 | -178.8 | 6.4 | 0 | 0 | 111.7 | L237 K238 N243 L244 L245 | L237-Q241 WeakPolarHBondContact O-CB 3.43Å; L237-Q241 PolarHBondContact O-N 3.41Å; K238-Q241 WeakPolarHBondContact O-CB 3.31Å; K238-Q241 PolarHBondContact O-N 3.23Å; Q241-N243 VanDerWaalsContact C-N 3.31Å; Q241-N243 PolarHBondContact O-N 3.3Å; Q241-L244 PolarHBondContact O-N 3.34Å; Q241-L245 HydrophobicContact CG-CD1 4.46Å; Q241-L245 WeakPolarHBondContact O-CG 3.34Å; Q241-L245 PolarHBondContact O-N 2.86Å |
| 242 | E | 95.5 | Very high | 94.2 | Very high | 109 Ų | 109 | 83.2 Ų | 83.2 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 175.3 | -72.9 | 173.3 | -168.8 | 0 | 0 | 112 | K238 K239 E240 L245 K246 | K238-E242 WeakPolarHBondContact O-CG 3.39Å; K238-E242 PolarHBondContact O-N 3.22Å; K239-E242 PolarHBondContact O-N 3.26Å; E240-E242 PolarHBondContact O-N 3.27Å; E242-L245 PolarHBondContact O-N 3.33Å; E242-K246 WeakPolarHBondContact O-CG 3.34Å; E242-K246 PolarHBondContact O-N 3.5Å |
| 243 | N | 96.6 | Very high | 94.3 | Very high | 80 Ų | 80 | 87.5 Ų | 87.5 | 43% | 0.428 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 177.6 | -69.9 | -24.3 | 0 | 0 | 0 | 112.1 | K239 E240 Q241 L245 K246 Q247 | K239-N243 WeakPolarHBondContact O-CB 3.43Å; K239-N243 PolarHBondContact O-N 3.09Å; K239-N243 PolarHBondContact O-ND2 3.13Å; E240-N243 PolarHBondContact O-N 3.49Å; Q241-N243 VanDerWaalsContact C-N 3.31Å; Q241-N243 PolarHBondContact O-N 3.3Å; N243-L245 VanDerWaalsContact C-N 3.33Å; N243-K246 PolarHBondContact O-N 3.42Å; N243-Q247 WeakPolarHBondContact O-CG 3.41Å; N243-Q247 PolarHBondContact O-N 2.88Å |
| 244 | L | 94.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 88.6 Ų | 88.6 | 9% | 0.094 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 175.2 | -69.9 | 169.1 | 0 | 0 | 0 | 111.7 | E240 Q241 Q247 R248 I387 K390 I391 | E240-L244 VanDerWaalsContact O-CG 3.32Å; E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 2.97Å; Q241-L244 PolarHBondContact O-N 3.34Å; L244-Q247 PolarHBondContact O-N 3.04Å; L244-R248 PolarHBondContact O-N 3.47Å; L244-I387 HydrophobicContact CB-CG2 4.44Å; L244-K390 HydrophobicContact CD1-CB 3.81Å; L244-K390 HydrophobicContact CD2-CB 3.79Å; L244-K390 HydrophobicContact CD2-CD 3.94Å; L244-K390 HydrophobicContact CG-CB 4.48Å; L244-I391 HydrophobicContact CB-CD1 4.25Å; L244-I391 HydrophobicContact CB-CG1 3.74Å; L244-I391 HydrophobicContact CD1-CG1 3.94Å; L244-I391 HydrophobicContact CG-CG1 4.43Å |
| 245 | L | 94.4 | Very high | 94.2 | Very high | 68 Ų | 68 | 88.8 Ų | 88.8 | 36% | 0.356 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 173.1 | -70.2 | 173.9 | 0 | 0 | 0 | 111.2 | Q241 E242 N243 Q247 R248 W249 I391 | Q241-L245 HydrophobicContact CG-CD1 4.46Å; Q241-L245 WeakPolarHBondContact O-CG 3.34Å; Q241-L245 PolarHBondContact O-N 2.86Å; E242-L245 PolarHBondContact O-N 3.33Å; N243-L245 VanDerWaalsContact C-N 3.33Å; L245-Q247 VanDerWaalsContact C-N 3.32Å; L245-Q247 PolarHBondContact O-N 2.95Å; L245-R248 WeakPolarHBondContact O-CB 3.49Å; L245-R248 PolarHBondContact O-N 3.38Å; L245-R248 VanDerWaalsContact O-N 3.12Å; L245-W249 PolarHBondContact O-N 3.39Å; L245-I391 HydrophobicContact CD2-CD1 4.29Å |
| 246 | K | 95.8 | Very high | 94.2 | Very high | 115 Ų | 115 | 90.8 Ų | 90.8 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 173.8 | -71.5 | 170.3 | -172.6 | 167.8 | 0 | 111.8 | E242 N243 R248 W249 E250 | E242-K246 WeakPolarHBondContact O-CG 3.34Å; E242-K246 PolarHBondContact O-N 3.5Å; N243-K246 PolarHBondContact O-N 3.42Å; K246-R248 VanDerWaalsContact C-N 3.3Å; K246-R248 PolarHBondContact O-N 2.92Å; K246-W249 PolarHBondContact O-N 2.88Å; K246-E250 WeakPolarHBondContact O-CB 3.33Å; K246-E250 VanDerWaalsContact O-CG 3.3Å; K246-E250 WeakPolarHBondContact O-CG 3.28Å; K246-E250 PolarHBondContact O-N 3.18Å |
| 247 | Q | 92.6 | Very high | 94 | Very high | 65 Ų | 65 | 88.6 Ų | 88.6 | 30% | 0.304 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 177 | -71 | 175.2 | 6.4 | 0 | 0 | 112.5 | N243 L244 L245 L251 I387 | N243-Q247 WeakPolarHBondContact O-CG 3.41Å; N243-Q247 PolarHBondContact O-N 2.88Å; L244-Q247 PolarHBondContact O-N 3.04Å; L245-Q247 VanDerWaalsContact C-N 3.32Å; L245-Q247 PolarHBondContact O-N 2.95Å; Q247-L251 WeakPolarHBondContact O-CG 3.3Å; Q247-L251 PolarHBondContact O-N 2.91Å; Q247-L251 VanDerWaalsContact O-N 3.07Å; Q247-I387 HydrophobicContact CB-CD1 3.89Å |
| 248 | R | 94 | Very high | 93.8 | Very high | 100 Ų | 100 | 90.3 Ų | 90.3 | 38% | 0.377 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 175.3 | -177.5 | 178.5 | 167.3 | 174.3 | 1.5 | 111.5 | L244 L245 K246 E250 L251 E252 I387 | L244-R248 PolarHBondContact O-N 3.47Å; L245-R248 WeakPolarHBondContact O-CB 3.49Å; L245-R248 PolarHBondContact O-N 3.38Å; L245-R248 VanDerWaalsContact O-N 3.12Å; K246-R248 VanDerWaalsContact C-N 3.3Å; K246-R248 PolarHBondContact O-N 2.92Å; R248-E250 VanDerWaalsContact C-N 3.34Å; R248-L251 PolarHBondContact O-N 3.47Å; R248-E252 WeakPolarHBondContact CG-OE1 3.5Å; R248-E252 IonicContact CZ-OE1 2.82Å; R248-E252 IonicContact NE-OE1 2.77Å; R248-E252 PolarHBondContact NE-OE1 2.9Å; R248-E252 IonicContact NH2-OE1 3.93Å; R248-E252 PolarHBondContact NH2-OE1 3.47Å; R248-E252 WeakPolarHBondContact O-CG 3.48Å; R248-E252 PolarHBondContact O-N 3.46Å; R248-I387 HydrophobicContact CB-CG2 4.16Å |
| 249 | W | 94.5 | Very high | 93.6 | Very high | 182 Ų | 182 | 90.5 Ų | 90.5 | 69% | 0.689 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.9 | -38.7 | 179 | -73.9 | 46.6 | 0 | 0 | 0 | 111.7 | L245 K246 L251 E252 R253 | L245-W249 PolarHBondContact O-N 3.39Å; K246-W249 PolarHBondContact O-N 2.88Å; W249-L251 VanDerWaalsContact C-N 3.31Å; W249-L251 PolarHBondContact O-N 2.72Å; W249-E252 PolarHBondContact O-N 3.37Å; W249-R253 VanDerWaalsContact O-CB 3.31Å; W249-R253 WeakPolarHBondContact O-CB 3.36Å; W249-R253 PolarHBondContact O-N 2.82Å |
| 250 | E | 95.3 | Very high | 93.4 | Very high | 119 Ų | 119 | 90.6 Ų | 90.6 | 56% | 0.556 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.4 | -41.1 | 173.3 | -74.5 | 168.2 | -173.1 | 0 | 0 | 111.5 | K246 R248 R253 L254 | K246-E250 WeakPolarHBondContact O-CB 3.33Å; K246-E250 VanDerWaalsContact O-CG 3.3Å; K246-E250 WeakPolarHBondContact O-CG 3.28Å; K246-E250 PolarHBondContact O-N 3.18Å; R248-E250 VanDerWaalsContact C-N 3.34Å; E250-R253 PolarHBondContact O-N 2.99Å; E250-L254 VanDerWaalsContact O-CG 3.3Å; E250-L254 WeakPolarHBondContact O-CG 3.28Å; E250-L254 PolarHBondContact O-N 3.44Å |
| 251 | L | 94 | Very high | 93.1 | Very high | 25 Ų | 25 | 91 Ų | 91 | 13% | 0.131 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.1 | -45 | 175.5 | -72.2 | 170.7 | 0 | 0 | 0 | 112.8 | Q247 R248 W249 R253 L254 E255 L380 R383 I387 | Q247-L251 WeakPolarHBondContact O-CG 3.3Å; Q247-L251 PolarHBondContact O-N 2.91Å; Q247-L251 VanDerWaalsContact O-N 3.07Å; R248-L251 PolarHBondContact O-N 3.47Å; W249-L251 VanDerWaalsContact C-N 3.31Å; W249-L251 PolarHBondContact O-N 2.72Å; L251-R253 PolarHBondContact O-N 2.83Å; L251-L254 PolarHBondContact O-N 3.28Å; L251-L254 VanDerWaalsContact O-N 3.15Å; L251-E255 WeakPolarHBondContact O-CG 3.46Å; L251-E255 PolarHBondContact O-N 3.39Å; L251-L380 HydrophobicContact CD2-CD2 4.41Å; L251-R383 HydrophobicContact CD1-CB 4.25Å; L251-R383 HydrophobicContact CD1-CG 3.45Å; L251-R383 VanDerWaalsContact CD1-CG 3.45Å; L251-R383 HydrophobicContact CD2-CG 4.1Å; L251-R383 HydrophobicContact CG-CG 4.41Å; L251-I387 HydrophobicContact CD1-CD1 3.28Å; L251-I387 HydrophobicContact CG-CD1 4.45Å |
| 252 | E | 92.4 | Very high | 92.8 | Very high | 65 Ų | 65 | 91 Ų | 91 | 30% | 0.304 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 175.9 | -73 | 171.4 | -174 | 0 | 0 | 110.3 | R248 W249 E255 E256 | R248-E252 WeakPolarHBondContact CG-OE1 3.5Å; R248-E252 IonicContact CZ-OE1 2.82Å; R248-E252 IonicContact NE-OE1 2.77Å; R248-E252 PolarHBondContact NE-OE1 2.9Å; R248-E252 IonicContact NH2-OE1 3.93Å; R248-E252 PolarHBondContact NH2-OE1 3.47Å; R248-E252 WeakPolarHBondContact O-CG 3.48Å; R248-E252 PolarHBondContact O-N 3.46Å; W249-E252 PolarHBondContact O-N 3.37Å; E252-E255 WeakPolarHBondContact O-CB 3.39Å; E252-E255 PolarHBondContact O-N 2.92Å; E252-E256 WeakPolarHBondContact O-CG 3.39Å; E252-E256 PolarHBondContact O-N 3.23Å |
| 253 | R | 95.4 | Very high | 92.6 | Very high | 160 Ų | 160 | 87.7 Ų | 87.7 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.3 | -46.5 | 173.5 | -178.4 | -175.5 | 164 | -176 | -4.3 | 112.5 | W249 E250 L251 E255 E256 E257 | W249-R253 VanDerWaalsContact O-CB 3.31Å; W249-R253 WeakPolarHBondContact O-CB 3.36Å; W249-R253 PolarHBondContact O-N 2.82Å; E250-R253 PolarHBondContact O-N 2.99Å; L251-R253 PolarHBondContact O-N 2.83Å; R253-E255 VanDerWaalsContact C-N 3.29Å; R253-E255 PolarHBondContact O-N 2.81Å; R253-E256 PolarHBondContact O-N 3.11Å; R253-E257 HydrophobicContact CG-CG 4.47Å; R253-E257 IonicContact CZ-OE1 3.69Å; R253-E257 VanDerWaalsContact CZ-OE1 3.31Å; R253-E257 IonicContact NE-OE1 3.63Å; R253-E257 PolarHBondContact NE-OE1 3.34Å; R253-E257 IonicContact NH2-OE1 3.55Å; R253-E257 PolarHBondContact NH2-OE1 2.87Å; R253-E257 WeakPolarHBondContact O-CB 3.29Å; R253-E257 WeakPolarHBondContact O-CG 3.41Å; R253-E257 PolarHBondContact O-N 2.82Å |
| 254 | L | 92.4 | Very high | 92.4 | Very high | 98 Ų | 98 | 90.7 Ų | 90.7 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 177.9 | -72.7 | 171.6 | 0 | 0 | 0 | 111.9 | E250 L251 R258 | E250-L254 VanDerWaalsContact O-CG 3.3Å; E250-L254 WeakPolarHBondContact O-CG 3.28Å; E250-L254 PolarHBondContact O-N 3.44Å; L251-L254 PolarHBondContact O-N 3.28Å; L251-L254 VanDerWaalsContact O-N 3.15Å; L254-R258 WeakPolarHBondContact O-CB 3.45Å; L254-R258 PolarHBondContact O-N 3.08Å |
| 255 | E | 91.4 | Very high | 92 | Very high | 32 Ų | 32 | 97.1 Ų | 97.1 | 15% | 0.15 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 173.8 | -77 | 176.6 | -156.5 | 0 | 0 | 112.5 | L251 E252 R253 R258 K259 L380 Q384 | L251-E255 WeakPolarHBondContact O-CG 3.46Å; L251-E255 PolarHBondContact O-N 3.39Å; E252-E255 WeakPolarHBondContact O-CB 3.39Å; E252-E255 PolarHBondContact O-N 2.92Å; R253-E255 VanDerWaalsContact C-N 3.29Å; R253-E255 PolarHBondContact O-N 2.81Å; E255-R258 PolarHBondContact O-N 3.26Å; E255-K259 WeakPolarHBondContact O-CG 3.36Å; E255-K259 PolarHBondContact O-N 2.91Å; E255-L380 HydrophobicContact CG-CD1 3.71Å; E255-L380 HydrophobicContact CG-CD2 3.92Å; E255-L380 HydrophobicContact CG-CG 4.27Å; E255-Q384 PolarHBondContact OE1-NE2 2.73Å; E255-Q384 PolarHBondContact OE2-NE2 3.21Å; E255-Q384 VanDerWaalsContact OE2-NE2 3.12Å |
| 256 | E | 91.7 | Very high | 91.7 | Very high | 111 Ų | 111 | 99.5 Ų | 99.5 | 52% | 0.519 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 175.6 | -73.6 | 176.5 | 179.8 | 0 | 0 | 112.2 | E252 R253 R258 K259 Q260 | E252-E256 WeakPolarHBondContact O-CG 3.39Å; E252-E256 PolarHBondContact O-N 3.23Å; R253-E256 PolarHBondContact O-N 3.11Å; E256-R258 PolarHBondContact O-N 2.9Å; E256-K259 PolarHBondContact O-N 2.98Å; E256-K259 VanDerWaalsContact O-N 3.13Å; E256-Q260 VanDerWaalsContact O-CG 3.31Å; E256-Q260 WeakPolarHBondContact O-CG 3.28Å; E256-Q260 PolarHBondContact O-N 3.27Å |
| 257 | E | 91.8 | Very high | 91.4 | Very high | 72 Ų | 72 | 101.4 Ų | 101.4 | 34% | 0.336 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -55.7 | -41.6 | 175 | -75.1 | 177 | -177.5 | 0 | 0 | 110.4 | R253 Q260 M261 | R253-E257 HydrophobicContact CG-CG 4.47Å; R253-E257 IonicContact CZ-OE1 3.69Å; R253-E257 VanDerWaalsContact CZ-OE1 3.31Å; R253-E257 IonicContact NE-OE1 3.63Å; R253-E257 PolarHBondContact NE-OE1 3.34Å; R253-E257 IonicContact NH2-OE1 3.55Å; R253-E257 PolarHBondContact NH2-OE1 2.87Å; R253-E257 WeakPolarHBondContact O-CB 3.29Å; R253-E257 WeakPolarHBondContact O-CG 3.41Å; R253-E257 PolarHBondContact O-N 2.82Å; E257-Q260 PolarHBondContact O-N 2.85Å; E257-M261 VanDerWaalsContact O-CG 3.27Å; E257-M261 WeakPolarHBondContact O-CG 3.46Å; E257-M261 PolarHBondContact O-N 3.4Å |
| 258 | R | 89.9 | Confident | 91.3 | Very high | 61 Ų | 61 | 100 Ų | 100 | 23% | 0.23 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64 | -48.2 | 174.7 | -177.5 | -179.1 | 171.9 | -170.4 | 3.1 | 112.7 | L254 E255 E256 Q260 M261 E262 D373 | L254-R258 WeakPolarHBondContact O-CB 3.45Å; L254-R258 PolarHBondContact O-N 3.08Å; E255-R258 PolarHBondContact O-N 3.26Å; E256-R258 PolarHBondContact O-N 2.9Å; R258-Q260 PolarHBondContact O-N 2.94Å; R258-M261 WeakPolarHBondContact O-CB 3.37Å; R258-M261 PolarHBondContact O-N 3.09Å; R258-M261 VanDerWaalsContact O-N 3.11Å; R258-E262 WeakPolarHBondContact CG-OE1 3.46Å; R258-E262 IonicContact CZ-OE1 3.66Å; R258-E262 IonicContact NE-OE1 3.89Å; R258-E262 PolarHBondContact NE-OE1 2.75Å; R258-E262 IonicContact NH2-OE1 3.45Å; R258-E262 WeakPolarHBondContact O-CG 3.16Å; R258-E262 PolarHBondContact O-N 3.47Å; R258-D373 IonicContact CZ-OD1 2.72Å; R258-D373 IonicContact NH2-OD1 3.71Å; R258-D373 PolarHBondContact NH2-OD1 3.33Å |
| 259 | K | 89.8 | Confident | 91 | Very high | 130 Ų | 130 | 100.1 Ų | 100.1 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -58.1 | -38.9 | 177 | -73.6 | 170.1 | -175.4 | 167.9 | 0 | 111.5 | E255 E256 E262 A263 | E255-K259 WeakPolarHBondContact O-CG 3.36Å; E255-K259 PolarHBondContact O-N 2.91Å; E256-K259 PolarHBondContact O-N 2.98Å; E256-K259 VanDerWaalsContact O-N 3.13Å; K259-E262 PolarHBondContact O-N 3.36Å; K259-A263 WeakPolarHBondContact O-CB 3.25Å; K259-A263 PolarHBondContact O-N 3.21Å |
| 260 | Q | 91.9 | Very high | 90.8 | Very high | 130 Ų | 130 | 96.8 Ų | 96.8 | 61% | 0.607 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 175.3 | -69.9 | 175.7 | 15.4 | 0 | 0 | 111.8 | E256 E257 R258 A263 F264 | E256-Q260 VanDerWaalsContact O-CG 3.31Å; E256-Q260 WeakPolarHBondContact O-CG 3.28Å; E256-Q260 PolarHBondContact O-N 3.27Å; E257-Q260 PolarHBondContact O-N 2.85Å; R258-Q260 PolarHBondContact O-N 2.94Å; Q260-A263 PolarHBondContact O-N 2.92Å; Q260-F264 WeakPolarHBondContact O-CB 3.45Å; Q260-F264 PolarHBondContact O-N 2.83Å |
| 261 | M | 87.4 | Confident | 90.5 | Very high | 107 Ų | 107 | 92.3 Ų | 92.3 | 53% | 0.527 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 176.3 | -71.4 | -64.2 | -72.7 | 0 | 0 | 112.2 | E257 R258 F264 R265 | E257-M261 VanDerWaalsContact O-CG 3.27Å; E257-M261 WeakPolarHBondContact O-CG 3.46Å; E257-M261 PolarHBondContact O-N 3.4Å; R258-M261 WeakPolarHBondContact O-CB 3.37Å; R258-M261 PolarHBondContact O-N 3.09Å; R258-M261 VanDerWaalsContact O-N 3.11Å; M261-F264 PolarHBondContact O-N 3.38Å; M261-R265 VanDerWaalsContact O-CG 3.29Å; M261-R265 WeakPolarHBondContact O-CG 3.49Å; M261-R265 PolarHBondContact O-N 3.39Å |
| 262 | E | 87.6 | Confident | 90.3 | Very high | 63 Ų | 63 | 100 Ų | 100 | 29% | 0.294 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 174.1 | -72.8 | 170.4 | -168.2 | 0 | 0 | 111.5 | R258 K259 F264 R265 Q266 | R258-E262 WeakPolarHBondContact CG-OE1 3.46Å; R258-E262 IonicContact CZ-OE1 3.66Å; R258-E262 IonicContact NE-OE1 3.89Å; R258-E262 PolarHBondContact NE-OE1 2.75Å; R258-E262 IonicContact NH2-OE1 3.45Å; R258-E262 WeakPolarHBondContact O-CG 3.16Å; R258-E262 PolarHBondContact O-N 3.47Å; K259-E262 PolarHBondContact O-N 3.36Å; E262-F264 VanDerWaalsContact C-N 3.34Å; E262-F264 PolarHBondContact O-N 3.26Å; E262-R265 WeakPolarHBondContact O-CB 3.34Å; E262-R265 PolarHBondContact O-N 3.14Å; E262-Q266 WeakPolarHBondContact O-CG 3.45Å; E262-Q266 PolarHBondContact O-N 2.91Å |
| 263 | A | 91.6 | Very high | 89.9 | Confident | 40 Ų | 40 | 102.6 Ų | 102.6 | 33% | 0.331 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K259 Q260 Q266 K267 | K259-A263 WeakPolarHBondContact O-CB 3.25Å; K259-A263 PolarHBondContact O-N 3.21Å; Q260-A263 PolarHBondContact O-N 2.92Å; A263-Q266 PolarHBondContact O-N 3.45Å; A263-K267 WeakPolarHBondContact O-CG 3.41Å; A263-K267 PolarHBondContact O-N 2.93Å |
| 264 | F | 91.1 | Very high | 89.6 | Confident | 143 Ų | 143 | 100 Ų | 100 | 63% | 0.627 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 175 | -176.4 | -95.6 | 0 | 0 | 0 | 111.6 | Q260 M261 E262 K267 A268 | Q260-F264 WeakPolarHBondContact O-CB 3.45Å; Q260-F264 PolarHBondContact O-N 2.83Å; M261-F264 PolarHBondContact O-N 3.38Å; E262-F264 VanDerWaalsContact C-N 3.34Å; E262-F264 PolarHBondContact O-N 3.26Å; F264-K267 PolarHBondContact O-N 3.01Å; F264-A268 PolarHBondContact O-N 3.42Å |
| 265 | R | 87.6 | Confident | 89.2 | Confident | 154 Ų | 154 | 104.1 Ų | 104.1 | 58% | 0.581 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.5 | -47.3 | 175 | -72.6 | 171.8 | -177.5 | 178.9 | 2.3 | 111.6 | M261 E262 K267 A268 E269 | M261-R265 VanDerWaalsContact O-CG 3.29Å; M261-R265 WeakPolarHBondContact O-CG 3.49Å; M261-R265 PolarHBondContact O-N 3.39Å; E262-R265 WeakPolarHBondContact O-CB 3.34Å; E262-R265 PolarHBondContact O-N 3.14Å; R265-K267 VanDerWaalsContact C-N 3.34Å; R265-K267 PolarHBondContact O-N 2.93Å; R265-A268 WeakPolarHBondContact O-CB 3.31Å; R265-A268 PolarHBondContact O-N 3.33Å; R265-A268 VanDerWaalsContact O-N 3.07Å; R265-E269 WeakPolarHBondContact O-CG 3.39Å; R265-E269 PolarHBondContact O-N 3.24Å |
| 266 | Q | 88.1 | Confident | 89 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 176.6 | -70.4 | 172.9 | 6.4 | 0 | 0 | 111.8 | E262 A263 A268 E269 L270 | E262-Q266 WeakPolarHBondContact O-CG 3.45Å; E262-Q266 PolarHBondContact O-N 2.91Å; A263-Q266 PolarHBondContact O-N 3.45Å; Q266-A268 VanDerWaalsContact C-N 3.31Å; Q266-A268 PolarHBondContact O-N 2.79Å; Q266-E269 PolarHBondContact O-N 2.95Å; Q266-L270 WeakPolarHBondContact O-CG 3.45Å; Q266-L270 PolarHBondContact O-N 3.38Å |
| 267 | K | 90 | Very high | 88.5 | Confident | 155 Ų | 155 | 108.2 Ų | 108.2 | 67% | 0.674 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -39.8 | 174.3 | -73.7 | 176 | -178.3 | 179.7 | 0 | 112.2 | A263 F264 R265 G271 | A263-K267 WeakPolarHBondContact O-CG 3.41Å; A263-K267 PolarHBondContact O-N 2.93Å; F264-K267 PolarHBondContact O-N 3.01Å; R265-K267 VanDerWaalsContact C-N 3.34Å; R265-K267 PolarHBondContact O-N 2.93Å; K267-G271 PolarHBondContact O-N 3.17Å |
| 268 | A | 90.3 | Very high | 88 | Confident | 37 Ų | 37 | 111.4 Ų | 111.4 | 31% | 0.306 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F264 R265 Q266 G271 R272 | F264-A268 PolarHBondContact O-N 3.42Å; R265-A268 WeakPolarHBondContact O-CB 3.31Å; R265-A268 PolarHBondContact O-N 3.33Å; R265-A268 VanDerWaalsContact O-N 3.07Å; Q266-A268 VanDerWaalsContact C-N 3.31Å; Q266-A268 PolarHBondContact O-N 2.79Å; A268-G271 PolarHBondContact O-N 2.94Å; A268-R272 WeakPolarHBondContact O-CG 3.4Å; A268-R272 PolarHBondContact O-N 3.21Å |
| 269 | E | 86.4 | Confident | 87.8 | Confident | 101 Ų | 101 | 112.6 Ų | 112.6 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -49 | 174.2 | -71.6 | 173.1 | 176.8 | 0 | 0 | 111.1 | R265 Q266 G271 R272 F273 R369 | R265-E269 WeakPolarHBondContact O-CG 3.39Å; R265-E269 PolarHBondContact O-N 3.24Å; Q266-E269 PolarHBondContact O-N 2.95Å; E269-G271 VanDerWaalsContact C-N 3.29Å; E269-G271 PolarHBondContact O-N 3.32Å; E269-R272 PolarHBondContact O-N 3.37Å; E269-R272 VanDerWaalsContact O-N 3.15Å; E269-F273 PolarHBondContact O-N 2.89Å; E269-R369 IonicContact OE1-NH1 2.73Å |
| 270 | L | 90.1 | Very high | 87.6 | Confident | 112 Ų | 112 | 107.9 Ų | 107.9 | 59% | 0.586 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59 | -41 | 173.4 | -68.9 | 172.4 | 0 | 0 | 0 | 111.9 | Q266 R272 F273 L274 | Q266-L270 WeakPolarHBondContact O-CG 3.45Å; Q266-L270 PolarHBondContact O-N 3.38Å; L270-R272 PolarHBondContact O-N 3.27Å; L270-F273 PolarHBondContact O-N 3.15Å; L270-L274 WeakPolarHBondContact O-CG 3.41Å; L270-L274 PolarHBondContact O-N 3.19Å |
| 271 | G | 90.3 | Very high | 87.2 | Confident | 26 Ų | 26 | 107.4 Ų | 107.4 | 27% | 0.268 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K267 A268 E269 R275 | K267-G271 PolarHBondContact O-N 3.17Å; A268-G271 PolarHBondContact O-N 2.94Å; E269-G271 VanDerWaalsContact C-N 3.29Å; E269-G271 PolarHBondContact O-N 3.32Å; G271-R275 VanDerWaalsContact O-CG 3.31Å; G271-R275 WeakPolarHBondContact O-CG 3.22Å; G271-R275 PolarHBondContact O-N 3.02Å; G271-R275 VanDerWaalsContact O-N 3.11Å |
| 272 | R | 88.8 | Confident | 86.9 | Confident | 185 Ų | 185 | 105.8 Ų | 105.8 | 70% | 0.698 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.5 | -44.2 | 174.2 | -69.2 | 177.9 | -147.8 | -135.6 | 5.9 | 111.4 | A268 E269 L270 R275 H276 | A268-R272 WeakPolarHBondContact O-CG 3.4Å; A268-R272 PolarHBondContact O-N 3.21Å; E269-R272 PolarHBondContact O-N 3.37Å; E269-R272 VanDerWaalsContact O-N 3.15Å; L270-R272 PolarHBondContact O-N 3.27Å; R272-R275 PolarHBondContact O-N 2.87Å; R272-H276 PolarHBondContact O-N 3.46Å |
| 273 | F | 83.7 | Confident | 86.5 | Confident | 121 Ų | 121 | 107.4 Ų | 107.4 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -47.9 | 178.2 | -179.6 | -98.6 | 0 | 0 | 0 | 111.9 | E269 L270 R275 H276 Q277 | E269-F273 PolarHBondContact O-N 2.89Å; L270-F273 PolarHBondContact O-N 3.15Å; F273-R275 PolarHBondContact O-N 3.32Å; F273-H276 WeakPolarHBondContact O-CB 3.46Å; F273-H276 PolarHBondContact O-N 3.22Å; F273-Q277 HydrophobicContact CD1-CG 4.47Å; F273-Q277 VanDerWaalsContact CE1-CD 3.44Å; F273-Q277 HydrophobicContact CE1-CG 4.15Å; F273-Q277 HydrophobicContact CZ-CG 4.32Å; F273-Q277 PolarHBondContact O-N 2.89Å |
| 274 | L | 90.6 | Very high | 86.1 | Confident | 106 Ų | 106 | 113.3 Ų | 113.3 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.4 | -41.5 | 177.3 | -69 | 172.8 | 0 | 0 | 0 | 112.5 | L270 H276 Q277 Y278 | L270-L274 WeakPolarHBondContact O-CG 3.41Å; L270-L274 PolarHBondContact O-N 3.19Å; L274-H276 VanDerWaalsContact C-N 3.33Å; L274-H276 PolarHBondContact O-N 2.81Å; L274-Q277 PolarHBondContact O-N 3.05Å; L274-Y278 WeakPolarHBondContact O-CB 3.27Å; L274-Y278 PolarHBondContact O-N 3.47Å |
| 275 | R | 84.3 | Confident | 85.7 | Confident | 183 Ų | 183 | 112.5 Ų | 112.5 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 174.7 | -73.9 | 175.1 | -169 | -177.7 | 2.9 | 111.7 | G271 R272 F273 Q277 Y278 N279 | G271-R275 VanDerWaalsContact O-CG 3.31Å; G271-R275 WeakPolarHBondContact O-CG 3.22Å; G271-R275 PolarHBondContact O-N 3.02Å; G271-R275 VanDerWaalsContact O-N 3.11Å; R272-R275 PolarHBondContact O-N 2.87Å; F273-R275 PolarHBondContact O-N 3.32Å; R275-Q277 VanDerWaalsContact C-N 3.34Å; R275-Q277 PolarHBondContact O-N 2.83Å; R275-Y278 PolarHBondContact O-N 2.84Å; R275-N279 VanDerWaalsContact O-CB 3.26Å; R275-N279 WeakPolarHBondContact O-CB 3.27Å; R275-N279 PolarHBondContact O-N 3.06Å; R275-N279 PolarHBondContact O-ND2 2.93Å |
| 276 | H | 86.1 | Confident | 85.4 | Confident | 139 Ų | 139 | 108.3 Ų | 108.3 | 64% | 0.644 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 175.4 | -173.2 | -34.4 | 0 | 0 | 0 | 110.9 | R272 F273 L274 N279 A280 | R272-H276 PolarHBondContact O-N 3.46Å; F273-H276 WeakPolarHBondContact O-CB 3.46Å; F273-H276 PolarHBondContact O-N 3.22Å; L274-H276 VanDerWaalsContact C-N 3.33Å; L274-H276 PolarHBondContact O-N 2.81Å; H276-N279 PolarHBondContact O-N 2.91Å; H276-A280 WeakPolarHBondContact O-CB 3.45Å; H276-A280 PolarHBondContact O-N 3Å |
| 277 | Q | 82 | Confident | 85.2 | Confident | 90 Ų | 90 | 107.7 Ų | 107.7 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 177.8 | -70.3 | -168 | -26.9 | 0 | 0 | 112.1 | F273 L274 R275 A280 Q281 | F273-Q277 HydrophobicContact CD1-CG 4.47Å; F273-Q277 VanDerWaalsContact CE1-CD 3.44Å; F273-Q277 HydrophobicContact CE1-CG 4.15Å; F273-Q277 HydrophobicContact CZ-CG 4.32Å; F273-Q277 PolarHBondContact O-N 2.89Å; L274-Q277 PolarHBondContact O-N 3.05Å; R275-Q277 VanDerWaalsContact C-N 3.34Å; R275-Q277 PolarHBondContact O-N 2.83Å; Q277-A280 PolarHBondContact O-N 2.84Å; Q277-Q281 WeakPolarHBondContact O-CG 3.49Å; Q277-Q281 PolarHBondContact O-N 2.95Å |
| 278 | Y | 80.4 | Confident | 84.9 | Confident | 140 Ų | 140 | 104.5 Ų | 104.5 | 55% | 0.549 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 178.4 | -175 | -108 | 0 | 0 | 0 | 112.1 | L274 R275 A280 Q281 L282 | L274-Y278 WeakPolarHBondContact O-CB 3.27Å; L274-Y278 PolarHBondContact O-N 3.47Å; R275-Y278 PolarHBondContact O-N 2.84Å; Y278-A280 VanDerWaalsContact C-N 3.31Å; Y278-A280 PolarHBondContact O-N 2.91Å; Y278-Q281 PolarHBondContact O-N 3.22Å; Y278-L282 HydrophobicContact CD1-CD1 3.74Å; Y278-L282 HydrophobicContact CD1-CG 4.28Å; Y278-L282 HydrophobicContact CE1-CD1 3.32Å; Y278-L282 HydrophobicContact CE1-CD2 4.5Å; Y278-L282 HydrophobicContact CE1-CG 3.91Å; Y278-L282 PolarHBondContact O-N 2.85Å |
| 279 | N | 85 | Confident | 84.5 | Confident | 85 Ų | 85 | 106.1 Ų | 106.1 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 174.8 | -71.5 | -14.2 | 0 | 0 | 0 | 111.8 | R275 H276 Q281 L282 N283 | R275-N279 VanDerWaalsContact O-CB 3.26Å; R275-N279 WeakPolarHBondContact O-CB 3.27Å; R275-N279 PolarHBondContact O-N 3.06Å; R275-N279 PolarHBondContact O-ND2 2.93Å; H276-N279 PolarHBondContact O-N 2.91Å; N279-Q281 VanDerWaalsContact C-N 3.35Å; N279-L282 PolarHBondContact O-N 3.16Å; N279-N283 WeakPolarHBondContact O-CB 3.42Å; N279-N283 PolarHBondContact O-N 3.32Å; N279-N283 PolarHBondContact O-ND2 2.95Å; N279-N283 PolarHBondContact O-OD1 3.49Å |
| 280 | A | 86.9 | Confident | 84.2 | Confident | 32 Ų | 32 | 106.8 Ų | 106.8 | 26% | 0.264 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | H276 Q277 Y278 R284 | H276-A280 WeakPolarHBondContact O-CB 3.45Å; H276-A280 PolarHBondContact O-N 3Å; Q277-A280 PolarHBondContact O-N 2.84Å; Y278-A280 VanDerWaalsContact C-N 3.31Å; Y278-A280 PolarHBondContact O-N 2.91Å; A280-R284 WeakPolarHBondContact O-CG 3.35Å; A280-R284 PolarHBondContact O-N 3.34Å; A280-R284 VanDerWaalsContact O-N 3.09Å |
| 281 | Q | 83.6 | Confident | 84.1 | Confident | 119 Ų | 119 | 107.5 Ų | 107.5 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.2 | -44 | 174.3 | -71.5 | 178.3 | -5 | 0 | 0 | 112.1 | Q277 Y278 N279 R284 R285 | Q277-Q281 WeakPolarHBondContact O-CG 3.49Å; Q277-Q281 PolarHBondContact O-N 2.95Å; Y278-Q281 PolarHBondContact O-N 3.22Å; N279-Q281 VanDerWaalsContact C-N 3.35Å; Q281-R284 WeakPolarHBondContact O-CB 3.38Å; Q281-R284 PolarHBondContact O-N 3.34Å; Q281-R285 PolarHBondContact O-N 2.85Å |
| 282 | L | 79.8 | Confident | 83.9 | Confident | 74 Ų | 74 | 111.1 Ų | 111.1 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 174.4 | -79.4 | 175.5 | 0 | 0 | 0 | 111.4 | Y278 N279 R284 R285 T286 | Y278-L282 HydrophobicContact CD1-CD1 3.74Å; Y278-L282 HydrophobicContact CD1-CG 4.28Å; Y278-L282 HydrophobicContact CE1-CD1 3.32Å; Y278-L282 HydrophobicContact CE1-CD2 4.5Å; Y278-L282 HydrophobicContact CE1-CG 3.91Å; Y278-L282 PolarHBondContact O-N 2.85Å; N279-L282 PolarHBondContact O-N 3.16Å; L282-R284 VanDerWaalsContact C-N 3.29Å; L282-R284 PolarHBondContact O-N 3.44Å; L282-R285 PolarHBondContact O-N 3.02Å; L282-T286 WeakPolarHBondContact O-CG2 3.17Å; L282-T286 PolarHBondContact O-N 2.91Å; L282-T286 PolarHBondContact O-OG1 3.16Å |
| 283 | N | 79.9 | Confident | 83.5 | Confident | 96 Ų | 96 | 107.6 Ų | 107.6 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 178.1 | -71.4 | -12.4 | 0 | 0 | 0 | 112.1 | N279 T286 Q287 | N279-N283 WeakPolarHBondContact O-CB 3.42Å; N279-N283 PolarHBondContact O-N 3.32Å; N279-N283 PolarHBondContact O-ND2 2.95Å; N279-N283 PolarHBondContact O-OD1 3.49Å; N283-T286 VanDerWaalsContact CA-OG1 3.28Å; N283-T286 WeakPolarHBondContact CA-OG1 3.39Å; N283-T286 PolarHBondContact O-N 3.23Å; N283-T286 PolarHBondContact O-OG1 3.48Å; N283-Q287 WeakPolarHBondContact O-CB 3.32Å; N283-Q287 WeakPolarHBondContact O-CG 3.31Å; N283-Q287 PolarHBondContact O-N 2.93Å |
| 284 | R | 83.3 | Confident | 83.5 | Confident | 164 Ų | 164 | 106.5 Ų | 106.5 | 62% | 0.619 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -42.6 | 172.9 | -72.1 | 172 | -174.8 | 174.7 | 1.3 | 111.8 | A280 Q281 L282 Q287 Q288 | A280-R284 WeakPolarHBondContact O-CG 3.35Å; A280-R284 PolarHBondContact O-N 3.34Å; A280-R284 VanDerWaalsContact O-N 3.09Å; Q281-R284 WeakPolarHBondContact O-CB 3.38Å; Q281-R284 PolarHBondContact O-N 3.34Å; L282-R284 VanDerWaalsContact C-N 3.29Å; L282-R284 PolarHBondContact O-N 3.44Å; R284-Q287 PolarHBondContact O-N 3.4Å; R284-Q288 WeakPolarHBondContact O-CG 3.35Å; R284-Q288 PolarHBondContact O-N 3.33Å |
| 285 | R | 82 | Confident | 83.1 | Confident | 127 Ų | 127 | 103.4 Ų | 103.4 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 178.3 | -174.5 | 59.8 | -179.5 | 154.6 | 6.7 | 112 | Q281 L282 Q288 I289 | Q281-R285 PolarHBondContact O-N 2.85Å; L282-R285 PolarHBondContact O-N 3.02Å; R285-Q288 PolarHBondContact O-N 2.99Å; R285-I289 HydrophobicContact CG-CD1 4.24Å; R285-I289 WeakPolarHBondContact O-CG1 3.45Å; R285-I289 PolarHBondContact O-N 3.34Å |
| 286 | T | 81.1 | Confident | 82.9 | Confident | 66 Ų | 66 | 99 Ų | 99 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.3 | -38 | 174.6 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | L282 N283 I289 Q290 | L282-T286 WeakPolarHBondContact O-CG2 3.17Å; L282-T286 PolarHBondContact O-N 2.91Å; L282-T286 PolarHBondContact O-OG1 3.16Å; N283-T286 VanDerWaalsContact CA-OG1 3.28Å; N283-T286 WeakPolarHBondContact CA-OG1 3.39Å; N283-T286 PolarHBondContact O-N 3.23Å; N283-T286 PolarHBondContact O-OG1 3.48Å; T286-I289 PolarHBondContact O-N 3.17Å; T286-Q290 WeakPolarHBondContact O-CB 3.24Å; T286-Q290 VanDerWaalsContact O-CG 3.29Å; T286-Q290 WeakPolarHBondContact O-CG 3.24Å; T286-Q290 PolarHBondContact O-N 3.28Å |
| 287 | Q | 85.3 | Confident | 82.6 | Confident | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173.4 | -77 | 169.8 | -17.2 | 0 | 0 | 111.4 | N283 R284 I289 Q290 E291 | N283-Q287 WeakPolarHBondContact O-CB 3.32Å; N283-Q287 WeakPolarHBondContact O-CG 3.31Å; N283-Q287 PolarHBondContact O-N 2.93Å; R284-Q287 PolarHBondContact O-N 3.4Å; Q287-I289 PolarHBondContact O-N 2.88Å; Q287-Q290 WeakPolarHBondContact O-CB 3.29Å; Q287-Q290 PolarHBondContact O-N 3.07Å; Q287-E291 WeakPolarHBondContact O-CG 3.39Å; Q287-E291 PolarHBondContact O-N 2.95Å |
| 288 | Q | 83.9 | Confident | 82.7 | Confident | 88 Ų | 88 | 103.3 Ų | 103.3 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 175 | -72.1 | 172.1 | -9.3 | 0 | 0 | 112.6 | R284 R285 Q290 E291 E292 | R284-Q288 WeakPolarHBondContact O-CG 3.35Å; R284-Q288 PolarHBondContact O-N 3.33Å; R285-Q288 PolarHBondContact O-N 2.99Å; Q288-Q290 VanDerWaalsContact C-N 3.32Å; Q288-Q290 PolarHBondContact O-N 2.86Å; Q288-E291 PolarHBondContact O-N 2.95Å; Q288-E292 WeakPolarHBondContact O-CG 3.44Å; Q288-E292 PolarHBondContact O-N 3.37Å |
| 289 | I | 82.1 | Confident | 82.7 | Confident | 70 Ų | 70 | 101.4 Ų | 101.4 | 36% | 0.359 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 177.4 | -66.9 | 166.6 | 0 | 0 | 0 | 110.8 | R285 T286 Q287 E292 L293 | R285-I289 HydrophobicContact CG-CD1 4.24Å; R285-I289 WeakPolarHBondContact O-CG1 3.45Å; R285-I289 PolarHBondContact O-N 3.34Å; T286-I289 PolarHBondContact O-N 3.17Å; Q287-I289 PolarHBondContact O-N 2.88Å; I289-E292 PolarHBondContact O-N 3.36Å; I289-L293 HydrophobicContact CG2-CD1 4.02Å; I289-L293 HydrophobicContact CG2-CG 4.36Å; I289-L293 WeakPolarHBondContact O-CB 3.34Å; I289-L293 VanDerWaalsContact O-CG 3.26Å; I289-L293 WeakPolarHBondContact O-CG 3.27Å; I289-L293 PolarHBondContact O-N 3.01Å |
| 290 | Q | 79.9 | Confident | 82.3 | Confident | 116 Ų | 116 | 102.6 Ų | 102.6 | 54% | 0.542 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 173.8 | -75.8 | 173.3 | -19 | 0 | 0 | 111.3 | T286 Q287 Q288 L293 E294 | T286-Q290 WeakPolarHBondContact O-CB 3.24Å; T286-Q290 VanDerWaalsContact O-CG 3.29Å; T286-Q290 WeakPolarHBondContact O-CG 3.24Å; T286-Q290 PolarHBondContact O-N 3.28Å; Q287-Q290 WeakPolarHBondContact O-CB 3.29Å; Q287-Q290 PolarHBondContact O-N 3.07Å; Q288-Q290 VanDerWaalsContact C-N 3.32Å; Q288-Q290 PolarHBondContact O-N 2.86Å; Q290-L293 PolarHBondContact O-N 3.2Å; Q290-E294 WeakPolarHBondContact O-CB 3.5Å; Q290-E294 WeakPolarHBondContact O-CG 3.49Å; Q290-E294 PolarHBondContact O-N 3.5Å |
| 291 | E | 87.3 | Confident | 81.9 | Confident | 126 Ų | 126 | 105 Ų | 105 | 59% | 0.589 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 175.6 | -71.3 | 169.9 | -175 | 0 | 0 | 112.3 | Q287 Q288 E294 A295 | Q287-E291 WeakPolarHBondContact O-CG 3.39Å; Q287-E291 PolarHBondContact O-N 2.95Å; Q288-E291 PolarHBondContact O-N 2.95Å; E291-E294 PolarHBondContact O-N 3.43Å; E291-A295 WeakPolarHBondContact O-CB 3.25Å; E291-A295 PolarHBondContact O-N 3.26Å |
| 292 | E | 85.3 | Confident | 81.6 | Confident | 103 Ų | 103 | 101.2 Ų | 101.2 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 174 | -73.3 | 169.6 | -170.5 | 0 | 0 | 111.1 | Q288 I289 E294 A295 D296 | Q288-E292 WeakPolarHBondContact O-CG 3.44Å; Q288-E292 PolarHBondContact O-N 3.37Å; I289-E292 PolarHBondContact O-N 3.36Å; E292-E294 VanDerWaalsContact C-N 3.34Å; E292-E294 PolarHBondContact O-N 2.75Å; E292-A295 WeakPolarHBondContact O-CB 3.42Å; E292-A295 PolarHBondContact O-N 3.49Å; E292-A295 VanDerWaalsContact O-N 3.15Å; E292-D296 PolarHBondContact O-N 3.22Å |
| 293 | L | 81.4 | Confident | 81.4 | Confident | 110 Ų | 110 | 102.1 Ų | 102.1 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65 | -34.8 | 177.4 | -70.9 | 173.4 | 0 | 0 | 0 | 112.8 | I289 Q290 R297 | I289-L293 HydrophobicContact CG2-CD1 4.02Å; I289-L293 HydrophobicContact CG2-CG 4.36Å; I289-L293 WeakPolarHBondContact O-CB 3.34Å; I289-L293 VanDerWaalsContact O-CG 3.26Å; I289-L293 WeakPolarHBondContact O-CG 3.27Å; I289-L293 PolarHBondContact O-N 3.01Å; Q290-L293 PolarHBondContact O-N 3.2Å; L293-R297 WeakPolarHBondContact O-CB 3.46Å; L293-R297 PolarHBondContact O-N 3.44Å |
| 294 | E | 84.4 | Confident | 81.1 | Confident | 98 Ų | 98 | 101.9 Ų | 101.9 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 172.6 | -79 | -176.8 | -169.1 | 0 | 0 | 111.9 | Q290 E291 E292 R297 R298 | Q290-E294 WeakPolarHBondContact O-CB 3.5Å; Q290-E294 WeakPolarHBondContact O-CG 3.49Å; Q290-E294 PolarHBondContact O-N 3.5Å; E291-E294 PolarHBondContact O-N 3.43Å; E292-E294 VanDerWaalsContact C-N 3.34Å; E292-E294 PolarHBondContact O-N 2.75Å; E294-R297 WeakPolarHBondContact O-CB 3.41Å; E294-R297 PolarHBondContact O-N 3.14Å; E294-R298 VanDerWaalsContact O-CG 3.26Å; E294-R298 WeakPolarHBondContact O-CG 3.29Å; E294-R298 PolarHBondContact O-N 2.91Å; E294-R298 IonicContact OE2-NH2 3.62Å |
| 295 | A | 80.3 | Confident | 80.4 | Confident | 41 Ų | 41 | 99.2 Ų | 99.2 | 34% | 0.339 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E291 E292 R297 R298 I299 | E291-A295 WeakPolarHBondContact O-CB 3.25Å; E291-A295 PolarHBondContact O-N 3.26Å; E292-A295 WeakPolarHBondContact O-CB 3.42Å; E292-A295 PolarHBondContact O-N 3.49Å; E292-A295 VanDerWaalsContact O-N 3.15Å; A295-R297 VanDerWaalsContact C-N 3.34Å; A295-R297 PolarHBondContact O-N 3.24Å; A295-R298 WeakPolarHBondContact O-CB 3.47Å; A295-R298 PolarHBondContact O-N 3.48Å; A295-R298 VanDerWaalsContact O-N 3.13Å; A295-I299 WeakPolarHBondContact O-CG1 3.3Å; A295-I299 PolarHBondContact O-N 2.9Å |
| 296 | D | 81.9 | Confident | 79.4 | Confident | 92 Ų | 92 | 99.6 Ų | 99.6 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 173.8 | -71.2 | -21 | 0 | 0 | 0 | 111.6 | E292 R298 I299 L300 | E292-D296 PolarHBondContact O-N 3.22Å; D296-R298 VanDerWaalsContact C-N 3.34Å; D296-R298 PolarHBondContact O-N 2.88Å; D296-I299 WeakPolarHBondContact O-CB 3.2Å; D296-I299 PolarHBondContact O-N 3.43Å; D296-L300 WeakPolarHBondContact O-CG 3.28Å; D296-L300 PolarHBondContact O-N 2.87Å |
| 297 | R | 79.9 | Confident | 78.2 | Confident | 159 Ų | 159 | 101.8 Ų | 101.8 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.6 | -43 | 172 | 178.4 | -179 | 175.3 | 152.7 | 1.8 | 111.6 | L293 E294 A295 I299 L300 Q301 | L293-R297 WeakPolarHBondContact O-CB 3.46Å; L293-R297 PolarHBondContact O-N 3.44Å; E294-R297 WeakPolarHBondContact O-CB 3.41Å; E294-R297 PolarHBondContact O-N 3.14Å; A295-R297 VanDerWaalsContact C-N 3.34Å; A295-R297 PolarHBondContact O-N 3.24Å; R297-I299 VanDerWaalsContact C-N 3.31Å; R297-I299 PolarHBondContact O-N 3Å; R297-L300 PolarHBondContact O-N 2.94Å; R297-Q301 HydrophobicContact CG-CG 4.46Å; R297-Q301 WeakPolarHBondContact O-CB 3.45Å; R297-Q301 VanDerWaalsContact O-CG 3.32Å; R297-Q301 WeakPolarHBondContact O-CG 3.35Å; R297-Q301 PolarHBondContact O-N 3.28Å |
| 298 | R | 83.1 | Confident | 76.9 | Confident | 160 Ų | 160 | 99.9 Ų | 99.9 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63 | -37.2 | 176.2 | -72.3 | 170.3 | -164.3 | 169.5 | 9 | 111.4 | E294 A295 D296 Q301 A302 | E294-R298 VanDerWaalsContact O-CG 3.26Å; E294-R298 WeakPolarHBondContact O-CG 3.29Å; E294-R298 PolarHBondContact O-N 2.91Å; E294-R298 IonicContact OE2-NH2 3.62Å; A295-R298 WeakPolarHBondContact O-CB 3.47Å; A295-R298 PolarHBondContact O-N 3.48Å; A295-R298 VanDerWaalsContact O-N 3.13Å; D296-R298 VanDerWaalsContact C-N 3.34Å; D296-R298 PolarHBondContact O-N 2.88Å; R298-Q301 PolarHBondContact O-N 2.94Å; R298-A302 WeakPolarHBondContact O-CB 3.45Å; R298-A302 PolarHBondContact O-N 3.45Å |
| 299 | I | 79.5 | Confident | 75.6 | Confident | 100 Ų | 100 | 101.2 Ų | 101.2 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 174.9 | -66.8 | 165.6 | 0 | 0 | 0 | 110.8 | A295 D296 R297 Q301 A302 L303 | A295-I299 WeakPolarHBondContact O-CG1 3.3Å; A295-I299 PolarHBondContact O-N 2.9Å; D296-I299 WeakPolarHBondContact O-CB 3.2Å; D296-I299 PolarHBondContact O-N 3.43Å; R297-I299 VanDerWaalsContact C-N 3.31Å; R297-I299 PolarHBondContact O-N 3Å; I299-Q301 VanDerWaalsContact C-N 3.33Å; I299-Q301 PolarHBondContact O-N 2.84Å; I299-A302 PolarHBondContact O-N 3.3Å; I299-L303 WeakPolarHBondContact O-CG 3.38Å; I299-L303 PolarHBondContact O-N 2.99Å |
| 300 | L | 76.9 | Confident | 74 | Confident | 109 Ų | 109 | 102 Ų | 102 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | 176.8 | -67.7 | 174.6 | 0 | 0 | 0 | 111.9 | D296 R297 L303 L304 | D296-L300 WeakPolarHBondContact O-CG 3.28Å; D296-L300 PolarHBondContact O-N 2.87Å; R297-L300 PolarHBondContact O-N 2.94Å; L300-L303 PolarHBondContact O-N 3.36Å; L300-L304 PolarHBondContact O-N 3.48Å |
| 301 | Q | 79.8 | Confident | 72.5 | Confident | 82 Ų | 82 | 103.1 Ų | 103.1 | 38% | 0.383 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 172.8 | -76.5 | 176.4 | -23.8 | 0 | 0 | 111.7 | R297 R298 I299 L303 L304 E305 | R297-Q301 HydrophobicContact CG-CG 4.46Å; R297-Q301 WeakPolarHBondContact O-CB 3.45Å; R297-Q301 VanDerWaalsContact O-CG 3.32Å; R297-Q301 WeakPolarHBondContact O-CG 3.35Å; R297-Q301 PolarHBondContact O-N 3.28Å; R298-Q301 PolarHBondContact O-N 2.94Å; I299-Q301 VanDerWaalsContact C-N 3.33Å; I299-Q301 PolarHBondContact O-N 2.84Å; Q301-L303 VanDerWaalsContact C-N 3.27Å; Q301-L303 PolarHBondContact O-N 2.84Å; Q301-L304 PolarHBondContact O-N 2.94Å; Q301-E305 WeakPolarHBondContact O-CB 3.34Å; Q301-E305 WeakPolarHBondContact O-CG 3.39Å; Q301-E305 PolarHBondContact O-N 2.97Å |
| 302 | A | 77.4 | Confident | 70.7 | Confident | 40 Ų | 40 | 104.3 Ų | 104.3 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -27.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R298 I299 K306 | R298-A302 WeakPolarHBondContact O-CB 3.45Å; R298-A302 PolarHBondContact O-N 3.45Å; I299-A302 PolarHBondContact O-N 3.3Å; A302-K306 WeakPolarHBondContact O-CD 3.39Å; A302-K306 VanDerWaalsContact O-CG 3.24Å; A302-K306 WeakPolarHBondContact O-CG 3.47Å; A302-K306 PolarHBondContact O-N 3.35Å |
| 303 | L | 73.8 | Confident | 69 | Low | 93 Ų | 93 | 106.8 Ų | 106.8 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -75.2 | -42.9 | 172.2 | -68.8 | 173.6 | 0 | 0 | 0 | 111.6 | I299 L300 Q301 K306 E307 | I299-L303 WeakPolarHBondContact O-CG 3.38Å; I299-L303 PolarHBondContact O-N 2.99Å; L300-L303 PolarHBondContact O-N 3.36Å; Q301-L303 VanDerWaalsContact C-N 3.27Å; Q301-L303 PolarHBondContact O-N 2.84Å; L303-K306 WeakPolarHBondContact O-CB 3.3Å; L303-K306 PolarHBondContact O-N 3.33Å; L303-E307 PolarHBondContact O-N 3.15Å |
| 304 | L | 74.1 | Confident | 67.4 | Low | 91 Ų | 91 | 108.2 Ų | 108.2 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 173.4 | -76.6 | 169.6 | 0 | 0 | 0 | 111.9 | L300 Q301 K306 E307 D308 | L300-L304 PolarHBondContact O-N 3.48Å; Q301-L304 PolarHBondContact O-N 2.94Å; L304-K306 VanDerWaalsContact C-N 3.25Å; L304-K306 PolarHBondContact O-N 3.41Å; L304-E307 CarbonylContact O-C 3.51Å; L304-E307 PolarHBondContact O-N 3.07Å; L304-E307 VanDerWaalsContact O-N 3.1Å; L304-D308 WeakPolarHBondContact O-CB 3.42Å; L304-D308 VanDerWaalsContact O-CG 3.29Å; L304-D308 PolarHBondContact O-N 2.69Å |
| 305 | E | 69.6 | Low | 65.6 | Low | 108 Ų | 108 | 108 Ų | 108 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -34.5 | 175 | -76.6 | 174 | 177.3 | 0 | 0 | 111.7 | Q301 D308 E309 | Q301-E305 WeakPolarHBondContact O-CB 3.34Å; Q301-E305 WeakPolarHBondContact O-CG 3.39Å; Q301-E305 PolarHBondContact O-N 2.97Å; E305-D308 PolarHBondContact O-N 3.12Å; E305-E309 WeakPolarHBondContact O-CB 3.49Å; E305-E309 WeakPolarHBondContact O-CG 3.49Å; E305-E309 PolarHBondContact O-N 3.37Å |
| 306 | K | 59.8 | Low | 64.3 | Low | 135 Ų | 135 | 109.9 Ų | 109.9 | 59% | 0.587 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.3 | -35 | 172.2 | -71.8 | 173.1 | -176.9 | -177.3 | 0 | 112.9 | A302 L303 L304 S310 | A302-K306 WeakPolarHBondContact O-CD 3.39Å; A302-K306 VanDerWaalsContact O-CG 3.24Å; A302-K306 WeakPolarHBondContact O-CG 3.47Å; A302-K306 PolarHBondContact O-N 3.35Å; L303-K306 WeakPolarHBondContact O-CB 3.3Å; L303-K306 PolarHBondContact O-N 3.33Å; L304-K306 VanDerWaalsContact C-N 3.25Å; L304-K306 PolarHBondContact O-N 3.41Å; K306-S310 PolarHBondContact O-N 3.43Å |
| 307 | E | 57 | Low | 62.9 | Low | 113 Ų | 113 | 117.4 Ų | 117.4 | 53% | 0.528 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.7 | -38.9 | 171 | -72.5 | -178.7 | 172.6 | 0 | 0 | 111.2 | L303 L304 S310 Q311 | L303-E307 PolarHBondContact O-N 3.15Å; L304-E307 CarbonylContact O-C 3.51Å; L304-E307 PolarHBondContact O-N 3.07Å; L304-E307 VanDerWaalsContact O-N 3.1Å; E307-S310 WeakPolarHBondContact O-CB 3.37Å; E307-S310 PolarHBondContact O-N 3.01Å; E307-S310 VanDerWaalsContact O-N 3.13Å; E307-S310 PolarHBondContact O-OG 2.99Å; E307-Q311 WeakPolarHBondContact O-CG 3.41Å; E307-Q311 PolarHBondContact O-N 3.01Å |
| 308 | D | 58.3 | Low | 61.9 | Low | 64 Ų | 64 | 117.9 Ų | 117.9 | 34% | 0.342 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.1 | -35.9 | 176.3 | -73.7 | -21.2 | 0 | 0 | 0 | 111.3 | L304 E305 S310 Q311 R312 | L304-D308 WeakPolarHBondContact O-CB 3.42Å; L304-D308 VanDerWaalsContact O-CG 3.29Å; L304-D308 PolarHBondContact O-N 2.69Å; E305-D308 PolarHBondContact O-N 3.12Å; D308-S310 PolarHBondContact O-N 3.17Å; D308-Q311 CarbonylContact O-C 3.52Å; D308-Q311 WeakPolarHBondContact O-CA 3.24Å; D308-Q311 PolarHBondContact O-N 3.5Å; D308-R312 WeakPolarHBondContact O-CG 3.45Å; D308-R312 PolarHBondContact O-N 3.43Å |
| 309 | E | 55.2 | Low | 60.6 | Low | 116 Ų | 116 | 115.9 Ų | 115.9 | 54% | 0.542 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -57.4 | -34.2 | 168.6 | -80.8 | 168.9 | -177.4 | 0 | 0 | 111.9 | E305 Q311 | E305-E309 WeakPolarHBondContact O-CB 3.49Å; E305-E309 WeakPolarHBondContact O-CG 3.49Å; E305-E309 PolarHBondContact O-N 3.37Å; E309-Q311 VanDerWaalsContact C-N 3.33Å |
| 310 | S | 48.5 | Very low | 59.6 | Low | 87 Ų | 87 | 118.8 Ų | 118.8 | 61% | 0.608 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.1 | -23 | 173 | 82 | 0 | 0 | 0 | 0 | 113.5 | K306 E307 D308 | K306-S310 PolarHBondContact O-N 3.43Å; E307-S310 WeakPolarHBondContact O-CB 3.37Å; E307-S310 PolarHBondContact O-N 3.01Å; E307-S310 VanDerWaalsContact O-N 3.13Å; E307-S310 PolarHBondContact O-OG 2.99Å; D308-S310 PolarHBondContact O-N 3.17Å |
| 311 | Q | 48.9 | Very low | 58.9 | Low | 138 Ų | 138 | 117 Ų | 117 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -92.2 | -14 | 177.8 | -63.9 | 179.3 | 16.9 | 0 | 0 | 113.7 | E307 D308 E309 L313 | E307-Q311 WeakPolarHBondContact O-CG 3.41Å; E307-Q311 PolarHBondContact O-N 3.01Å; D308-Q311 CarbonylContact O-C 3.52Å; D308-Q311 WeakPolarHBondContact O-CA 3.24Å; D308-Q311 PolarHBondContact O-N 3.5Å; E309-Q311 VanDerWaalsContact C-N 3.33Å; Q311-L313 VanDerWaalsContact C-N 3.32Å; Q311-L313 PolarHBondContact O-N 3.28Å |
| 312 | R | 50.4 | Low | 58.4 | Low | 152 Ų | 152 | 117.6 Ų | 117.6 | 57% | 0.574 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -76.5 | -2.4 | -175.3 | -82 | 170.1 | -164.8 | 171.8 | 4.9 | 115.9 | D308 N314 | D308-R312 WeakPolarHBondContact O-CG 3.45Å; D308-R312 PolarHBondContact O-N 3.43Å; R312-N314 PolarHBondContact O-N 2.85Å |
| 313 | L | 48.8 | Very low | 58.1 | Low | 155 Ų | 155 | 118.2 Ų | 118.2 | 81% | 0.812 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -67.6 | 7.7 | 179.3 | -77.9 | 171.4 | 0 | 0 | 0 | 115.8 | Q311 | Q311-L313 VanDerWaalsContact C-N 3.32Å; Q311-L313 PolarHBondContact O-N 3.28Å |
| 314 | N | 47 | Very low | 57.9 | Low | 139 Ų | 139 | 119 Ų | 119 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -127.3 | 4.5 | -167.7 | -81 | -36.4 | 0 | 0 | 0 | 119.1 | R312 | R312-N314 PolarHBondContact O-N 2.85Š|
| 315 | L | 46.7 | Very low | 57.9 | Low | 95 Ų | 95 | 117.2 Ų | 117.2 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | trans | -143.6 | 61.8 | -172.5 | -66.9 | 171.9 | 0 | 0 | 0 | 117.9 | R317 R318 | L315-R317 PolarHBondContact O-N 2.86Å; L315-R318 PolarHBondContact O-N 3.38Å | ||
| 316 | A | 53.3 | Low | 58.3 | Low | 79 Ų | 79 | 113.8 Ų | 113.8 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 18.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 317 | R | 53.4 | Low | 59.2 | Low | 250 Ų | 250 | 115.9 Ų | 115.9 | 94% | 0.943 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | -6.7 | 173.2 | -83.5 | -174.9 | 178.5 | 176.1 | 0 | 114.4 | L315 | L315-R317 PolarHBondContact O-N 2.86Š|
| 318 | R | 57.7 | Low | 60.1 | Low | 169 Ų | 169 | 115.4 Ų | 115.4 | 64% | 0.638 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -14.7 | 168.7 | -65.3 | -173.8 | -177 | 165.7 | -4.1 | 111.9 | L315 Q320 V322 | L315-R318 PolarHBondContact O-N 3.38Å; R318-Q320 PolarHBondContact O-N 2.86Å; R318-V322 HydrophobicContact CB-CG2 4.45Å; R318-V322 WeakPolarHBondContact O-CB 3.38Å; R318-V322 WeakPolarHBondContact O-CG2 3.27Å; R318-V322 PolarHBondContact O-N 3.49Å |
| 319 | E | 57.3 | Low | 61 | Low | 118 Ų | 118 | 118.5 Ų | 118.5 | 55% | 0.551 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.2 | -36.2 | -171.2 | -71.2 | 168.7 | 177.2 | 0 | 0 | 115 | A323 | E319-A323 WeakPolarHBondContact O-CB 3.25Å; E319-A323 PolarHBondContact O-N 3.47Å |
| 320 | Q | 57.7 | Low | 62.3 | Low | 162 Ų | 162 | 117.9 Ų | 117.9 | 76% | 0.757 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.7 | -45 | -178.2 | -70.2 | 176.6 | -13.5 | 0 | 0 | 112.6 | R318 V322 A323 D324 | R318-Q320 PolarHBondContact O-N 2.86Å; Q320-V322 VanDerWaalsContact C-N 3.32Å; Q320-V322 PolarHBondContact O-N 3.17Å; Q320-A323 PolarHBondContact O-N 3.02Å; Q320-D324 PolarHBondContact O-N 2.75Å |
| 321 | A | 61.8 | Low | 63.8 | Low | 72 Ų | 72 | 115.2 Ų | 115.2 | 60% | 0.595 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.9 | -32.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A325 | A321-A325 WeakPolarHBondContact O-CB 3.4Å; A321-A325 PolarHBondContact O-N 3.3Å; A321-A325 VanDerWaalsContact O-N 3.11Å |
| 322 | V | 69.4 | Low | 65.2 | Low | 94 Ų | 94 | 113.8 Ų | 113.8 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.6 | -34.8 | 171.9 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | R318 Q320 A326 | R318-V322 HydrophobicContact CB-CG2 4.45Å; R318-V322 WeakPolarHBondContact O-CB 3.38Å; R318-V322 WeakPolarHBondContact O-CG2 3.27Å; R318-V322 PolarHBondContact O-N 3.49Å; Q320-V322 VanDerWaalsContact C-N 3.32Å; Q320-V322 PolarHBondContact O-N 3.17Å; V322-A326 WeakPolarHBondContact O-CA 3.37Å; V322-A326 WeakPolarHBondContact O-CB 3.43Å; V322-A326 PolarHBondContact O-N 3.45Å |
| 323 | A | 70.8 | Confident | 66.7 | Low | 53 Ų | 53 | 110.7 Ų | 110.7 | 44% | 0.438 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.8 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E319 Q320 A326 W327 | E319-A323 WeakPolarHBondContact O-CB 3.25Å; E319-A323 PolarHBondContact O-N 3.47Å; Q320-A323 PolarHBondContact O-N 3.02Å; A323-A326 CarbonylContact O-C 3.6Å; A323-A326 PolarHBondContact O-N 2.71Å; A323-W327 WeakPolarHBondContact O-CB 3.47Å; A323-W327 PolarHBondContact O-N 3.38Å |
| 324 | D | 70.6 | Confident | 68.4 | Low | 108 Ų | 108 | 109.2 Ų | 109.2 | 58% | 0.578 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.9 | -39.1 | 177.2 | -68.5 | -22.2 | 0 | 0 | 0 | 111.7 | Q320 A326 W327 M328 | Q320-D324 PolarHBondContact O-N 2.75Å; D324-A326 VanDerWaalsContact C-N 3.34Å; D324-W327 PolarHBondContact O-N 3.29Å; D324-M328 WeakPolarHBondContact O-CE 3.33Å; D324-M328 PolarHBondContact O-N 2.9Å |
| 325 | A | 72.8 | Confident | 69.9 | Low | 55 Ų | 55 | 108.9 Ų | 108.9 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -35.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A321 K329 | A321-A325 WeakPolarHBondContact O-CB 3.4Å; A321-A325 PolarHBondContact O-N 3.3Å; A321-A325 VanDerWaalsContact O-N 3.11Å; A325-K329 WeakPolarHBondContact O-CB 3.43Å; A325-K329 PolarHBondContact O-N 2.9Å |
| 326 | A | 78.4 | Confident | 71.8 | Confident | 36 Ų | 36 | 107.8 Ų | 107.8 | 30% | 0.298 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V322 A323 D324 K329 Q330 | V322-A326 WeakPolarHBondContact O-CA 3.37Å; V322-A326 WeakPolarHBondContact O-CB 3.43Å; V322-A326 PolarHBondContact O-N 3.45Å; A323-A326 CarbonylContact O-C 3.6Å; A323-A326 PolarHBondContact O-N 2.71Å; D324-A326 VanDerWaalsContact C-N 3.34Å; A326-K329 PolarHBondContact O-N 3.01Å; A326-Q330 WeakPolarHBondContact O-CB 3.33Å; A326-Q330 VanDerWaalsContact O-CG 3.23Å; A326-Q330 WeakPolarHBondContact O-CG 3.45Å; A326-Q330 PolarHBondContact O-N 3.47Å |
| 327 | W | 79.3 | Confident | 73.2 | Confident | 178 Ų | 178 | 110 Ų | 110 | 67% | 0.674 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.5 | -46.4 | 176.7 | -177.3 | 82.5 | 0 | 0 | 0 | 111.9 | A323 D324 K329 Q330 A331 | A323-W327 WeakPolarHBondContact O-CB 3.47Å; A323-W327 PolarHBondContact O-N 3.38Å; D324-W327 PolarHBondContact O-N 3.29Å; W327-K329 VanDerWaalsContact C-N 3.31Å; W327-K329 PolarHBondContact O-N 3.43Å; W327-Q330 PolarHBondContact O-N 3.43Å; W327-A331 WeakPolarHBondContact O-CB 3.4Å; W327-A331 PolarHBondContact O-N 3.36Å |
| 328 | M | 75 | Confident | 74.8 | Confident | 104 Ų | 104 | 103 Ų | 103 | 51% | 0.512 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 173.9 | -77.1 | -175.5 | -76.3 | 0 | 0 | 111.9 | D324 A331 I332 | D324-M328 WeakPolarHBondContact O-CE 3.33Å; D324-M328 PolarHBondContact O-N 2.9Å; M328-A331 PolarHBondContact O-N 2.92Å; M328-I332 WeakPolarHBondContact O-CB 3.36Å; M328-I332 VanDerWaalsContact O-CG1 3.23Å; M328-I332 WeakPolarHBondContact O-CG1 3.4Å; M328-I332 PolarHBondContact O-N 3.23Å |
| 329 | K | 78.6 | Confident | 75.8 | Confident | 128 Ų | 128 | 100 Ų | 100 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -46.3 | 173.4 | 179 | -177.6 | 171.6 | -172.4 | 0 | 111.2 | A325 A326 W327 I332 E333 | A325-K329 WeakPolarHBondContact O-CB 3.43Å; A325-K329 PolarHBondContact O-N 2.9Å; A326-K329 PolarHBondContact O-N 3.01Å; W327-K329 VanDerWaalsContact C-N 3.31Å; W327-K329 PolarHBondContact O-N 3.43Å; K329-I332 PolarHBondContact O-N 2.97Å; K329-E333 WeakPolarHBondContact CE-OE1 3.45Å; K329-E333 HydrophobicContact CG-CG 4.45Å; K329-E333 WeakPolarHBondContact CG-OE1 3.48Å; K329-E333 VanDerWaalsContact O-CB 3.3Å; K329-E333 WeakPolarHBondContact O-CB 3.35Å; K329-E333 WeakPolarHBondContact O-CG 3.29Å; K329-E333 PolarHBondContact O-N 3.34Å |
| 330 | Q | 81.7 | Confident | 77.2 | Confident | 104 Ų | 104 | 101.5 Ų | 101.5 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 176.4 | -75.9 | 170 | -4.7 | 0 | 0 | 111.9 | A326 W327 I332 E333 E334 | A326-Q330 WeakPolarHBondContact O-CB 3.33Å; A326-Q330 VanDerWaalsContact O-CG 3.23Å; A326-Q330 WeakPolarHBondContact O-CG 3.45Å; A326-Q330 PolarHBondContact O-N 3.47Å; W327-Q330 PolarHBondContact O-N 3.43Å; Q330-I332 PolarHBondContact O-N 3.21Å; Q330-E333 WeakPolarHBondContact O-CB 3.42Å; Q330-E333 PolarHBondContact O-N 3.22Å; Q330-E334 WeakPolarHBondContact O-CG 3.41Å; Q330-E334 PolarHBondContact O-N 3.12Å |
| 331 | A | 80.1 | Confident | 78.5 | Confident | 30 Ų | 30 | 96 Ų | 96 | 25% | 0.248 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W327 M328 Q335 | W327-A331 WeakPolarHBondContact O-CB 3.4Å; W327-A331 PolarHBondContact O-N 3.36Å; M328-A331 PolarHBondContact O-N 2.92Å; A331-Q335 WeakPolarHBondContact O-CG 3.48Å; A331-Q335 PolarHBondContact O-N 2.9Å |
| 332 | I | 78.9 | Confident | 79.4 | Confident | 109 Ų | 109 | 99.9 Ų | 99.9 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.8 | -40 | 174.3 | -68.5 | 168.3 | 0 | 0 | 0 | 110.6 | M328 K329 Q330 E334 Q335 L336 | M328-I332 WeakPolarHBondContact O-CB 3.36Å; M328-I332 VanDerWaalsContact O-CG1 3.23Å; M328-I332 WeakPolarHBondContact O-CG1 3.4Å; M328-I332 PolarHBondContact O-N 3.23Å; K329-I332 PolarHBondContact O-N 2.97Å; Q330-I332 PolarHBondContact O-N 3.21Å; I332-E334 VanDerWaalsContact C-N 3.35Å; I332-Q335 PolarHBondContact O-N 2.92Å; I332-L336 VanDerWaalsContact O-CB 3.29Å; I332-L336 WeakPolarHBondContact O-CB 3.28Å; I332-L336 PolarHBondContact O-N 2.8Å |
| 333 | E | 82.1 | Confident | 79.9 | Confident | 86 Ų | 86 | 100.6 Ų | 100.6 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 175.3 | -77.2 | 169.6 | 175.8 | 0 | 0 | 111.7 | K329 Q330 L336 Q337 | K329-E333 WeakPolarHBondContact CE-OE1 3.45Å; K329-E333 HydrophobicContact CG-CG 4.45Å; K329-E333 WeakPolarHBondContact CG-OE1 3.48Å; K329-E333 VanDerWaalsContact O-CB 3.3Å; K329-E333 WeakPolarHBondContact O-CB 3.35Å; K329-E333 WeakPolarHBondContact O-CG 3.29Å; K329-E333 PolarHBondContact O-N 3.34Å; Q330-E333 WeakPolarHBondContact O-CB 3.42Å; Q330-E333 PolarHBondContact O-N 3.22Å; E333-L336 PolarHBondContact O-N 3.2Å; E333-Q337 VanDerWaalsContact O-CG 3.25Å; E333-Q337 WeakPolarHBondContact O-CG 3.47Å; E333-Q337 PolarHBondContact O-N 3.47Å |
| 334 | E | 84.4 | Confident | 80.5 | Confident | 124 Ų | 124 | 100.4 Ų | 100.4 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.9 | -44.2 | 174.4 | -73.9 | 173.8 | -175.4 | 0 | 0 | 111.9 | Q330 I332 Q337 L338 | Q330-E334 WeakPolarHBondContact O-CG 3.41Å; Q330-E334 PolarHBondContact O-N 3.12Å; I332-E334 VanDerWaalsContact C-N 3.35Å; E334-Q337 PolarHBondContact O-N 2.91Å; E334-L338 WeakPolarHBondContact O-CG 3.27Å; E334-L338 PolarHBondContact O-N 3.06Å; E334-L338 VanDerWaalsContact O-N 3.07Å |
| 335 | Q | 78.6 | Confident | 81.2 | Confident | 132 Ų | 132 | 101.3 Ų | 101.3 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.5 | -41.7 | 175.6 | -74.1 | -169.6 | -10.2 | 0 | 0 | 112.2 | A331 I332 Q337 L338 E339 | A331-Q335 WeakPolarHBondContact O-CG 3.48Å; A331-Q335 PolarHBondContact O-N 2.9Å; I332-Q335 PolarHBondContact O-N 2.92Å; Q335-Q337 VanDerWaalsContact C-N 3.3Å; Q335-Q337 PolarHBondContact O-N 2.88Å; Q335-L338 PolarHBondContact O-N 3.31Å; Q335-E339 PolarHBondContact O-N 2.94Å |
| 336 | L | 86.3 | Confident | 81.6 | Confident | 73 Ų | 73 | 103.8 Ų | 103.8 | 38% | 0.382 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 176.3 | -170.2 | 72.6 | 0 | 0 | 0 | 111.7 | I332 E333 R340 | I332-L336 VanDerWaalsContact O-CB 3.29Å; I332-L336 WeakPolarHBondContact O-CB 3.28Å; I332-L336 PolarHBondContact O-N 2.8Å; E333-L336 PolarHBondContact O-N 3.2Å; L336-R340 WeakPolarHBondContact O-CB 3.45Å; L336-R340 WeakPolarHBondContact O-CG 3.47Å; L336-R340 PolarHBondContact O-N 3.37Å |
| 337 | Q | 83.1 | Confident | 81.9 | Confident | 124 Ų | 124 | 106.6 Ų | 106.6 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 173.6 | -75.5 | 176.6 | 19.7 | 0 | 0 | 112 | E333 E334 Q335 R340 A341 | E333-Q337 VanDerWaalsContact O-CG 3.25Å; E333-Q337 WeakPolarHBondContact O-CG 3.47Å; E333-Q337 PolarHBondContact O-N 3.47Å; E334-Q337 PolarHBondContact O-N 2.91Å; Q335-Q337 VanDerWaalsContact C-N 3.3Å; Q335-Q337 PolarHBondContact O-N 2.88Å; Q337-R340 PolarHBondContact O-N 2.93Å; Q337-A341 PolarHBondContact O-N 3.22Å |
| 338 | L | 85.8 | Confident | 82.1 | Confident | 105 Ų | 105 | 101.1 Ų | 101.1 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 176 | -70.1 | 172.1 | 0 | 0 | 0 | 112.3 | E334 Q335 A341 R342 | E334-L338 WeakPolarHBondContact O-CG 3.27Å; E334-L338 PolarHBondContact O-N 3.06Å; E334-L338 VanDerWaalsContact O-N 3.07Å; Q335-L338 PolarHBondContact O-N 3.31Å; L338-A341 PolarHBondContact O-N 2.99Å; L338-R342 WeakPolarHBondContact O-CG 3.46Å; L338-R342 PolarHBondContact O-N 3.41Å |
| 339 | E | 78.8 | Confident | 82.5 | Confident | 104 Ų | 104 | 100.6 Ų | 100.6 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 174.1 | -72.8 | -172.3 | 165.7 | 0 | 0 | 111.7 | Q335 A341 R342 E343 | Q335-E339 PolarHBondContact O-N 2.94Å; E339-A341 VanDerWaalsContact C-N 3.3Å; E339-A341 PolarHBondContact O-N 3.27Å; E339-R342 PolarHBondContact O-N 3.22Å; E339-E343 WeakPolarHBondContact O-CB 3.32Å; E339-E343 VanDerWaalsContact O-CG 3.3Å; E339-E343 WeakPolarHBondContact O-CG 3.49Å; E339-E343 PolarHBondContact O-N 3.5Å |
| 340 | R | 87 | Confident | 82.8 | Confident | 150 Ų | 150 | 99.8 Ų | 99.8 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -38.1 | 172.8 | -74.3 | 170.5 | -178.4 | -178.7 | 1.9 | 112.7 | L336 Q337 A344 | L336-R340 WeakPolarHBondContact O-CB 3.45Å; L336-R340 WeakPolarHBondContact O-CG 3.47Å; L336-R340 PolarHBondContact O-N 3.37Å; Q337-R340 PolarHBondContact O-N 2.93Å; R340-A344 WeakPolarHBondContact O-CB 3.33Å; R340-A344 PolarHBondContact O-N 2.86Å |
| 341 | A | 84.4 | Confident | 82.9 | Confident | 46 Ų | 46 | 101.8 Ų | 101.8 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q337 L338 E339 A344 E345 | Q337-A341 PolarHBondContact O-N 3.22Å; L338-A341 PolarHBondContact O-N 2.99Å; E339-A341 VanDerWaalsContact C-N 3.3Å; E339-A341 PolarHBondContact O-N 3.27Å; A341-A344 WeakPolarHBondContact O-CB 3.31Å; A341-A344 PolarHBondContact O-N 3.42Å; A341-E345 WeakPolarHBondContact O-CG 3.41Å; A341-E345 PolarHBondContact O-N 2.91Å |
| 342 | R | 81.1 | Confident | 83.1 | Confident | 154 Ų | 154 | 104.9 Ų | 104.9 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 174.8 | -70.3 | 170.8 | -179.6 | 172 | 1.5 | 112.3 | L338 E339 A344 E345 L346 | L338-R342 WeakPolarHBondContact O-CG 3.46Å; L338-R342 PolarHBondContact O-N 3.41Å; E339-R342 PolarHBondContact O-N 3.22Å; R342-A344 VanDerWaalsContact C-N 3.31Å; R342-A344 PolarHBondContact O-N 3.31Å; R342-E345 PolarHBondContact O-N 3.45Å; R342-L346 WeakPolarHBondContact O-CB 3.35Å; R342-L346 VanDerWaalsContact O-CG 3.31Å; R342-L346 WeakPolarHBondContact O-CG 3.43Å; R342-L346 PolarHBondContact O-N 3.27Å |
| 343 | E | 79.1 | Confident | 83.2 | Confident | 109 Ų | 109 | 105.4 Ų | 105.4 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 174.2 | -75.5 | 177.3 | 174.7 | 0 | 0 | 111.4 | E339 L346 Q347 | E339-E343 WeakPolarHBondContact O-CB 3.32Å; E339-E343 VanDerWaalsContact O-CG 3.3Å; E339-E343 WeakPolarHBondContact O-CG 3.49Å; E339-E343 PolarHBondContact O-N 3.5Å; E343-L346 PolarHBondContact O-N 3.19Å; E343-Q347 WeakPolarHBondContact O-CB 3.35Å; E343-Q347 VanDerWaalsContact O-CG 3.24Å; E343-Q347 WeakPolarHBondContact O-CG 3.32Å; E343-Q347 PolarHBondContact O-N 2.86Å |
| 344 | A | 84.2 | Confident | 83.2 | Confident | 49 Ų | 49 | 104.1 Ų | 104.1 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R340 A341 R342 Q347 V348 | R340-A344 WeakPolarHBondContact O-CB 3.33Å; R340-A344 PolarHBondContact O-N 2.86Å; A341-A344 WeakPolarHBondContact O-CB 3.31Å; A341-A344 PolarHBondContact O-N 3.42Å; R342-A344 VanDerWaalsContact C-N 3.31Å; R342-A344 PolarHBondContact O-N 3.31Å; A344-Q347 PolarHBondContact O-N 2.93Å; A344-V348 VanDerWaalsContact O-CG2 3.29Å; A344-V348 WeakPolarHBondContact O-CG2 3.28Å; A344-V348 PolarHBondContact O-N 2.96Å |
| 345 | E | 85.3 | Confident | 83.2 | Confident | 128 Ų | 128 | 104.4 Ų | 104.4 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.7 | -47.5 | 173.7 | -72.2 | 171.8 | -174.8 | 0 | 0 | 111.3 | A341 R342 Q347 V348 L349 | A341-E345 WeakPolarHBondContact O-CG 3.41Å; A341-E345 PolarHBondContact O-N 2.91Å; R342-E345 PolarHBondContact O-N 3.45Å; E345-Q347 VanDerWaalsContact C-N 3.35Å; E345-Q347 PolarHBondContact O-N 2.98Å; E345-V348 PolarHBondContact O-N 2.79Å; E345-V348 VanDerWaalsContact O-N 3.17Å; E345-L349 WeakPolarHBondContact O-CG 3.45Å; E345-L349 PolarHBondContact O-N 3.48Å |
| 346 | L | 81.8 | Confident | 83.6 | Confident | 107 Ų | 107 | 103.4 Ų | 103.4 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.8 | -40.6 | 175.6 | -70.7 | 172.8 | 0 | 0 | 0 | 111.9 | R342 E343 V348 L349 L350 | R342-L346 WeakPolarHBondContact O-CB 3.35Å; R342-L346 VanDerWaalsContact O-CG 3.31Å; R342-L346 WeakPolarHBondContact O-CG 3.43Å; R342-L346 PolarHBondContact O-N 3.27Å; E343-L346 PolarHBondContact O-N 3.19Å; L346-V348 VanDerWaalsContact C-N 3.33Å; L346-V348 PolarHBondContact O-N 3.47Å; L346-L349 PolarHBondContact O-N 2.88Å; L346-L350 WeakPolarHBondContact O-CB 3.4Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.37Å; L346-L350 PolarHBondContact O-N 2.88Å |
| 347 | Q | 84 | Confident | 83.4 | Confident | 95 Ų | 95 | 105.8 Ų | 105.8 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 175 | -77.2 | -179.3 | 25.2 | 0 | 0 | 112.7 | E343 A344 E345 R351 | E343-Q347 WeakPolarHBondContact O-CB 3.35Å; E343-Q347 VanDerWaalsContact O-CG 3.24Å; E343-Q347 WeakPolarHBondContact O-CG 3.32Å; E343-Q347 PolarHBondContact O-N 2.86Å; A344-Q347 PolarHBondContact O-N 2.93Å; E345-Q347 VanDerWaalsContact C-N 3.35Å; E345-Q347 PolarHBondContact O-N 2.98Å; Q347-R351 WeakPolarHBondContact O-CB 3.37Å; Q347-R351 WeakPolarHBondContact O-CD 3.3Å; Q347-R351 WeakPolarHBondContact O-CG 3.3Å; Q347-R351 PolarHBondContact O-N 2.96Å |
| 348 | V | 84.6 | Confident | 83.5 | Confident | 63 Ų | 63 | 106.7 Ų | 106.7 | 38% | 0.382 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -48.7 | 175.2 | 168.9 | 0 | 0 | 0 | 0 | 110 | A344 E345 L346 L350 R351 E352 | A344-V348 VanDerWaalsContact O-CG2 3.29Å; A344-V348 WeakPolarHBondContact O-CG2 3.28Å; A344-V348 PolarHBondContact O-N 2.96Å; E345-V348 PolarHBondContact O-N 2.79Å; E345-V348 VanDerWaalsContact O-N 3.17Å; L346-V348 VanDerWaalsContact C-N 3.33Å; L346-V348 PolarHBondContact O-N 3.47Å; V348-L350 PolarHBondContact O-N 3.23Å; V348-R351 WeakPolarHBondContact O-CB 3.31Å; V348-R351 PolarHBondContact O-N 3.07Å; V348-R351 VanDerWaalsContact O-N 3.12Å; V348-E352 HydrophobicContact CG1-CG 4.44Å; V348-E352 WeakPolarHBondContact CG1-OE1 3.49Å; V348-E352 WeakPolarHBondContact O-CG 3.45Å; V348-E352 PolarHBondContact O-N 2.98Å |
| 349 | L | 82.4 | Confident | 83.6 | Confident | 92 Ų | 92 | 107.8 Ų | 107.8 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 176.8 | -66.4 | 173.5 | 0 | 0 | 0 | 111.8 | E345 L346 R351 E352 E353 | E345-L349 WeakPolarHBondContact O-CG 3.45Å; E345-L349 PolarHBondContact O-N 3.48Å; L346-L349 PolarHBondContact O-N 2.88Å; L349-R351 VanDerWaalsContact C-N 3.28Å; L349-R351 PolarHBondContact O-N 2.94Å; L349-E352 PolarHBondContact O-N 3.38Å; L349-E352 VanDerWaalsContact O-N 3.13Å; L349-E353 WeakPolarHBondContact O-CG 3.47Å; L349-E353 PolarHBondContact O-N 3.4Å |
| 350 | L | 85.4 | Confident | 84.1 | Confident | 112 Ų | 112 | 108.2 Ų | 108.2 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.3 | -34.7 | 176.5 | -70.7 | 172.5 | 0 | 0 | 0 | 112.7 | L346 V348 A354 | L346-L350 WeakPolarHBondContact O-CB 3.4Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.37Å; L346-L350 PolarHBondContact O-N 2.88Å; V348-L350 PolarHBondContact O-N 3.23Å; L350-A354 WeakPolarHBondContact O-CB 3.47Å; L350-A354 PolarHBondContact O-N 3.2Å |
| 351 | R | 84.4 | Confident | 84.3 | Confident | 145 Ų | 145 | 106.9 Ų | 106.9 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.2 | -37.7 | 175.1 | -76 | 169.1 | -173.1 | 167.2 | 8.1 | 111.9 | Q347 V348 L349 K355 | Q347-R351 WeakPolarHBondContact O-CB 3.37Å; Q347-R351 WeakPolarHBondContact O-CD 3.3Å; Q347-R351 WeakPolarHBondContact O-CG 3.3Å; Q347-R351 PolarHBondContact O-N 2.96Å; V348-R351 WeakPolarHBondContact O-CB 3.31Å; V348-R351 PolarHBondContact O-N 3.07Å; V348-R351 VanDerWaalsContact O-N 3.12Å; L349-R351 VanDerWaalsContact C-N 3.28Å; L349-R351 PolarHBondContact O-N 2.94Å; R351-K355 WeakPolarHBondContact O-CG 3.48Å; R351-K355 PolarHBondContact O-N 3.39Å |
| 352 | E | 82.4 | Confident | 84.2 | Confident | 95 Ų | 95 | 109 Ų | 109 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -47.7 | 178.1 | -73.1 | 172.8 | 177.3 | 0 | 0 | 111.1 | V348 L349 A354 K355 E356 | V348-E352 HydrophobicContact CG1-CG 4.44Å; V348-E352 WeakPolarHBondContact CG1-OE1 3.49Å; V348-E352 WeakPolarHBondContact O-CG 3.45Å; V348-E352 PolarHBondContact O-N 2.98Å; L349-E352 PolarHBondContact O-N 3.38Å; L349-E352 VanDerWaalsContact O-N 3.13Å; E352-A354 VanDerWaalsContact C-N 3.3Å; E352-A354 PolarHBondContact O-N 3.12Å; E352-K355 WeakPolarHBondContact O-CB 3.28Å; E352-K355 PolarHBondContact O-N 3.29Å; E352-K355 VanDerWaalsContact O-N 3.08Å; E352-E356 PolarHBondContact O-N 3.41Å |
| 353 | E | 81.4 | Confident | 84.7 | Confident | 121 Ų | 121 | 103.8 Ų | 103.8 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.4 | -42.8 | 173.3 | -69.7 | 177.6 | 173.9 | 0 | 0 | 111.5 | L349 K355 E356 M357 | L349-E353 WeakPolarHBondContact O-CG 3.47Å; L349-E353 PolarHBondContact O-N 3.4Å; E353-K355 VanDerWaalsContact C-N 3.35Å; E353-K355 PolarHBondContact O-N 2.89Å; E353-E356 PolarHBondContact O-N 3.1Å; E353-M357 WeakPolarHBondContact O-CB 3.43Å; E353-M357 VanDerWaalsContact O-CG 3.26Å; E353-M357 WeakPolarHBondContact O-CG 3.37Å; E353-M357 PolarHBondContact O-N 2.96Å |
| 354 | A | 83.1 | Confident | 85.3 | Confident | 59 Ų | 59 | 102.4 Ų | 102.4 | 49% | 0.488 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L350 E352 W358 | L350-A354 WeakPolarHBondContact O-CB 3.47Å; L350-A354 PolarHBondContact O-N 3.2Å; E352-A354 VanDerWaalsContact C-N 3.3Å; E352-A354 PolarHBondContact O-N 3.12Å; A354-W358 VanDerWaalsContact O-CB 3.26Å; A354-W358 WeakPolarHBondContact O-CB 3.46Å; A354-W358 PolarHBondContact O-N 3.38Å |
| 355 | K | 84 | Confident | 85.6 | Confident | 129 Ų | 129 | 105 Ų | 105 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66 | -48.4 | 175.4 | -75.5 | 167 | -175 | 176 | 0 | 111.6 | R351 E352 E353 M357 W358 E359 | R351-K355 WeakPolarHBondContact O-CG 3.48Å; R351-K355 PolarHBondContact O-N 3.39Å; E352-K355 WeakPolarHBondContact O-CB 3.28Å; E352-K355 PolarHBondContact O-N 3.29Å; E352-K355 VanDerWaalsContact O-N 3.08Å; E353-K355 VanDerWaalsContact C-N 3.35Å; E353-K355 PolarHBondContact O-N 2.89Å; K355-M357 VanDerWaalsContact C-N 3.32Å; K355-M357 PolarHBondContact O-N 3.31Å; K355-W358 WeakPolarHBondContact O-CB 3.26Å; K355-W358 PolarHBondContact O-N 2.86Å; K355-W358 VanDerWaalsContact O-N 3.13Å; K355-E359 WeakPolarHBondContact O-CG 3.35Å; K355-E359 PolarHBondContact O-N 2.85Å |
| 356 | E | 86.6 | Confident | 85.8 | Confident | 111 Ų | 111 | 101 Ų | 101 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 179.3 | -69.7 | -170.8 | 177.5 | 0 | 0 | 111.9 | E352 E353 W358 E359 K360 | E352-E356 PolarHBondContact O-N 3.41Å; E353-E356 PolarHBondContact O-N 3.1Å; E356-W358 VanDerWaalsContact C-N 3.3Å; E356-W358 PolarHBondContact O-N 2.92Å; E356-E359 PolarHBondContact O-N 2.88Å; E356-K360 VanDerWaalsContact O-CG 3.29Å; E356-K360 WeakPolarHBondContact O-CG 3.37Å; E356-K360 PolarHBondContact O-N 3.28Å |
| 357 | M | 82.9 | Confident | 86.3 | Confident | 123 Ų | 123 | 104.5 Ų | 104.5 | 61% | 0.606 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.9 | -35.7 | 176.1 | -69.5 | -56.4 | -69.4 | 0 | 0 | 111.9 | E353 K355 K360 R361 | E353-M357 WeakPolarHBondContact O-CB 3.43Å; E353-M357 VanDerWaalsContact O-CG 3.26Å; E353-M357 WeakPolarHBondContact O-CG 3.37Å; E353-M357 PolarHBondContact O-N 2.96Å; K355-M357 VanDerWaalsContact C-N 3.32Å; K355-M357 PolarHBondContact O-N 3.31Å; M357-K360 HydrophobicContact SD-CD 4.2Å; M357-R361 PolarHBondContact O-N 2.9Å; M357-R361 VanDerWaalsContact O-N 3.17Å |
| 358 | W | 85 | Confident | 86.7 | Confident | 144 Ų | 144 | 104 Ų | 104 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -47.4 | 173.7 | -174 | -97.4 | 0 | 0 | 0 | 112.1 | A354 K355 E356 K360 R361 E362 W365 | A354-W358 VanDerWaalsContact O-CB 3.26Å; A354-W358 WeakPolarHBondContact O-CB 3.46Å; A354-W358 PolarHBondContact O-N 3.38Å; K355-W358 WeakPolarHBondContact O-CB 3.26Å; K355-W358 PolarHBondContact O-N 2.86Å; K355-W358 VanDerWaalsContact O-N 3.13Å; E356-W358 VanDerWaalsContact C-N 3.3Å; E356-W358 PolarHBondContact O-N 2.92Å; W358-K360 PolarHBondContact O-N 2.86Å; W358-R361 PolarHBondContact O-N 3.12Å; W358-R361 VanDerWaalsContact O-N 3.1Å; W358-E362 PolarHBondContact NE1-OE1 3.05Å; W358-E362 PolarHBondContact O-N 3.46Å; W358-W365 HydrophobicContact CH2-CH2 4.43Å; W358-W365 HydrophobicContact CH2-CZ3 4.15Å; W358-W365 HydrophobicContact CZ2-CZ3 4.47Å |
| 359 | E | 87.2 | Confident | 86.8 | Confident | 127 Ų | 127 | 106.5 Ų | 106.5 | 59% | 0.593 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.2 | -42.4 | 178.1 | -73.3 | 177.2 | -178.7 | 0 | 0 | 112.3 | K355 E356 R361 E362 A363 | K355-E359 WeakPolarHBondContact O-CG 3.35Å; K355-E359 PolarHBondContact O-N 2.85Å; E356-E359 PolarHBondContact O-N 2.88Å; E359-R361 VanDerWaalsContact C-N 3.29Å; E359-R361 PolarHBondContact O-N 3.43Å; E359-E362 PolarHBondContact O-N 2.89Å; E359-A363 WeakPolarHBondContact O-CB 3.48Å; E359-A363 PolarHBondContact O-N 3.15Å |
| 360 | K | 90.8 | Very high | 87.2 | Confident | 114 Ų | 114 | 104.6 Ų | 104.6 | 50% | 0.496 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.6 | -44.4 | 173.3 | -73.6 | 168.1 | -171.4 | 162.5 | 0 | 110.9 | E356 M357 W358 A363 E364 | E356-K360 VanDerWaalsContact O-CG 3.29Å; E356-K360 WeakPolarHBondContact O-CG 3.37Å; E356-K360 PolarHBondContact O-N 3.28Å; M357-K360 HydrophobicContact SD-CD 4.2Å; W358-K360 PolarHBondContact O-N 2.86Å; K360-A363 PolarHBondContact O-N 3.25Å; K360-E364 WeakPolarHBondContact O-CG 3.41Å; K360-E364 PolarHBondContact O-N 3.37Å |
| 361 | R | 89.2 | Confident | 87.6 | Confident | 122 Ų | 122 | 101.5 Ų | 101.5 | 46% | 0.46 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.2 | -37.9 | -179.9 | -154.1 | 64.4 | 173.3 | 159 | -0.3 | 112.7 | M357 W358 E359 A363 E364 W365 | M357-R361 PolarHBondContact O-N 2.9Å; M357-R361 VanDerWaalsContact O-N 3.17Å; W358-R361 PolarHBondContact O-N 3.12Å; W358-R361 VanDerWaalsContact O-N 3.1Å; E359-R361 VanDerWaalsContact C-N 3.29Å; E359-R361 PolarHBondContact O-N 3.43Å; R361-A363 VanDerWaalsContact C-N 3.35Å; R361-E364 WeakPolarHBondContact CD-OE2 3.5Å; R361-E364 IonicContact CZ-OE2 3.62Å; R361-E364 IonicContact NE-OE2 3.21Å; R361-E364 IonicContact NH1-OE2 2.66Å; R361-E364 PolarHBondContact NH1-OE2 2.94Å; R361-E364 PolarHBondContact O-N 3.31Å; R361-W365 HydrophobicContact CG-CD2 4.24Å; R361-W365 HydrophobicContact CG-CH2 4.03Å; R361-W365 HydrophobicContact CG-CZ2 3.7Å; R361-W365 HydrophobicContact CG-CZ3 4.41Å; R361-W365 WeakPolarHBondContact O-CB 3.43Å; R361-W365 VanDerWaalsContact O-CG 3.3Å; R361-W365 PolarHBondContact O-N 2.88Å |
| 362 | E | 84.2 | Confident | 87.9 | Confident | 91 Ų | 91 | 102.1 Ų | 102.1 | 43% | 0.425 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 173 | -76.8 | -168.6 | 161.9 | 0 | 0 | 112.2 | W358 E359 W365 A366 | W358-E362 PolarHBondContact NE1-OE1 3.05Å; W358-E362 PolarHBondContact O-N 3.46Å; E359-E362 PolarHBondContact O-N 2.89Å; E362-W365 PolarHBondContact O-N 3.13Å; E362-A366 VanDerWaalsContact O-CB 3.3Å; E362-A366 WeakPolarHBondContact O-CB 3.46Å; E362-A366 PolarHBondContact O-N 3.21Å |
| 363 | A | 90.4 | Very high | 88.2 | Confident | 43 Ų | 43 | 101 Ų | 101 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E359 K360 R361 A366 R367 | E359-A363 WeakPolarHBondContact O-CB 3.48Å; E359-A363 PolarHBondContact O-N 3.15Å; K360-A363 PolarHBondContact O-N 3.25Å; R361-A363 VanDerWaalsContact C-N 3.35Å; A363-A366 PolarHBondContact O-N 2.82Å; A363-R367 WeakPolarHBondContact O-CG 3.49Å; A363-R367 PolarHBondContact O-N 3.38Å |
| 364 | E | 91.7 | Very high | 88.8 | Confident | 81 Ų | 81 | 101.3 Ų | 101.3 | 38% | 0.379 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 172.8 | -72.8 | 173.6 | 170 | 0 | 0 | 111.4 | K360 R361 A366 R367 E368 | K360-E364 WeakPolarHBondContact O-CG 3.41Å; K360-E364 PolarHBondContact O-N 3.37Å; R361-E364 WeakPolarHBondContact CD-OE2 3.5Å; R361-E364 IonicContact CZ-OE2 3.62Å; R361-E364 IonicContact NE-OE2 3.21Å; R361-E364 IonicContact NH1-OE2 2.66Å; R361-E364 PolarHBondContact NH1-OE2 2.94Å; R361-E364 PolarHBondContact O-N 3.31Å; E364-A366 VanDerWaalsContact C-N 3.3Å; E364-A366 PolarHBondContact O-N 3.36Å; E364-R367 PolarHBondContact O-N 3.28Å; E364-E368 WeakPolarHBondContact O-CG 3.37Å; E364-E368 PolarHBondContact O-N 3Å |
| 365 | W | 90.1 | Very high | 89.3 | Confident | 102 Ų | 102 | 103.5 Ų | 103.5 | 39% | 0.386 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.5 | -33.3 | 175.7 | -68.9 | -24.1 | 0 | 0 | 0 | 113.1 | W358 R361 E362 R369 | W358-W365 HydrophobicContact CH2-CH2 4.43Å; W358-W365 HydrophobicContact CH2-CZ3 4.15Å; W358-W365 HydrophobicContact CZ2-CZ3 4.47Å; R361-W365 HydrophobicContact CG-CD2 4.24Å; R361-W365 HydrophobicContact CG-CH2 4.03Å; R361-W365 HydrophobicContact CG-CZ2 3.7Å; R361-W365 HydrophobicContact CG-CZ3 4.41Å; R361-W365 WeakPolarHBondContact O-CB 3.43Å; R361-W365 VanDerWaalsContact O-CG 3.3Å; R361-W365 PolarHBondContact O-N 2.88Å; E362-W365 PolarHBondContact O-N 3.13Å; W365-R369 VanDerWaalsContact O-CB 3.29Å; W365-R369 WeakPolarHBondContact O-CB 3.43Å; W365-R369 WeakPolarHBondContact O-CG 3.3Å; W365-R369 PolarHBondContact O-N 2.98Å; W365-R369 PolarHBondContact O-NE 3.4Å; W365-R369 VanDerWaalsContact O-NE 3.16Å |
| 366 | A | 89.8 | Confident | 89.7 | Confident | 45 Ų | 45 | 101.5 Ų | 101.5 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E362 A363 E364 R369 S370 | E362-A366 VanDerWaalsContact O-CB 3.3Å; E362-A366 WeakPolarHBondContact O-CB 3.46Å; E362-A366 PolarHBondContact O-N 3.21Å; A363-A366 PolarHBondContact O-N 2.82Å; E364-A366 VanDerWaalsContact C-N 3.3Å; E364-A366 PolarHBondContact O-N 3.36Å; A366-R369 PolarHBondContact O-N 2.85Å; A366-S370 WeakPolarHBondContact O-CB 3.46Å; A366-S370 PolarHBondContact O-N 3.05Å; A366-S370 PolarHBondContact O-OG 2.89Å |
| 367 | R | 92.5 | Very high | 89.8 | Confident | 180 Ų | 180 | 98.9 Ų | 98.9 | 68% | 0.679 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.7 | -48.1 | 174.6 | -71.1 | 171.9 | -174 | 172.8 | 3.1 | 111.2 | A363 E364 R369 S370 A371 | A363-R367 WeakPolarHBondContact O-CG 3.49Å; A363-R367 PolarHBondContact O-N 3.38Å; E364-R367 PolarHBondContact O-N 3.28Å; R367-R369 VanDerWaalsContact C-N 3.34Å; R367-R369 PolarHBondContact O-N 3.36Å; R367-S370 PolarHBondContact O-N 2.88Å; R367-S370 PolarHBondContact O-OG 3.3Å; R367-A371 PolarHBondContact O-N 3.44Å |
| 368 | E | 91.6 | Very high | 90.4 | Very high | 86 Ų | 86 | 98.4 Ų | 98.4 | 40% | 0.402 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 175.9 | -73.9 | -177 | -168.1 | 0 | 0 | 112.1 | E364 A371 R372 | E364-E368 WeakPolarHBondContact O-CG 3.37Å; E364-E368 PolarHBondContact O-N 3Å; E368-A371 PolarHBondContact O-N 3.11Å; E368-R372 VanDerWaalsContact O-CG 3.32Å; E368-R372 WeakPolarHBondContact O-CG 3.31Å; E368-R372 PolarHBondContact O-N 3.12Å; E368-R372 IonicContact OE2-NH2 3.98Å; E368-R372 PolarHBondContact OE2-NH2 3.05Å |
| 369 | R | 88.1 | Confident | 90.8 | Very high | 114 Ų | 114 | 96 Ų | 96 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.9 | -51.2 | 174.5 | -79.6 | -179.4 | -73.5 | 177.9 | -1.4 | 111.1 | E269 W365 A366 R367 A371 R372 D373 | E269-R369 IonicContact OE1-NH1 2.73Å; W365-R369 VanDerWaalsContact O-CB 3.29Å; W365-R369 WeakPolarHBondContact O-CB 3.43Å; W365-R369 WeakPolarHBondContact O-CG 3.3Å; W365-R369 PolarHBondContact O-N 2.98Å; W365-R369 PolarHBondContact O-NE 3.4Å; W365-R369 VanDerWaalsContact O-NE 3.16Å; A366-R369 PolarHBondContact O-N 2.85Å; R367-R369 VanDerWaalsContact C-N 3.34Å; R367-R369 PolarHBondContact O-N 3.36Å; R369-A371 VanDerWaalsContact C-N 3.27Å; R369-A371 PolarHBondContact O-N 3.32Å; R369-R372 PolarHBondContact O-N 2.67Å; R369-R372 VanDerWaalsContact O-N 3.16Å; R369-D373 WeakPolarHBondContact O-CB 3.28Å; R369-D373 VanDerWaalsContact O-CG 3.25Å; R369-D373 PolarHBondContact O-N 3.39Å |
| 370 | S | 90.9 | Very high | 91.1 | Very high | 52 Ų | 52 | 91.2 Ų | 91.2 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60 | -35.9 | 178.9 | 76 | 0 | 0 | 0 | 0 | 113 | A366 R367 D373 K374 | A366-S370 WeakPolarHBondContact O-CB 3.46Å; A366-S370 PolarHBondContact O-N 3.05Å; A366-S370 PolarHBondContact O-OG 2.89Å; R367-S370 PolarHBondContact O-N 2.88Å; R367-S370 PolarHBondContact O-OG 3.3Å; S370-D373 PolarHBondContact O-N 3.13Å; S370-K374 WeakPolarHBondContact O-CB 3.25Å; S370-K374 WeakPolarHBondContact O-CG 3.44Å; S370-K374 PolarHBondContact O-N 2.99Å |
| 371 | A | 93.8 | Very high | 91.2 | Very high | 48 Ų | 48 | 89 Ų | 89 | 40% | 0.397 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.8 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R367 E368 R369 D373 K374 L375 | R367-A371 PolarHBondContact O-N 3.44Å; E368-A371 PolarHBondContact O-N 3.11Å; R369-A371 VanDerWaalsContact C-N 3.27Å; R369-A371 PolarHBondContact O-N 3.32Å; A371-D373 VanDerWaalsContact C-N 3.29Å; A371-D373 PolarHBondContact O-N 3.27Å; A371-K374 PolarHBondContact O-N 3.43Å; A371-L375 WeakPolarHBondContact O-CB 3.47Å; A371-L375 WeakPolarHBondContact O-CG 3.31Å; A371-L375 PolarHBondContact O-N 2.97Å |
| 372 | R | 89.8 | Confident | 91.5 | Very high | 157 Ų | 157 | 84.2 Ų | 84.2 | 59% | 0.592 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.3 | -40.7 | 173.2 | -70.6 | 176 | -170.4 | 170.6 | 10.4 | 111.1 | E368 R369 L375 M376 | E368-R372 VanDerWaalsContact O-CG 3.32Å; E368-R372 WeakPolarHBondContact O-CG 3.31Å; E368-R372 PolarHBondContact O-N 3.12Å; E368-R372 IonicContact OE2-NH2 3.98Å; E368-R372 PolarHBondContact OE2-NH2 3.05Å; R369-R372 PolarHBondContact O-N 2.67Å; R369-R372 VanDerWaalsContact O-N 3.16Å; R372-L375 PolarHBondContact O-N 3.47Å; R372-M376 WeakPolarHBondContact O-CB 3.42Å; R372-M376 VanDerWaalsContact O-CG 3.24Å; R372-M376 WeakPolarHBondContact O-CG 3.47Å; R372-M376 PolarHBondContact O-N 2.88Å |
| 373 | D | 89.4 | Confident | 91.9 | Very high | 71 Ų | 71 | 84.2 Ų | 84.2 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | -179.3 | -70.2 | -30.2 | 0 | 0 | 0 | 111.9 | R258 R369 S370 A371 M376 S377 | R258-D373 IonicContact CZ-OD1 2.72Å; R258-D373 IonicContact NH2-OD1 3.71Å; R258-D373 PolarHBondContact NH2-OD1 3.33Å; R369-D373 WeakPolarHBondContact O-CB 3.28Å; R369-D373 VanDerWaalsContact O-CG 3.25Å; R369-D373 PolarHBondContact O-N 3.39Å; S370-D373 PolarHBondContact O-N 3.13Å; A371-D373 VanDerWaalsContact C-N 3.29Å; A371-D373 PolarHBondContact O-N 3.27Å; D373-M376 PolarHBondContact O-N 2.84Å; D373-S377 WeakPolarHBondContact O-CB 3.27Å; D373-S377 PolarHBondContact O-N 2.91Å |
| 374 | K | 93.5 | Very high | 92.1 | Very high | 129 Ų | 129 | 84.8 Ų | 84.8 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59.3 | -53.4 | 172.6 | -74.4 | 171.2 | -175.8 | -178.4 | 0 | 111.7 | S370 A371 M376 S377 E378 | S370-K374 WeakPolarHBondContact O-CB 3.25Å; S370-K374 WeakPolarHBondContact O-CG 3.44Å; S370-K374 PolarHBondContact O-N 2.99Å; A371-K374 PolarHBondContact O-N 3.43Å; K374-M376 VanDerWaalsContact C-N 3.29Å; K374-M376 PolarHBondContact O-N 3.21Å; K374-S377 WeakPolarHBondContact O-CA 3.49Å; K374-S377 WeakPolarHBondContact O-CB 3.35Å; K374-S377 PolarHBondContact O-N 3.45Å; K374-S377 PolarHBondContact O-OG 2.97Å; K374-E378 WeakPolarHBondContact O-CG 3.34Å; K374-E378 PolarHBondContact O-N 3.41Å |
| 375 | L | 94.4 | Very high | 92.3 | Very high | 105 Ų | 105 | 86.1 Ų | 86.1 | 55% | 0.55 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 178.3 | -73.5 | 172.8 | 0 | 0 | 0 | 111.8 | A371 R372 S377 E378 V379 | A371-L375 WeakPolarHBondContact O-CB 3.47Å; A371-L375 WeakPolarHBondContact O-CG 3.31Å; A371-L375 PolarHBondContact O-N 2.97Å; R372-L375 PolarHBondContact O-N 3.47Å; L375-S377 VanDerWaalsContact C-N 3.33Å; L375-S377 PolarHBondContact O-N 2.99Å; L375-E378 PolarHBondContact O-N 3.07Å; L375-V379 WeakPolarHBondContact O-CG2 3.31Å; L375-V379 PolarHBondContact O-N 3.48Å |
| 376 | M | 91.1 | Very high | 92.5 | Very high | 86 Ų | 86 | 85.6 Ų | 85.6 | 42% | 0.424 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 177.5 | -73.1 | -60.5 | -52.6 | 0 | 0 | 112.3 | R372 D373 K374 E378 V379 L380 | R372-M376 WeakPolarHBondContact O-CB 3.42Å; R372-M376 VanDerWaalsContact O-CG 3.24Å; R372-M376 WeakPolarHBondContact O-CG 3.47Å; R372-M376 PolarHBondContact O-N 2.88Å; D373-M376 PolarHBondContact O-N 2.84Å; K374-M376 VanDerWaalsContact C-N 3.29Å; K374-M376 PolarHBondContact O-N 3.21Å; M376-E378 VanDerWaalsContact C-N 3.34Å; M376-V379 PolarHBondContact O-N 2.86Å; M376-L380 WeakPolarHBondContact O-CB 3.5Å; M376-L380 WeakPolarHBondContact O-CD1 3.39Å; M376-L380 VanDerWaalsContact O-CG 3.29Å; M376-L380 WeakPolarHBondContact O-CG 3.29Å; M376-L380 PolarHBondContact O-N 3.37Å |
| 377 | S | 89.9 | Confident | 92.8 | Very high | 56 Ų | 56 | 83.5 Ų | 83.5 | 39% | 0.392 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 173.9 | 74.4 | 0 | 0 | 0 | 0 | 111.8 | D373 K374 L375 L380 T381 | D373-S377 WeakPolarHBondContact O-CB 3.27Å; D373-S377 PolarHBondContact O-N 2.91Å; K374-S377 WeakPolarHBondContact O-CA 3.49Å; K374-S377 WeakPolarHBondContact O-CB 3.35Å; K374-S377 PolarHBondContact O-N 3.45Å; K374-S377 PolarHBondContact O-OG 2.97Å; L375-S377 VanDerWaalsContact C-N 3.33Å; L375-S377 PolarHBondContact O-N 2.99Å; S377-L380 PolarHBondContact O-N 3.22Å; S377-T381 WeakPolarHBondContact O-CB 3.47Å; S377-T381 VanDerWaalsContact O-CG2 3.29Å; S377-T381 WeakPolarHBondContact O-CG2 3.49Å; S377-T381 PolarHBondContact O-N 3Å; S377-T381 PolarHBondContact O-OG1 3.43Å |
| 378 | E | 94.1 | Very high | 92.9 | Very high | 114 Ų | 114 | 78.9 Ų | 78.9 | 53% | 0.533 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.7 | -69.2 | 165.9 | -169.3 | 0 | 0 | 112 | K374 L375 M376 T381 G382 | K374-E378 WeakPolarHBondContact O-CG 3.34Å; K374-E378 PolarHBondContact O-N 3.41Å; L375-E378 PolarHBondContact O-N 3.07Å; M376-E378 VanDerWaalsContact C-N 3.34Å; E378-T381 WeakPolarHBondContact CA-OG1 3.47Å; E378-T381 PolarHBondContact O-OG1 3.42Å; E378-G382 PolarHBondContact O-N 2.92Å |
| 379 | V | 95.3 | Very high | 93.1 | Very high | 94 Ų | 94 | 80 Ų | 80 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 111 | L375 M376 R383 | L375-V379 WeakPolarHBondContact O-CG2 3.31Å; L375-V379 PolarHBondContact O-N 3.48Å; M376-V379 PolarHBondContact O-N 2.86Å; V379-R383 VanDerWaalsContact O-CB 3.31Å; V379-R383 WeakPolarHBondContact O-CB 3.32Å; V379-R383 PolarHBondContact O-N 3.45Å |
| 380 | L | 92 | Very high | 93.6 | Very high | 26 Ų | 26 | 79 Ų | 79 | 14% | 0.136 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.1 | -48.9 | 180 | -72.3 | 165.9 | 0 | 0 | 0 | 111.7 | L251 E255 M376 S377 G382 R383 Q384 | L251-L380 HydrophobicContact CD2-CD2 4.41Å; E255-L380 HydrophobicContact CG-CD1 3.71Å; E255-L380 HydrophobicContact CG-CD2 3.92Å; E255-L380 HydrophobicContact CG-CG 4.27Å; M376-L380 WeakPolarHBondContact O-CB 3.5Å; M376-L380 WeakPolarHBondContact O-CD1 3.39Å; M376-L380 VanDerWaalsContact O-CG 3.29Å; M376-L380 WeakPolarHBondContact O-CG 3.29Å; M376-L380 PolarHBondContact O-N 3.37Å; S377-L380 PolarHBondContact O-N 3.22Å; L380-G382 PolarHBondContact O-N 2.95Å; L380-R383 PolarHBondContact O-N 2.82Å; L380-Q384 VanDerWaalsContact O-CG 3.31Å; L380-Q384 WeakPolarHBondContact O-CG 3.36Å; L380-Q384 PolarHBondContact O-N 3.46Å |
| 381 | T | 93.6 | Very high | 93.8 | Very high | 66 Ų | 66 | 78 Ų | 78 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 177.8 | 56.2 | 0 | 0 | 0 | 0 | 111.7 | S377 E378 R383 Q384 Q385 | S377-T381 WeakPolarHBondContact O-CB 3.47Å; S377-T381 VanDerWaalsContact O-CG2 3.29Å; S377-T381 WeakPolarHBondContact O-CG2 3.49Å; S377-T381 PolarHBondContact O-N 3Å; S377-T381 PolarHBondContact O-OG1 3.43Å; E378-T381 WeakPolarHBondContact CA-OG1 3.47Å; E378-T381 PolarHBondContact O-OG1 3.42Å; T381-R383 VanDerWaalsContact C-N 3.32Å; T381-R383 PolarHBondContact O-N 2.77Å; T381-Q384 WeakPolarHBondContact O-CB 3.35Å; T381-Q384 PolarHBondContact O-N 3.44Å; T381-Q385 WeakPolarHBondContact O-CB 3.29Å; T381-Q385 VanDerWaalsContact O-CG 3.29Å; T381-Q385 WeakPolarHBondContact O-CG 3.49Å; T381-Q385 PolarHBondContact O-N 3.2Å |
| 382 | G | 95.2 | Very high | 93.9 | Very high | 23 Ų | 23 | 80.5 Ų | 80.5 | 24% | 0.237 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | E378 L380 Q385 Q386 | E378-G382 PolarHBondContact O-N 2.92Å; L380-G382 PolarHBondContact O-N 2.95Å; G382-Q385 PolarHBondContact O-N 2.97Å; G382-Q386 VanDerWaalsContact O-CG 3.28Å; G382-Q386 WeakPolarHBondContact O-CG 3.29Å; G382-Q386 PolarHBondContact O-N 2.93Å |
| 383 | R | 93.8 | Very high | 94.2 | Very high | 90 Ų | 90 | 78.7 Ų | 78.7 | 34% | 0.34 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69 | -39.5 | 175.7 | -175.4 | 61.3 | -179.6 | -174.7 | -3.4 | 112.6 | L251 V379 L380 T381 Q386 I387 | L251-R383 HydrophobicContact CD1-CB 4.25Å; L251-R383 HydrophobicContact CD1-CG 3.45Å; L251-R383 VanDerWaalsContact CD1-CG 3.45Å; L251-R383 HydrophobicContact CD2-CG 4.1Å; L251-R383 HydrophobicContact CG-CG 4.41Å; V379-R383 VanDerWaalsContact O-CB 3.31Å; V379-R383 WeakPolarHBondContact O-CB 3.32Å; V379-R383 PolarHBondContact O-N 3.45Å; L380-R383 PolarHBondContact O-N 2.82Å; T381-R383 VanDerWaalsContact C-N 3.32Å; T381-R383 PolarHBondContact O-N 2.77Å; R383-Q386 PolarHBondContact O-N 2.87Å; R383-I387 HydrophobicContact CG-CD1 4.31Å; R383-I387 WeakPolarHBondContact O-CG1 3.29Å; R383-I387 PolarHBondContact O-N 3.04Å |
| 384 | Q | 93.6 | Very high | 94.5 | Very high | 56 Ų | 56 | 75.7 Ų | 75.7 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 173.6 | -74.4 | 179.7 | -1.4 | 0 | 0 | 111 | E255 L380 T381 I387 Q388 | E255-Q384 PolarHBondContact OE1-NE2 2.73Å; E255-Q384 PolarHBondContact OE2-NE2 3.21Å; E255-Q384 VanDerWaalsContact OE2-NE2 3.12Å; L380-Q384 VanDerWaalsContact O-CG 3.31Å; L380-Q384 WeakPolarHBondContact O-CG 3.36Å; L380-Q384 PolarHBondContact O-N 3.46Å; T381-Q384 WeakPolarHBondContact O-CB 3.35Å; T381-Q384 PolarHBondContact O-N 3.44Å; Q384-I387 PolarHBondContact O-N 3.44Å; Q384-Q388 VanDerWaalsContact O-CG 3.3Å; Q384-Q388 WeakPolarHBondContact O-CG 3.32Å; Q384-Q388 PolarHBondContact O-N 2.96Å |
| 385 | Q | 95.7 | Very high | 94.6 | Very high | 109 Ų | 109 | 77 Ų | 77 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 176.3 | -73.4 | 170.4 | -3.8 | 0 | 0 | 111.3 | T381 G382 I387 Q388 E389 | T381-Q385 WeakPolarHBondContact O-CB 3.29Å; T381-Q385 VanDerWaalsContact O-CG 3.29Å; T381-Q385 WeakPolarHBondContact O-CG 3.49Å; T381-Q385 PolarHBondContact O-N 3.2Å; G382-Q385 PolarHBondContact O-N 2.97Å; Q385-I387 VanDerWaalsContact C-N 3.28Å; Q385-I387 PolarHBondContact O-N 3.28Å; Q385-Q388 PolarHBondContact O-N 3.34Å; Q385-Q388 VanDerWaalsContact O-N 3.13Å; Q385-E389 WeakPolarHBondContact O-CB 3.44Å; Q385-E389 WeakPolarHBondContact O-CG 3.38Å; Q385-E389 PolarHBondContact O-N 2.87Å |
| 386 | Q | 95.5 | Very high | 94.7 | Very high | 90 Ų | 90 | 79 Ų | 79 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.2 | -39.8 | 175.5 | -73.6 | 172.1 | 9 | 0 | 0 | 113 | G382 R383 K390 | G382-Q386 VanDerWaalsContact O-CG 3.28Å; G382-Q386 WeakPolarHBondContact O-CG 3.29Å; G382-Q386 PolarHBondContact O-N 2.93Å; R383-Q386 PolarHBondContact O-N 2.87Å; Q386-K390 WeakPolarHBondContact O-CB 3.5Å; Q386-K390 VanDerWaalsContact O-CG 3.26Å; Q386-K390 WeakPolarHBondContact O-CG 3.47Å; Q386-K390 PolarHBondContact O-N 2.95Å; Q386-K390 VanDerWaalsContact O-N 3.12Å |
| 387 | I | 95.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.4 | -41.2 | 177.6 | -70 | 169.4 | 0 | 0 | 0 | 110.5 | L244 Q247 R248 L251 R383 Q384 Q385 K390 I391 | L244-I387 HydrophobicContact CB-CG2 4.44Å; Q247-I387 HydrophobicContact CB-CD1 3.89Å; R248-I387 HydrophobicContact CB-CG2 4.16Å; L251-I387 HydrophobicContact CD1-CD1 3.28Å; L251-I387 HydrophobicContact CG-CD1 4.45Å; R383-I387 HydrophobicContact CG-CD1 4.31Å; R383-I387 WeakPolarHBondContact O-CG1 3.29Å; R383-I387 PolarHBondContact O-N 3.04Å; Q384-I387 PolarHBondContact O-N 3.44Å; Q385-I387 VanDerWaalsContact C-N 3.28Å; Q385-I387 PolarHBondContact O-N 3.28Å; I387-K390 PolarHBondContact O-N 3.46Å; I387-I391 HydrophobicContact CG2-CD1 3.83Å; I387-I391 HydrophobicContact CG2-CG1 4.38Å; I387-I391 VanDerWaalsContact O-CG1 3.28Å; I387-I391 WeakPolarHBondContact O-CG1 3.24Å; I387-I391 PolarHBondContact O-N 2.88Å |
| 388 | Q | 94.3 | Very high | 95 | Very high | 82 Ų | 82 | 75.9 Ų | 75.9 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 176 | -73 | 173.1 | 2.7 | 0 | 0 | 111.4 | Q384 Q385 K390 I391 E392 | Q384-Q388 VanDerWaalsContact O-CG 3.3Å; Q384-Q388 WeakPolarHBondContact O-CG 3.32Å; Q384-Q388 PolarHBondContact O-N 2.96Å; Q385-Q388 PolarHBondContact O-N 3.34Å; Q385-Q388 VanDerWaalsContact O-N 3.13Å; Q388-K390 VanDerWaalsContact C-N 3.3Å; Q388-K390 PolarHBondContact O-N 3.38Å; Q388-I391 WeakPolarHBondContact O-CB 3.48Å; Q388-I391 PolarHBondContact O-N 3.45Å; Q388-I391 VanDerWaalsContact O-N 3.1Å; Q388-E392 WeakPolarHBondContact O-CG 3.49Å; Q388-E392 PolarHBondContact O-N 3.15Å |
| 389 | E | 96.7 | Very high | 95 | Very high | 109 Ų | 109 | 74.2 Ų | 74.2 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57 | -43.5 | 174.9 | -73.2 | 172.9 | -176.9 | 0 | 0 | 111.6 | Q385 E392 Q393 | Q385-E389 WeakPolarHBondContact O-CB 3.44Å; Q385-E389 WeakPolarHBondContact O-CG 3.38Å; Q385-E389 PolarHBondContact O-N 2.87Å; E389-E392 PolarHBondContact O-N 2.93Å; E389-Q393 WeakPolarHBondContact O-CB 3.43Å; E389-Q393 VanDerWaalsContact O-CG 3.25Å; E389-Q393 WeakPolarHBondContact O-CG 3.48Å; E389-Q393 PolarHBondContact O-N 3.01Å |
| 390 | K | 96.9 | Very high | 94.9 | Very high | 93 Ų | 93 | 75.2 Ų | 75.2 | 40% | 0.404 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 175.8 | -75.4 | 177.8 | -179.9 | -175 | 0 | 112.7 | L244 Q386 I387 Q388 N394 | L244-K390 HydrophobicContact CD1-CB 3.81Å; L244-K390 HydrophobicContact CD2-CB 3.79Å; L244-K390 HydrophobicContact CD2-CD 3.94Å; L244-K390 HydrophobicContact CG-CB 4.48Å; Q386-K390 WeakPolarHBondContact O-CB 3.5Å; Q386-K390 VanDerWaalsContact O-CG 3.26Å; Q386-K390 WeakPolarHBondContact O-CG 3.47Å; Q386-K390 PolarHBondContact O-N 2.95Å; Q386-K390 VanDerWaalsContact O-N 3.12Å; I387-K390 PolarHBondContact O-N 3.46Å; Q388-K390 VanDerWaalsContact C-N 3.3Å; Q388-K390 PolarHBondContact O-N 3.38Å; K390-N394 VanDerWaalsContact O-CB 3.28Å; K390-N394 WeakPolarHBondContact O-CB 3.36Å; K390-N394 PolarHBondContact O-N 3.27Å |
| 391 | I | 95.2 | Very high | 95 | Very high | 33 Ų | 33 | 74.6 Ų | 74.6 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 174.8 | -71 | 167.9 | 0 | 0 | 0 | 110 | L244 L245 I387 Q388 N394 R395 | L244-I391 HydrophobicContact CB-CD1 4.25Å; L244-I391 HydrophobicContact CB-CG1 3.74Å; L244-I391 HydrophobicContact CD1-CG1 3.94Å; L244-I391 HydrophobicContact CG-CG1 4.43Å; L245-I391 HydrophobicContact CD2-CD1 4.29Å; I387-I391 HydrophobicContact CG2-CD1 3.83Å; I387-I391 HydrophobicContact CG2-CG1 4.38Å; I387-I391 VanDerWaalsContact O-CG1 3.28Å; I387-I391 WeakPolarHBondContact O-CG1 3.24Å; I387-I391 PolarHBondContact O-N 2.88Å; Q388-I391 WeakPolarHBondContact O-CB 3.48Å; Q388-I391 PolarHBondContact O-N 3.45Å; Q388-I391 VanDerWaalsContact O-N 3.1Å; I391-N394 PolarHBondContact O-N 2.96Å; I391-R395 WeakPolarHBondContact O-CB 3.31Å; I391-R395 PolarHBondContact O-N 2.88Å |
| 392 | E | 95.8 | Very high | 95 | Very high | 99 Ų | 99 | 75.8 Ų | 75.8 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 177.1 | -72.5 | -177.5 | -171.8 | 0 | 0 | 112.4 | Q388 E389 R395 R396 | Q388-E392 WeakPolarHBondContact O-CG 3.49Å; Q388-E392 PolarHBondContact O-N 3.15Å; E389-E392 PolarHBondContact O-N 2.93Å; E392-R395 WeakPolarHBondContact O-CB 3.39Å; E392-R395 PolarHBondContact O-N 3.4Å; E392-R396 WeakPolarHBondContact O-CG 3.44Å; E392-R396 PolarHBondContact O-N 3.43Å; E392-R396 IonicContact OE2-NH2 3.74Å |
| 393 | Q | 96.1 | Very high | 94.9 | Very high | 119 Ų | 119 | 80.5 Ų | 80.5 | 56% | 0.556 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 174.4 | -73.3 | 171.1 | 7.3 | 0 | 0 | 111.2 | E389 R395 R396 A397 | E389-Q393 WeakPolarHBondContact O-CB 3.43Å; E389-Q393 VanDerWaalsContact O-CG 3.25Å; E389-Q393 WeakPolarHBondContact O-CG 3.48Å; E389-Q393 PolarHBondContact O-N 3.01Å; Q393-R395 VanDerWaalsContact C-N 3.32Å; Q393-R395 PolarHBondContact O-N 3.48Å; Q393-R396 PolarHBondContact O-N 2.79Å; Q393-A397 WeakPolarHBondContact O-CB 3.21Å; Q393-A397 PolarHBondContact O-N 3.46Å |
| 394 | N | 97.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 80.6 Ų | 80.6 | 5% | 0.048 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 176 | -174.1 | -79.8 | 0 | 0 | 0 | 111.1 | L237 E240 K390 I391 A397 Q398 | L237-N394 WeakPolarHBondContact CD2-ND2 3.49Å; L237-N394 PolarHBondContact O-ND2 3.08Å; L237-N394 PolarHBondContact O-OD1 3.11Å; E240-N394 WeakPolarHBondContact CB-ND2 3.33Å; E240-N394 PolarHBondContact OE2-ND2 3.29Å; K390-N394 VanDerWaalsContact O-CB 3.28Å; K390-N394 WeakPolarHBondContact O-CB 3.36Å; K390-N394 PolarHBondContact O-N 3.27Å; I391-N394 PolarHBondContact O-N 2.96Å; N394-A397 PolarHBondContact O-N 3.16Å; N394-Q398 VanDerWaalsContact O-CG 3.31Å; N394-Q398 WeakPolarHBondContact O-CG 3.42Å; N394-Q398 PolarHBondContact O-N 2.93Å; N394-Q398 PolarHBondContact OD1-NE2 3.45Å |
| 395 | R | 95.3 | Very high | 94.7 | Very high | 157 Ų | 157 | 82.1 Ų | 82.1 | 59% | 0.592 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.2 | -46.2 | 174.4 | -178.2 | -177.9 | 171.8 | 168.1 | 4.5 | 112.2 | I391 E392 Q393 A397 Q398 E399 | I391-R395 WeakPolarHBondContact O-CB 3.31Å; I391-R395 PolarHBondContact O-N 2.88Å; E392-R395 WeakPolarHBondContact O-CB 3.39Å; E392-R395 PolarHBondContact O-N 3.4Å; Q393-R395 VanDerWaalsContact C-N 3.32Å; Q393-R395 PolarHBondContact O-N 3.48Å; R395-A397 VanDerWaalsContact C-N 3.33Å; R395-A397 PolarHBondContact O-N 2.99Å; R395-Q398 WeakPolarHBondContact O-CB 3.44Å; R395-Q398 PolarHBondContact O-N 2.65Å; R395-E399 IonicContact CZ-OE1 3.39Å; R395-E399 IonicContact NE-OE1 2.85Å; R395-E399 PolarHBondContact NE-OE1 3.18Å; R395-E399 IonicContact NH2-OE1 3.85Å; R395-E399 WeakPolarHBondContact O-CG 3.43Å; R395-E399 PolarHBondContact O-N 3.32Å |
| 396 | R | 96.2 | Very high | 94.6 | Very high | 145 Ų | 145 | 82.1 Ų | 82.1 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 175.9 | -69.4 | 174.4 | -166 | 171.1 | 9 | 111.1 | E392 Q393 Q398 E399 E400 | E392-R396 WeakPolarHBondContact O-CG 3.44Å; E392-R396 PolarHBondContact O-N 3.43Å; E392-R396 IonicContact OE2-NH2 3.74Å; Q393-R396 PolarHBondContact O-N 2.79Å; R396-Q398 VanDerWaalsContact C-N 3.32Å; R396-Q398 PolarHBondContact O-N 3.27Å; R396-E399 PolarHBondContact O-N 2.87Å; R396-E400 WeakPolarHBondContact O-CG 3.29Å; R396-E400 PolarHBondContact O-N 3.41Å |
| 397 | A | 95.1 | Very high | 94.6 | Very high | 34 Ų | 34 | 82.6 Ų | 82.6 | 28% | 0.281 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L237 Q393 N394 R395 S401 | L237-A397 HydrophobicContact CD1-CB 4.14Å; L237-A397 HydrophobicContact CD2-CB 4.03Å; Q393-A397 WeakPolarHBondContact O-CB 3.21Å; Q393-A397 PolarHBondContact O-N 3.46Å; N394-A397 PolarHBondContact O-N 3.16Å; R395-A397 VanDerWaalsContact C-N 3.33Å; R395-A397 PolarHBondContact O-N 2.99Å; A397-S401 VanDerWaalsContact O-CB 3.32Å; A397-S401 WeakPolarHBondContact O-CB 3.32Å; A397-S401 PolarHBondContact O-N 3.46Å |
| 398 | Q | 92.3 | Very high | 94.5 | Very high | 43 Ų | 43 | 83.4 Ų | 83.4 | 20% | 0.201 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 172.8 | -72.1 | -179 | 17.8 | 0 | 0 | 111.4 | L237 N394 R395 R396 E400 S401 L402 | L237-Q398 HydrophobicContact CB-CG 3.82Å; L237-Q398 HydrophobicContact CD1-CG 3.92Å; L237-Q398 HydrophobicContact CG-CG 4.45Å; N394-Q398 VanDerWaalsContact O-CG 3.31Å; N394-Q398 WeakPolarHBondContact O-CG 3.42Å; N394-Q398 PolarHBondContact O-N 2.93Å; N394-Q398 PolarHBondContact OD1-NE2 3.45Å; R395-Q398 WeakPolarHBondContact O-CB 3.44Å; R395-Q398 PolarHBondContact O-N 2.65Å; R396-Q398 VanDerWaalsContact C-N 3.32Å; R396-Q398 PolarHBondContact O-N 3.27Å; Q398-E400 VanDerWaalsContact C-N 3.35Å; Q398-E400 PolarHBondContact O-N 3.33Å; Q398-S401 PolarHBondContact O-N 2.97Å; Q398-L402 WeakPolarHBondContact O-CB 3.34Å; Q398-L402 VanDerWaalsContact O-CG 3.27Å; Q398-L402 WeakPolarHBondContact O-CG 3.48Å; Q398-L402 PolarHBondContact O-N 3.31Å |
| 399 | E | 94.4 | Very high | 94.5 | Very high | 79 Ų | 79 | 82.5 Ų | 82.5 | 37% | 0.369 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 178 | -72 | 172.4 | -168.6 | 0 | 0 | 111.9 | R395 R396 L402 K403 | R395-E399 IonicContact CZ-OE1 3.39Å; R395-E399 IonicContact NE-OE1 2.85Å; R395-E399 PolarHBondContact NE-OE1 3.18Å; R395-E399 IonicContact NH2-OE1 3.85Å; R395-E399 WeakPolarHBondContact O-CG 3.43Å; R395-E399 PolarHBondContact O-N 3.32Å; R396-E399 PolarHBondContact O-N 2.87Å; E399-L402 PolarHBondContact O-N 3.11Å; E399-K403 WeakPolarHBondContact O-CG 3.18Å; E399-K403 PolarHBondContact O-N 3.34Å |
| 400 | E | 94 | Very high | 94.4 | Very high | 115 Ų | 115 | 82.2 Ų | 82.2 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64 | -48.7 | 173.4 | -72.8 | 171.4 | -173.2 | 0 | 0 | 111.2 | R396 Q398 L402 K403 H404 | R396-E400 WeakPolarHBondContact O-CG 3.29Å; R396-E400 PolarHBondContact O-N 3.41Å; Q398-E400 VanDerWaalsContact C-N 3.35Å; Q398-E400 PolarHBondContact O-N 3.33Å; E400-L402 VanDerWaalsContact C-N 3.25Å; E400-L402 PolarHBondContact O-N 3.24Å; E400-K403 PolarHBondContact O-N 3.49Å; E400-K403 VanDerWaalsContact O-N 3.17Å; E400-H404 PolarHBondContact O-N 2.9Å; E400-H404 PolarHBondContact O-ND1 3.42Å |
| 401 | S | 92.9 | Very high | 94.2 | Very high | 14 Ų | 14 | 81.2 Ų | 81.2 | 10% | 0.098 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.1 | -39.9 | 177.1 | -173.6 | 0 | 0 | 0 | 0 | 112 | A397 Q398 R405 | A397-S401 VanDerWaalsContact O-CB 3.32Å; A397-S401 WeakPolarHBondContact O-CB 3.32Å; A397-S401 PolarHBondContact O-N 3.46Å; Q398-S401 PolarHBondContact O-N 2.97Å; S401-R405 WeakPolarHBondContact O-CB 3.48Å; S401-R405 PolarHBondContact O-N 3.22Å |
| 402 | L | 93.9 | Very high | 94 | Very high | 90 Ų | 90 | 81.2 Ų | 81.2 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 175.1 | -72.4 | 173.1 | 0 | 0 | 0 | 112.2 | Q398 E399 E400 H404 R405 E406 | Q398-L402 WeakPolarHBondContact O-CB 3.34Å; Q398-L402 VanDerWaalsContact O-CG 3.27Å; Q398-L402 WeakPolarHBondContact O-CG 3.48Å; Q398-L402 PolarHBondContact O-N 3.31Å; E399-L402 PolarHBondContact O-N 3.11Å; E400-L402 VanDerWaalsContact C-N 3.25Å; E400-L402 PolarHBondContact O-N 3.24Å; L402-H404 VanDerWaalsContact C-N 3.32Å; L402-H404 PolarHBondContact O-N 3.48Å; L402-R405 WeakPolarHBondContact O-CB 3.3Å; L402-R405 PolarHBondContact O-N 2.95Å; L402-R405 VanDerWaalsContact O-N 3.15Å; L402-E406 WeakPolarHBondContact O-CG 3.49Å; L402-E406 PolarHBondContact O-N 3Å |
| 403 | K | 93.9 | Very high | 93.9 | Very high | 122 Ų | 122 | 81.1 Ų | 81.1 | 53% | 0.53 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 177.3 | -72.4 | 172 | -174.2 | 174.5 | 0 | 112.1 | E399 E400 E406 Q407 | E399-K403 WeakPolarHBondContact O-CG 3.18Å; E399-K403 PolarHBondContact O-N 3.34Å; E400-K403 PolarHBondContact O-N 3.49Å; E400-K403 VanDerWaalsContact O-N 3.17Å; K403-E406 PolarHBondContact O-N 2.75Å; K403-Q407 VanDerWaalsContact O-CG 3.28Å; K403-Q407 WeakPolarHBondContact O-CG 3.26Å; K403-Q407 PolarHBondContact O-N 3.4Å |
| 404 | H | 89.9 | Confident | 93.8 | Very high | 93 Ų | 93 | 81.1 Ų | 81.1 | 43% | 0.431 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 177.3 | -69.1 | 85.4 | 0 | 0 | 0 | 111.5 | E400 L402 Q407 L408 | E400-H404 PolarHBondContact O-N 2.9Å; E400-H404 PolarHBondContact O-ND1 3.42Å; L402-H404 VanDerWaalsContact C-N 3.32Å; L402-H404 PolarHBondContact O-N 3.48Å; H404-Q407 PolarHBondContact O-N 2.93Å; H404-L408 WeakPolarHBondContact O-CG 3.36Å; H404-L408 PolarHBondContact O-N 2.86Å |
| 405 | R | 93.4 | Very high | 93.5 | Very high | 87 Ų | 87 | 82.4 Ų | 82.4 | 33% | 0.328 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 174.6 | -175.6 | -173.1 | 177.4 | 161.7 | 10.5 | 111.5 | L227 E231 S401 L402 L408 I409 | L227-R405 HydrophobicContact CD2-CB 4.28Å; L227-R405 HydrophobicContact CD2-CG 3.56Å; E231-R405 IonicContact OE1-CZ 2.96Å; E231-R405 IonicContact OE1-NH1 3.31Å; E231-R405 IonicContact OE1-NH2 2.79Å; E231-R405 PolarHBondContact OE1-NH2 3.47Å; S401-R405 WeakPolarHBondContact O-CB 3.48Å; S401-R405 PolarHBondContact O-N 3.22Å; L402-R405 WeakPolarHBondContact O-CB 3.3Å; L402-R405 PolarHBondContact O-N 2.95Å; L402-R405 VanDerWaalsContact O-N 3.15Å; R405-L408 PolarHBondContact O-N 3.5Å; R405-I409 HydrophobicContact CG-CD1 3.97Å; R405-I409 VanDerWaalsContact O-CG1 3.3Å; R405-I409 WeakPolarHBondContact O-CG1 3.49Å; R405-I409 PolarHBondContact O-N 2.89Å |
| 406 | E | 93.6 | Very high | 93.3 | Very high | 109 Ų | 109 | 82.6 Ų | 82.6 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 177 | -74.1 | 170.4 | -178.5 | 0 | 0 | 111.3 | L402 K403 I409 Q410 | L402-E406 WeakPolarHBondContact O-CG 3.49Å; L402-E406 PolarHBondContact O-N 3Å; K403-E406 PolarHBondContact O-N 2.75Å; E406-I409 PolarHBondContact O-N 3.49Å; E406-Q410 WeakPolarHBondContact O-CB 3.46Å; E406-Q410 VanDerWaalsContact O-CG 3.27Å; E406-Q410 WeakPolarHBondContact O-CG 3.48Å; E406-Q410 PolarHBondContact O-N 3.16Å |
| 407 | Q | 93.6 | Very high | 93.2 | Very high | 100 Ų | 100 | 80.9 Ų | 80.9 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 174.8 | -71.7 | 167.5 | -9.5 | 0 | 0 | 112 | K403 H404 I409 Q410 N411 | K403-Q407 VanDerWaalsContact O-CG 3.28Å; K403-Q407 WeakPolarHBondContact O-CG 3.26Å; K403-Q407 PolarHBondContact O-N 3.4Å; H404-Q407 PolarHBondContact O-N 2.93Å; Q407-I409 VanDerWaalsContact C-N 3.34Å; Q407-I409 PolarHBondContact O-N 3.18Å; Q407-Q410 PolarHBondContact O-N 2.89Å; Q407-N411 PolarHBondContact O-N 3.34Å; Q407-N411 PolarHBondContact O-ND2 3.4Å; Q407-N411 PolarHBondContact O-OD1 3.43Å |
| 408 | L | 93.7 | Very high | 92.8 | Very high | 19 Ų | 19 | 81.7 Ų | 81.7 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 177 | -72.9 | 171.3 | 0 | 0 | 0 | 111.8 | Q223 E226 L227 H404 R405 N411 L412 | Q223-L408 HydrophobicContact CG-CD2 4.42Å; E226-L408 HydrophobicContact CB-CD1 4.1Å; L227-L408 HydrophobicContact CD1-CB 4.07Å; L227-L408 HydrophobicContact CD2-CB 3.68Å; L227-L408 HydrophobicContact CD2-CD1 3.89Å; L227-L408 HydrophobicContact CD2-CG 4.45Å; L227-L408 HydrophobicContact CG-CB 3.76Å; L227-L408 HydrophobicContact CG-CD1 3.87Å; L227-L408 HydrophobicContact CG-CG 4.44Å; H404-L408 WeakPolarHBondContact O-CG 3.36Å; H404-L408 PolarHBondContact O-N 2.86Å; R405-L408 PolarHBondContact O-N 3.5Å; L408-N411 PolarHBondContact O-N 2.79Å; L408-L412 WeakPolarHBondContact O-CD1 3.34Å; L408-L412 VanDerWaalsContact O-CG 3.24Å; L408-L412 WeakPolarHBondContact O-CG 3.45Å; L408-L412 PolarHBondContact O-N 2.92Å; L408-L412 VanDerWaalsContact O-N 3.07Å |
| 409 | I | 94.6 | Very high | 92.7 | Very high | 63 Ų | 63 | 81.5 Ų | 81.5 | 32% | 0.323 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 175.8 | -68.9 | 167.9 | 0 | 0 | 0 | 110.9 | L227 R405 E406 Q407 N411 L412 E413 | L227-I409 HydrophobicContact CD1-CG1 4.3Å; L227-I409 HydrophobicContact CD2-CG1 4.3Å; R405-I409 HydrophobicContact CG-CD1 3.97Å; R405-I409 VanDerWaalsContact O-CG1 3.3Å; R405-I409 WeakPolarHBondContact O-CG1 3.49Å; R405-I409 PolarHBondContact O-N 2.89Å; E406-I409 PolarHBondContact O-N 3.49Å; Q407-I409 VanDerWaalsContact C-N 3.34Å; Q407-I409 PolarHBondContact O-N 3.18Å; I409-N411 PolarHBondContact O-N 2.96Å; I409-L412 PolarHBondContact O-N 2.92Å; I409-E413 HydrophobicContact CG2-CG 4.37Å; I409-E413 WeakPolarHBondContact O-CG 3.28Å; I409-E413 PolarHBondContact O-N 2.83Å |
| 410 | Q | 94.8 | Very high | 92.6 | Very high | 104 Ų | 104 | 84.1 Ų | 84.1 | 49% | 0.486 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 176.8 | -74.6 | 170.7 | 9.1 | 0 | 0 | 111.3 | E406 Q407 L412 E413 E414 | E406-Q410 WeakPolarHBondContact O-CB 3.46Å; E406-Q410 VanDerWaalsContact O-CG 3.27Å; E406-Q410 WeakPolarHBondContact O-CG 3.48Å; E406-Q410 PolarHBondContact O-N 3.16Å; Q407-Q410 PolarHBondContact O-N 2.89Å; Q410-L412 VanDerWaalsContact C-N 3.31Å; Q410-L412 PolarHBondContact O-N 3.24Å; Q410-E413 PolarHBondContact O-N 3.05Å; Q410-E413 VanDerWaalsContact O-N 3.17Å; Q410-E414 WeakPolarHBondContact O-CG 3.5Å; Q410-E414 PolarHBondContact O-N 3.36Å |
| 411 | N | 92 | Very high | 92.5 | Very high | 72 Ų | 72 | 86.1 Ų | 86.1 | 39% | 0.385 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 177.5 | -66.6 | -15.1 | 0 | 0 | 0 | 111.8 | Q407 L408 I409 E414 A415 | Q407-N411 PolarHBondContact O-N 3.34Å; Q407-N411 PolarHBondContact O-ND2 3.4Å; Q407-N411 PolarHBondContact O-OD1 3.43Å; L408-N411 PolarHBondContact O-N 2.79Å; I409-N411 PolarHBondContact O-N 2.96Å; N411-E414 PolarHBondContact O-N 3.04Å; N411-A415 WeakPolarHBondContact O-CB 3.37Å; N411-A415 PolarHBondContact O-N 3.35Å |
| 412 | L | 91.4 | Very high | 92.2 | Very high | 33 Ų | 33 | 91 Ų | 91 | 17% | 0.173 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 177.2 | -71.1 | 168.7 | 0 | 0 | 0 | 112.6 | L220 Q223 M224 L227 L408 I409 Q410 R416 | L220-L412 HydrophobicContact CD2-CD2 3.54Å; Q223-L412 HydrophobicContact CB-CD2 4.1Å; Q223-L412 VanDerWaalsContact OE1-CD2 3.23Å; M224-L412 HydrophobicContact CE-CD1 3.31Å; M224-L412 HydrophobicContact SD-CD1 4.39Å; L227-L412 HydrophobicContact CD1-CD1 3.4Å; L408-L412 WeakPolarHBondContact O-CD1 3.34Å; L408-L412 VanDerWaalsContact O-CG 3.24Å; L408-L412 WeakPolarHBondContact O-CG 3.45Å; L408-L412 PolarHBondContact O-N 2.92Å; L408-L412 VanDerWaalsContact O-N 3.07Å; I409-L412 PolarHBondContact O-N 2.92Å; Q410-L412 VanDerWaalsContact C-N 3.31Å; Q410-L412 PolarHBondContact O-N 3.24Å; L412-R416 VanDerWaalsContact O-CB 3.3Å; L412-R416 WeakPolarHBondContact O-CB 3.39Å; L412-R416 PolarHBondContact O-N 3.47Å |
| 413 | E | 93.6 | Very high | 92 | Very high | 97 Ų | 97 | 93.2 Ų | 93.2 | 45% | 0.453 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 175 | -76.5 | -175.3 | -173.9 | 0 | 0 | 112.1 | I409 Q410 R416 K417 | I409-E413 HydrophobicContact CG2-CG 4.37Å; I409-E413 WeakPolarHBondContact O-CG 3.28Å; I409-E413 PolarHBondContact O-N 2.83Å; Q410-E413 PolarHBondContact O-N 3.05Å; Q410-E413 VanDerWaalsContact O-N 3.17Å; E413-R416 PolarHBondContact O-N 3.39Å; E413-K417 WeakPolarHBondContact O-CB 3.26Å; E413-K417 VanDerWaalsContact O-CG 3.25Å; E413-K417 WeakPolarHBondContact O-CG 3.33Å; E413-K417 PolarHBondContact O-N 3.28Å |
| 414 | E | 93.6 | Very high | 92 | Very high | 119 Ų | 119 | 92.7 Ų | 92.7 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.2 | -48.8 | 174.7 | -74.1 | 178.1 | -178.4 | 0 | 0 | 111.1 | Q410 N411 R416 K417 S418 | Q410-E414 WeakPolarHBondContact O-CG 3.5Å; Q410-E414 PolarHBondContact O-N 3.36Å; N411-E414 PolarHBondContact O-N 3.04Å; E414-R416 VanDerWaalsContact C-N 3.27Å; E414-R416 PolarHBondContact O-N 3.03Å; E414-K417 PolarHBondContact O-N 3.4Å; E414-S418 PolarHBondContact O-N 3Å; E414-S418 PolarHBondContact O-OG 3.09Å |
| 415 | A | 91.3 | Very high | 92 | Very high | 35 Ų | 35 | 93.8 Ų | 93.8 | 29% | 0.289 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.1 | -38.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L220 N411 S418 A419 | L220-A415 HydrophobicContact CD2-CB 4.07Å; N411-A415 WeakPolarHBondContact O-CB 3.37Å; N411-A415 PolarHBondContact O-N 3.35Å; A415-S418 WeakPolarHBondContact CA-OG 3.34Å; A415-S418 PolarHBondContact O-OG 3.26Å; A415-A419 VanDerWaalsContact O-CB 3.24Å; A415-A419 WeakPolarHBondContact O-CB 3.34Å; A415-A419 PolarHBondContact O-N 3.27Å |
| 416 | R | 91.7 | Very high | 91.7 | Very high | 162 Ų | 162 | 91.7 Ų | 91.7 | 61% | 0.611 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.1 | -37 | 175.1 | -171.9 | -180 | -176.2 | -173.4 | 4.3 | 112.2 | L412 E413 E414 R420 | L412-R416 VanDerWaalsContact O-CB 3.3Å; L412-R416 WeakPolarHBondContact O-CB 3.39Å; L412-R416 PolarHBondContact O-N 3.47Å; E413-R416 PolarHBondContact O-N 3.39Å; E414-R416 VanDerWaalsContact C-N 3.27Å; E414-R416 PolarHBondContact O-N 3.03Å; R416-R420 VanDerWaalsContact O-CG 3.31Å; R416-R420 WeakPolarHBondContact O-CG 3.4Å; R416-R420 PolarHBondContact O-N 2.82Å; R416-R420 VanDerWaalsContact O-N 3.15Å |
| 417 | K | 93.5 | Very high | 91.7 | Very high | 109 Ų | 109 | 92.5 Ų | 92.5 | 47% | 0.474 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71.2 | -43.6 | 177.5 | -74.3 | 168 | -170.3 | 165 | 0 | 111.2 | E413 E414 R420 R421 | E413-K417 WeakPolarHBondContact O-CB 3.26Å; E413-K417 VanDerWaalsContact O-CG 3.25Å; E413-K417 WeakPolarHBondContact O-CG 3.33Å; E413-K417 PolarHBondContact O-N 3.28Å; E414-K417 PolarHBondContact O-N 3.4Å; K417-R420 PolarHBondContact O-N 3.44Å; K417-R421 WeakPolarHBondContact O-CG 3.4Å; K417-R421 PolarHBondContact O-N 3.38Å |
| 418 | S | 87.5 | Confident | 91.7 | Very high | 50 Ų | 50 | 93.8 Ų | 93.8 | 35% | 0.35 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 175.8 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | E414 A415 R420 R421 E422 | E414-S418 PolarHBondContact O-N 3Å; E414-S418 PolarHBondContact O-OG 3.09Å; A415-S418 WeakPolarHBondContact CA-OG 3.34Å; A415-S418 PolarHBondContact O-OG 3.26Å; S418-R420 PolarHBondContact O-N 2.88Å; S418-R421 PolarHBondContact O-N 2.94Å; S418-E422 PolarHBondContact O-N 3.45Å |
| 419 | A | 89.3 | Confident | 91.6 | Very high | 40 Ų | 40 | 98.9 Ų | 98.9 | 33% | 0.331 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -27.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A415 K423 | A415-A419 VanDerWaalsContact O-CB 3.24Å; A415-A419 WeakPolarHBondContact O-CB 3.34Å; A415-A419 PolarHBondContact O-N 3.27Å; A419-K423 WeakPolarHBondContact O-CD 3.34Å; A419-K423 VanDerWaalsContact O-CG 3.22Å; A419-K423 WeakPolarHBondContact O-CG 3.37Å; A419-K423 PolarHBondContact O-N 3.1Å |
| 420 | R | 92 | Very high | 91.5 | Very high | 133 Ų | 133 | 102.6 Ų | 102.6 | 50% | 0.502 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72 | -47 | 171.3 | -80.9 | 176.2 | 174.8 | -172.4 | -4.3 | 111.8 | R416 K417 S418 K423 E424 | R416-R420 VanDerWaalsContact O-CG 3.31Å; R416-R420 WeakPolarHBondContact O-CG 3.4Å; R416-R420 PolarHBondContact O-N 2.82Å; R416-R420 VanDerWaalsContact O-N 3.15Å; K417-R420 PolarHBondContact O-N 3.44Å; S418-R420 PolarHBondContact O-N 2.88Å; R420-K423 WeakPolarHBondContact O-CB 3.42Å; R420-K423 PolarHBondContact O-N 2.84Å; R420-E424 WeakPolarHBondContact O-CG 3.29Å; R420-E424 PolarHBondContact O-N 3.4Å |
| 421 | R | 91.8 | Very high | 91.4 | Very high | 157 Ų | 157 | 100.3 Ų | 100.3 | 59% | 0.592 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.9 | -46.4 | 177.9 | -70.5 | 173.8 | -177.1 | 166.5 | -0.2 | 111.8 | K417 S418 K423 E424 E425 | K417-R421 WeakPolarHBondContact O-CG 3.4Å; K417-R421 PolarHBondContact O-N 3.38Å; S418-R421 PolarHBondContact O-N 2.94Å; R421-K423 VanDerWaalsContact C-N 3.26Å; R421-K423 PolarHBondContact O-N 2.92Å; R421-E424 PolarHBondContact O-N 3.04Å; R421-E425 WeakPolarHBondContact O-CB 3.33Å; R421-E425 WeakPolarHBondContact O-CG 3.26Å; R421-E425 PolarHBondContact O-N 2.72Å |
| 422 | E | 88.2 | Confident | 91.5 | Very high | 117 Ų | 117 | 99.3 Ų | 99.3 | 55% | 0.547 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -37 | 177.5 | -72.6 | 172.8 | -171 | 0 | 0 | 112.1 | S418 S426 | S418-E422 PolarHBondContact O-N 3.45Å; E422-S426 VanDerWaalsContact O-CB 3.27Å; E422-S426 WeakPolarHBondContact O-CB 3.44Å; E422-S426 PolarHBondContact O-N 2.93Å |
| 423 | K | 89.4 | Confident | 91.5 | Very high | 137 Ų | 137 | 104 Ų | 104 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.8 | -49 | 173.8 | -76.3 | 174.8 | -176 | -175.9 | 0 | 111.5 | A419 R420 R421 S426 E427 | A419-K423 WeakPolarHBondContact O-CD 3.34Å; A419-K423 VanDerWaalsContact O-CG 3.22Å; A419-K423 WeakPolarHBondContact O-CG 3.37Å; A419-K423 PolarHBondContact O-N 3.1Å; R420-K423 WeakPolarHBondContact O-CB 3.42Å; R420-K423 PolarHBondContact O-N 2.84Å; R421-K423 VanDerWaalsContact C-N 3.26Å; R421-K423 PolarHBondContact O-N 2.92Å; K423-S426 PolarHBondContact O-N 3.39Å; K423-S426 PolarHBondContact O-OG 3.34Å; K423-E427 WeakPolarHBondContact O-CG 3.46Å; K423-E427 PolarHBondContact O-N 3.38Å |
| 424 | E | 92.6 | Very high | 91.5 | Very high | 111 Ų | 111 | 105.4 Ų | 105.4 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.3 | -50.2 | 177 | -71.9 | 166.6 | -174.2 | 0 | 0 | 110.7 | R420 R421 S426 E427 E428 | R420-E424 WeakPolarHBondContact O-CG 3.29Å; R420-E424 PolarHBondContact O-N 3.4Å; R421-E424 PolarHBondContact O-N 3.04Å; E424-S426 VanDerWaalsContact C-N 3.33Å; E424-S426 PolarHBondContact O-N 3.17Å; E424-E427 PolarHBondContact O-N 2.66Å; E424-E427 VanDerWaalsContact O-N 3.09Å; E424-E428 WeakPolarHBondContact O-CG 3.37Å; E424-E428 PolarHBondContact O-N 3.17Å |
| 425 | E | 91.3 | Very high | 91.5 | Very high | 115 Ų | 115 | 105.7 Ų | 105.7 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 175.3 | -71.7 | 174.2 | -172.2 | 0 | 0 | 112.1 | R421 E427 E428 L429 | R421-E425 WeakPolarHBondContact O-CB 3.33Å; R421-E425 WeakPolarHBondContact O-CG 3.26Å; R421-E425 PolarHBondContact O-N 2.72Å; E425-E427 VanDerWaalsContact C-N 3.32Å; E425-E427 PolarHBondContact O-N 3.38Å; E425-E428 PolarHBondContact O-N 2.9Å; E425-L429 WeakPolarHBondContact O-CB 3.32Å; E425-L429 VanDerWaalsContact O-CG 3.27Å; E425-L429 WeakPolarHBondContact O-CG 3.38Å; E425-L429 PolarHBondContact O-N 3.48Å |
| 426 | S | 87 | Confident | 91.7 | Very high | 43 Ų | 43 | 108.3 Ų | 108.3 | 30% | 0.301 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -34.8 | 176.9 | 83.4 | 0 | 0 | 0 | 0 | 112.7 | E422 K423 E424 K430 | E422-S426 VanDerWaalsContact O-CB 3.27Å; E422-S426 WeakPolarHBondContact O-CB 3.44Å; E422-S426 PolarHBondContact O-N 2.93Å; K423-S426 PolarHBondContact O-N 3.39Å; K423-S426 PolarHBondContact O-OG 3.34Å; E424-S426 VanDerWaalsContact C-N 3.33Å; E424-S426 PolarHBondContact O-N 3.17Å; S426-K430 WeakPolarHBondContact O-CB 3.42Å; S426-K430 WeakPolarHBondContact O-CD 3.41Å; S426-K430 WeakPolarHBondContact O-CG 3.22Å; S426-K430 PolarHBondContact O-N 3.44Å; S426-K430 VanDerWaalsContact O-N 3.08Å |
| 427 | E | 92.2 | Very high | 91.7 | Very high | 127 Ų | 127 | 104.4 Ų | 104.4 | 59% | 0.593 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.3 | -41.9 | 176.3 | -74.8 | -180 | 178.9 | 0 | 0 | 110.9 | K423 E424 E425 K430 S431 | K423-E427 WeakPolarHBondContact O-CG 3.46Å; K423-E427 PolarHBondContact O-N 3.38Å; E424-E427 PolarHBondContact O-N 2.66Å; E424-E427 VanDerWaalsContact O-N 3.09Å; E425-E427 VanDerWaalsContact C-N 3.32Å; E425-E427 PolarHBondContact O-N 3.38Å; E427-K430 PolarHBondContact O-N 3.42Å; E427-S431 WeakPolarHBondContact O-CB 3.13Å; E427-S431 PolarHBondContact O-N 2.9Å; E427-S431 PolarHBondContact O-OG 3.38Å |
| 428 | E | 93.5 | Very high | 91.8 | Very high | 127 Ų | 127 | 104.3 Ų | 104.3 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.5 | -49.8 | 173.4 | -74.4 | -179.6 | 179.3 | 0 | 0 | 111 | E424 E425 K430 S431 A432 | E424-E428 WeakPolarHBondContact O-CG 3.37Å; E424-E428 PolarHBondContact O-N 3.17Å; E425-E428 PolarHBondContact O-N 2.9Å; E428-K430 VanDerWaalsContact C-N 3.34Å; E428-K430 PolarHBondContact O-N 3.37Å; E428-S431 WeakPolarHBondContact CA-OG 3.35Å; E428-S431 PolarHBondContact O-N 3.29Å; E428-S431 VanDerWaalsContact O-N 3.11Å; E428-S431 PolarHBondContact O-OG 2.87Å; E428-A432 WeakPolarHBondContact O-CB 3.2Å; E428-A432 PolarHBondContact O-N 2.84Å |
| 429 | L | 92.2 | Very high | 92.1 | Very high | 126 Ų | 126 | 104.7 Ų | 104.7 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60 | -41.5 | 176.5 | -71.3 | 172.4 | 0 | 0 | 0 | 112.3 | E425 S431 R433 | E425-L429 WeakPolarHBondContact O-CB 3.32Å; E425-L429 VanDerWaalsContact O-CG 3.27Å; E425-L429 WeakPolarHBondContact O-CG 3.38Å; E425-L429 PolarHBondContact O-N 3.48Å; L429-S431 VanDerWaalsContact C-N 3.35Å; L429-R433 VanDerWaalsContact O-CB 3.29Å; L429-R433 WeakPolarHBondContact O-CB 3.42Å; L429-R433 PolarHBondContact O-N 2.94Å |
| 430 | K | 92.3 | Very high | 92.3 | Very high | 141 Ų | 141 | 106.4 Ų | 106.4 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -42.1 | 174.4 | -74.8 | 166.1 | -170.2 | 167.3 | 0 | 111.5 | S426 E427 E428 K434 | S426-K430 WeakPolarHBondContact O-CB 3.42Å; S426-K430 WeakPolarHBondContact O-CD 3.41Å; S426-K430 WeakPolarHBondContact O-CG 3.22Å; S426-K430 PolarHBondContact O-N 3.44Å; S426-K430 VanDerWaalsContact O-N 3.08Å; E427-K430 PolarHBondContact O-N 3.42Å; E428-K430 VanDerWaalsContact C-N 3.34Å; E428-K430 PolarHBondContact O-N 3.37Å; K430-K434 WeakPolarHBondContact O-CB 3.19Å; K430-K434 PolarHBondContact O-N 3.08Å |
| 431 | S | 92.3 | Very high | 92.4 | Very high | 55 Ų | 55 | 103.3 Ų | 103.3 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 179.5 | 77 | 0 | 0 | 0 | 0 | 111.9 | E427 E428 L429 K434 Q435 | E427-S431 WeakPolarHBondContact O-CB 3.13Å; E427-S431 PolarHBondContact O-N 2.9Å; E427-S431 PolarHBondContact O-OG 3.38Å; E428-S431 WeakPolarHBondContact CA-OG 3.35Å; E428-S431 PolarHBondContact O-N 3.29Å; E428-S431 VanDerWaalsContact O-N 3.11Å; E428-S431 PolarHBondContact O-OG 2.87Å; L429-S431 VanDerWaalsContact C-N 3.35Å; S431-K434 WeakPolarHBondContact O-CB 3.45Å; S431-K434 PolarHBondContact O-N 3.01Å; S431-Q435 WeakPolarHBondContact O-CG 3.26Å; S431-Q435 PolarHBondContact O-N 3.01Å |
| 432 | A | 94.3 | Very high | 92.4 | Very high | 51 Ų | 51 | 98.3 Ų | 98.3 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E428 K434 Q435 E436 | E428-A432 WeakPolarHBondContact O-CB 3.2Å; E428-A432 PolarHBondContact O-N 2.84Å; A432-K434 VanDerWaalsContact C-N 3.32Å; A432-K434 PolarHBondContact O-N 3.46Å; A432-Q435 PolarHBondContact O-N 2.95Å; A432-E436 WeakPolarHBondContact O-CB 3.42Å; A432-E436 PolarHBondContact O-N 3.13Å |
| 433 | R | 91.7 | Very high | 92.6 | Very high | 131 Ų | 131 | 98.3 Ų | 98.3 | 49% | 0.494 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 175.9 | -173.7 | 57.8 | 174 | -178.6 | 0.8 | 112.2 | L429 E436 L437 | L429-R433 VanDerWaalsContact O-CB 3.29Å; L429-R433 WeakPolarHBondContact O-CB 3.42Å; L429-R433 PolarHBondContact O-N 2.94Å; R433-E436 WeakPolarHBondContact CD-OE2 3.45Å; R433-E436 IonicContact CZ-OE2 3.49Å; R433-E436 IonicContact NE-OE2 3.74Å; R433-E436 VanDerWaalsContact NH1-CD 3.26Å; R433-E436 IonicContact NH1-OE1 2.98Å; R433-E436 PolarHBondContact NH1-OE1 3.06Å; R433-E436 IonicContact NH1-OE2 3.79Å; R433-E436 PolarHBondContact NH1-OE2 2.99Å; R433-E436 PolarHBondContact O-N 3.4Å; R433-L437 HydrophobicContact CG-CD1 4.41Å; R433-L437 WeakPolarHBondContact O-CG 3.29Å; R433-L437 PolarHBondContact O-N 2.99Å |
| 434 | K | 94.4 | Very high | 92.7 | Very high | 127 Ų | 127 | 100.2 Ų | 100.2 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.9 | -46.8 | 175.1 | 179.9 | 179.9 | 169.1 | -176.5 | 0 | 111.1 | K430 S431 A432 E436 L437 E438 | K430-K434 WeakPolarHBondContact O-CB 3.19Å; K430-K434 PolarHBondContact O-N 3.08Å; S431-K434 WeakPolarHBondContact O-CB 3.45Å; S431-K434 PolarHBondContact O-N 3.01Å; A432-K434 VanDerWaalsContact C-N 3.32Å; A432-K434 PolarHBondContact O-N 3.46Å; K434-E436 VanDerWaalsContact C-N 3.35Å; K434-E436 PolarHBondContact O-N 3.43Å; K434-L437 PolarHBondContact O-N 2.86Å; K434-E438 WeakPolarHBondContact CE-OE1 3.39Å; K434-E438 HydrophobicContact CG-CG 4.5Å; K434-E438 IonicContact NZ-OE1 2.75Å; K434-E438 WeakPolarHBondContact O-CB 3.47Å; K434-E438 WeakPolarHBondContact O-CG 3.42Å; K434-E438 PolarHBondContact O-N 3.5Å |
| 435 | Q | 93.6 | Very high | 92.6 | Very high | 126 Ų | 126 | 103.6 Ų | 103.6 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.1 | -41.4 | 177.1 | -71.6 | 173.3 | 2.9 | 0 | 0 | 112 | S431 A432 L437 E438 A439 | S431-Q435 WeakPolarHBondContact O-CG 3.26Å; S431-Q435 PolarHBondContact O-N 3.01Å; A432-Q435 PolarHBondContact O-N 2.95Å; Q435-L437 PolarHBondContact O-N 3.45Å; Q435-E438 PolarHBondContact O-N 3.35Å; Q435-A439 WeakPolarHBondContact O-CB 3.42Å; Q435-A439 PolarHBondContact O-N 3.2Å |
| 436 | E | 94.4 | Very high | 92.7 | Very high | 90 Ų | 90 | 102.9 Ų | 102.9 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 175.5 | -170.7 | -166.3 | 168.3 | 0 | 0 | 111.5 | A432 R433 K434 A439 Q440 | A432-E436 WeakPolarHBondContact O-CB 3.42Å; A432-E436 PolarHBondContact O-N 3.13Å; R433-E436 WeakPolarHBondContact CD-OE2 3.45Å; R433-E436 IonicContact CZ-OE2 3.49Å; R433-E436 IonicContact NE-OE2 3.74Å; R433-E436 VanDerWaalsContact NH1-CD 3.26Å; R433-E436 IonicContact NH1-OE1 2.98Å; R433-E436 PolarHBondContact NH1-OE1 3.06Å; R433-E436 IonicContact NH1-OE2 3.79Å; R433-E436 PolarHBondContact NH1-OE2 2.99Å; R433-E436 PolarHBondContact O-N 3.4Å; K434-E436 VanDerWaalsContact C-N 3.35Å; K434-E436 PolarHBondContact O-N 3.43Å; E436-A439 PolarHBondContact O-N 3.49Å; E436-Q440 WeakPolarHBondContact O-CG 3.43Å; E436-Q440 PolarHBondContact O-N 2.95Å |
| 437 | L | 92.9 | Very high | 92.8 | Very high | 80 Ų | 80 | 105.6 Ų | 105.6 | 42% | 0.419 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 176.5 | -71.4 | 171.6 | 0 | 0 | 0 | 112.1 | R433 K434 Q435 A439 Q440 V441 | R433-L437 HydrophobicContact CG-CD1 4.41Å; R433-L437 WeakPolarHBondContact O-CG 3.29Å; R433-L437 PolarHBondContact O-N 2.99Å; K434-L437 PolarHBondContact O-N 2.86Å; Q435-L437 PolarHBondContact O-N 3.45Å; L437-A439 VanDerWaalsContact C-N 3.29Å; L437-A439 PolarHBondContact O-N 3.02Å; L437-Q440 PolarHBondContact O-N 2.97Å; L437-V441 VanDerWaalsContact O-CG2 3.32Å; L437-V441 WeakPolarHBondContact O-CG2 3.46Å; L437-V441 PolarHBondContact O-N 3.46Å |
| 438 | E | 94.7 | Very high | 92.7 | Very high | 106 Ų | 106 | 102 Ų | 102 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 174.7 | -75.6 | 173.5 | 174.9 | 0 | 0 | 111.3 | K434 Q435 V441 A442 | K434-E438 WeakPolarHBondContact CE-OE1 3.39Å; K434-E438 HydrophobicContact CG-CG 4.5Å; K434-E438 IonicContact NZ-OE1 2.75Å; K434-E438 WeakPolarHBondContact O-CB 3.47Å; K434-E438 WeakPolarHBondContact O-CG 3.42Å; K434-E438 PolarHBondContact O-N 3.5Å; Q435-E438 PolarHBondContact O-N 3.35Å; E438-V441 PolarHBondContact O-N 3.46Å; E438-A442 WeakPolarHBondContact O-CB 3.32Å; E438-A442 PolarHBondContact O-N 2.92Å |
| 439 | A | 94 | Very high | 92.5 | Very high | 59 Ų | 59 | 103.2 Ų | 103.2 | 49% | 0.488 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q435 E436 L437 V441 A442 E443 | Q435-A439 WeakPolarHBondContact O-CB 3.42Å; Q435-A439 PolarHBondContact O-N 3.2Å; E436-A439 PolarHBondContact O-N 3.49Å; L437-A439 VanDerWaalsContact C-N 3.29Å; L437-A439 PolarHBondContact O-N 3.02Å; A439-V441 VanDerWaalsContact C-N 3.33Å; A439-V441 PolarHBondContact O-N 3.39Å; A439-A442 PolarHBondContact O-N 3.13Å; A439-E443 WeakPolarHBondContact O-CB 3.42Å; A439-E443 PolarHBondContact O-N 3.15Å |
| 440 | Q | 93.3 | Very high | 92.5 | Very high | 75 Ų | 75 | 101.8 Ų | 101.8 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 175.8 | -71.8 | 176.7 | 17.9 | 0 | 0 | 112.3 | E436 L437 R444 | E436-Q440 WeakPolarHBondContact O-CG 3.43Å; E436-Q440 PolarHBondContact O-N 2.95Å; L437-Q440 PolarHBondContact O-N 2.97Å; Q440-R444 WeakPolarHBondContact O-CG 3.26Å; Q440-R444 PolarHBondContact O-N 2.91Å |
| 441 | V | 93.8 | Very high | 92.3 | Very high | 68 Ų | 68 | 97.1 Ų | 97.1 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | L437 E438 A439 R444 R445 | L437-V441 VanDerWaalsContact O-CG2 3.32Å; L437-V441 WeakPolarHBondContact O-CG2 3.46Å; L437-V441 PolarHBondContact O-N 3.46Å; E438-V441 PolarHBondContact O-N 3.46Å; A439-V441 VanDerWaalsContact C-N 3.33Å; A439-V441 PolarHBondContact O-N 3.39Å; V441-R444 PolarHBondContact O-N 2.86Å; V441-R445 WeakPolarHBondContact O-CB 3.29Å; V441-R445 VanDerWaalsContact O-CG 3.29Å; V441-R445 WeakPolarHBondContact O-CG 3.4Å; V441-R445 PolarHBondContact O-N 3.43Å |
| 442 | A | 92.8 | Very high | 92.1 | Very high | 52 Ų | 52 | 98.8 Ų | 98.8 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E438 A439 R445 L446 | E438-A442 WeakPolarHBondContact O-CB 3.32Å; E438-A442 PolarHBondContact O-N 2.92Å; A439-A442 PolarHBondContact O-N 3.13Å; A442-R445 WeakPolarHBondContact O-CB 3.38Å; A442-R445 PolarHBondContact O-N 3.4Å; A442-L446 WeakPolarHBondContact O-CB 3.24Å; A442-L446 PolarHBondContact O-N 3.44Å |
| 443 | E | 92.1 | Very high | 91.8 | Very high | 117 Ų | 117 | 99.8 Ų | 99.8 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 176.2 | -172.5 | -178.3 | 179.6 | 0 | 0 | 111.5 | A439 R445 L446 Q447 | A439-E443 WeakPolarHBondContact O-CB 3.42Å; A439-E443 PolarHBondContact O-N 3.15Å; E443-R445 VanDerWaalsContact C-N 3.32Å; E443-R445 PolarHBondContact O-N 2.91Å; E443-L446 WeakPolarHBondContact O-CB 3.37Å; E443-L446 PolarHBondContact O-N 2.87Å; E443-L446 VanDerWaalsContact O-N 3.14Å; E443-Q447 WeakPolarHBondContact O-CG 3.5Å; E443-Q447 PolarHBondContact O-N 2.9Å |
| 444 | R | 90.9 | Very high | 91.3 | Very high | 177 Ų | 177 | 99.4 Ų | 99.4 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.4 | -38.5 | 175.3 | -75.3 | -178.6 | -177.8 | 178.3 | 2 | 113 | Q440 V441 L446 A448 | Q440-R444 WeakPolarHBondContact O-CG 3.26Å; Q440-R444 PolarHBondContact O-N 2.91Å; V441-R444 PolarHBondContact O-N 2.86Å; R444-L446 VanDerWaalsContact C-N 3.31Å; R444-A448 WeakPolarHBondContact O-CB 3.46Å; R444-A448 PolarHBondContact O-N 3.17Å |
| 445 | R | 91.3 | Very high | 90.9 | Very high | 183 Ų | 183 | 99.2 Ų | 99.2 | 69% | 0.691 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.7 | -37.9 | 175.4 | -75.8 | 173.9 | -179.4 | 179.9 | 1.7 | 111.5 | V441 A442 E443 A448 W449 | V441-R445 WeakPolarHBondContact O-CB 3.29Å; V441-R445 VanDerWaalsContact O-CG 3.29Å; V441-R445 WeakPolarHBondContact O-CG 3.4Å; V441-R445 PolarHBondContact O-N 3.43Å; A442-R445 WeakPolarHBondContact O-CB 3.38Å; A442-R445 PolarHBondContact O-N 3.4Å; E443-R445 VanDerWaalsContact C-N 3.32Å; E443-R445 PolarHBondContact O-N 2.91Å; R445-A448 PolarHBondContact O-N 2.87Å; R445-W449 WeakPolarHBondContact O-CB 3.41Å; R445-W449 PolarHBondContact O-N 3.12Å |
| 446 | L | 92.6 | Very high | 90.6 | Very high | 100 Ų | 100 | 98.5 Ų | 98.5 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.1 | -44.2 | 178.7 | -153.4 | 132.5 | 0 | 0 | 0 | 110.9 | A442 E443 R444 A448 W449 E450 | A442-L446 WeakPolarHBondContact O-CB 3.24Å; A442-L446 PolarHBondContact O-N 3.44Å; E443-L446 WeakPolarHBondContact O-CB 3.37Å; E443-L446 PolarHBondContact O-N 2.87Å; E443-L446 VanDerWaalsContact O-N 3.14Å; R444-L446 VanDerWaalsContact C-N 3.31Å; L446-A448 VanDerWaalsContact C-N 3.34Å; L446-A448 PolarHBondContact O-N 3.48Å; L446-W449 PolarHBondContact O-N 3.46Å; L446-E450 HydrophobicContact CD2-CG 4.4Å; L446-E450 VanDerWaalsContact CD2-OE1 3.31Å; L446-E450 WeakPolarHBondContact CD2-OE1 3.45Å; L446-E450 WeakPolarHBondContact O-CG 3.27Å; L446-E450 PolarHBondContact O-N 3.37Å |
| 447 | Q | 89.2 | Confident | 90.2 | Very high | 100 Ų | 100 | 100.1 Ų | 100.1 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 172.4 | -72.1 | 172.3 | -3.5 | 0 | 0 | 112.4 | E443 E450 A451 | E443-Q447 WeakPolarHBondContact O-CG 3.5Å; E443-Q447 PolarHBondContact O-N 2.9Å; Q447-E450 PolarHBondContact O-N 3.13Å; Q447-A451 WeakPolarHBondContact O-CB 3.46Å; Q447-A451 PolarHBondContact O-N 2.86Å |
| 448 | A | 90.6 | Very high | 89.8 | Confident | 51 Ų | 51 | 102.7 Ų | 102.7 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R444 R445 L446 A451 D452 | R444-A448 WeakPolarHBondContact O-CB 3.46Å; R444-A448 PolarHBondContact O-N 3.17Å; R445-A448 PolarHBondContact O-N 2.87Å; L446-A448 VanDerWaalsContact C-N 3.34Å; L446-A448 PolarHBondContact O-N 3.48Å; A448-A451 PolarHBondContact O-N 3.44Å; A448-D452 VanDerWaalsContact O-CG 3.25Å; A448-D452 PolarHBondContact O-N 3.48Å |
| 449 | W | 89.8 | Confident | 89.3 | Confident | 153 Ų | 153 | 102.7 Ų | 102.7 | 58% | 0.58 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -40.5 | 177.2 | 179.3 | 75.8 | 0 | 0 | 0 | 112.9 | R445 L446 D452 Q453 | R445-W449 WeakPolarHBondContact O-CB 3.41Å; R445-W449 PolarHBondContact O-N 3.12Å; L446-W449 PolarHBondContact O-N 3.46Å; W449-D452 PolarHBondContact O-N 2.89Å; W449-Q453 HydrophobicContact CD2-CG 4.31Å; W449-Q453 HydrophobicContact CH2-CG 4.2Å; W449-Q453 HydrophobicContact CZ2-CG 3.85Å; W449-Q453 WeakPolarHBondContact O-CG 3.49Å; W449-Q453 PolarHBondContact O-N 2.95Å |
| 450 | E | 90.9 | Very high | 88.9 | Confident | 95 Ų | 95 | 104.5 Ų | 104.5 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 174.4 | -73.4 | 176 | 170.8 | 0 | 0 | 112 | L446 Q447 Q453 Q454 | L446-E450 HydrophobicContact CD2-CG 4.4Å; L446-E450 VanDerWaalsContact CD2-OE1 3.31Å; L446-E450 WeakPolarHBondContact CD2-OE1 3.45Å; L446-E450 WeakPolarHBondContact O-CG 3.27Å; L446-E450 PolarHBondContact O-N 3.37Å; Q447-E450 PolarHBondContact O-N 3.13Å; E450-Q453 PolarHBondContact O-N 2.9Å; E450-Q454 WeakPolarHBondContact O-CG 3.24Å; E450-Q454 PolarHBondContact O-N 2.95Å |
| 451 | A | 89.5 | Confident | 88.5 | Confident | 43 Ų | 43 | 106.9 Ų | 106.9 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q447 A448 Q453 Q454 E455 | Q447-A451 WeakPolarHBondContact O-CB 3.46Å; Q447-A451 PolarHBondContact O-N 2.86Å; A448-A451 PolarHBondContact O-N 3.44Å; A451-Q453 VanDerWaalsContact C-N 3.28Å; A451-Q453 PolarHBondContact O-N 3.42Å; A451-Q454 PolarHBondContact O-N 3.22Å; A451-Q454 VanDerWaalsContact O-N 3.14Å; A451-E455 PolarHBondContact O-N 3.36Å |
| 452 | D | 87.6 | Confident | 88 | Confident | 90 Ų | 90 | 106.1 Ų | 106.1 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 175.5 | -67.6 | -19.8 | 0 | 0 | 0 | 110.9 | A448 W449 E455 E456 | A448-D452 VanDerWaalsContact O-CG 3.25Å; A448-D452 PolarHBondContact O-N 3.48Å; W449-D452 PolarHBondContact O-N 2.89Å; D452-E455 PolarHBondContact O-N 3.3Å; D452-E456 WeakPolarHBondContact O-CG 3.44Å; D452-E456 PolarHBondContact O-N 3Å |
| 453 | Q | 87.1 | Confident | 87.6 | Confident | 72 Ų | 72 | 109.9 Ų | 109.9 | 34% | 0.336 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 174.5 | -74.9 | -66 | -71 | 0 | 0 | 112.7 | W449 E450 A451 E456 E457 | W449-Q453 HydrophobicContact CD2-CG 4.31Å; W449-Q453 HydrophobicContact CH2-CG 4.2Å; W449-Q453 HydrophobicContact CZ2-CG 3.85Å; W449-Q453 WeakPolarHBondContact O-CG 3.49Å; W449-Q453 PolarHBondContact O-N 2.95Å; E450-Q453 PolarHBondContact O-N 2.9Å; A451-Q453 VanDerWaalsContact C-N 3.28Å; A451-Q453 PolarHBondContact O-N 3.42Å; Q453-E456 PolarHBondContact NE2-OE2 3.33Å; Q453-E456 PolarHBondContact O-N 3.02Å; Q453-E457 WeakPolarHBondContact O-CG 3.38Å; Q453-E457 PolarHBondContact O-N 3.47Å |
| 454 | Q | 82.9 | Confident | 87.2 | Confident | 124 Ų | 124 | 111.1 Ų | 111.1 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -41.3 | 175.5 | -76.2 | -175.6 | -6.9 | 0 | 0 | 111.9 | E450 A451 E456 E457 E458 | E450-Q454 WeakPolarHBondContact O-CG 3.24Å; E450-Q454 PolarHBondContact O-N 2.95Å; A451-Q454 PolarHBondContact O-N 3.22Å; A451-Q454 VanDerWaalsContact O-N 3.14Å; Q454-E456 VanDerWaalsContact C-N 3.34Å; Q454-E457 PolarHBondContact O-N 3.21Å; Q454-E458 WeakPolarHBondContact O-CB 3.47Å; Q454-E458 WeakPolarHBondContact O-CG 3.34Å; Q454-E458 PolarHBondContact O-N 2.56Å |
| 455 | E | 84.8 | Confident | 87 | Confident | 122 Ų | 122 | 107.4 Ų | 107.4 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -42.6 | 174.2 | -74.4 | -172.5 | 174.9 | 0 | 0 | 111.3 | A451 D452 E457 E458 E459 | A451-E455 PolarHBondContact O-N 3.36Å; D452-E455 PolarHBondContact O-N 3.3Å; E455-E457 PolarHBondContact O-N 3.23Å; E455-E458 PolarHBondContact O-N 3.13Å; E455-E459 WeakPolarHBondContact O-CB 3.35Å; E455-E459 WeakPolarHBondContact O-CG 3.43Å; E455-E459 PolarHBondContact O-N 3.23Å |
| 456 | E | 86.7 | Confident | 86.5 | Confident | 111 Ų | 111 | 104.8 Ų | 104.8 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.6 | -76 | -177.1 | 163.7 | 0 | 0 | 112.4 | D452 Q453 Q454 E459 E460 | D452-E456 WeakPolarHBondContact O-CG 3.44Å; D452-E456 PolarHBondContact O-N 3Å; Q453-E456 PolarHBondContact NE2-OE2 3.33Å; Q453-E456 PolarHBondContact O-N 3.02Å; Q454-E456 VanDerWaalsContact C-N 3.34Å; E456-E459 PolarHBondContact O-N 3.01Å; E456-E460 WeakPolarHBondContact O-CG 3.46Å; E456-E460 PolarHBondContact O-N 2.71Å |
| 457 | E | 86.4 | Confident | 86.2 | Confident | 125 Ų | 125 | 106.3 Ų | 106.3 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 176 | -74.1 | -177.2 | 169.2 | 0 | 0 | 111.9 | Q453 Q454 E455 E459 E460 E461 | Q453-E457 WeakPolarHBondContact O-CG 3.38Å; Q453-E457 PolarHBondContact O-N 3.47Å; Q454-E457 PolarHBondContact O-N 3.21Å; E455-E457 PolarHBondContact O-N 3.23Å; E457-E459 VanDerWaalsContact C-N 3.34Å; E457-E459 PolarHBondContact O-N 2.97Å; E457-E460 PolarHBondContact O-N 3.47Å; E457-E461 WeakPolarHBondContact O-CG 3.47Å; E457-E461 PolarHBondContact O-N 3.1Å |
| 458 | E | 85.2 | Confident | 85.9 | Confident | 134 Ų | 134 | 107.3 Ų | 107.3 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 175.8 | -74.9 | -171.9 | 175.2 | 0 | 0 | 111.7 | Q454 E455 E461 A462 | Q454-E458 WeakPolarHBondContact O-CB 3.47Å; Q454-E458 WeakPolarHBondContact O-CG 3.34Å; Q454-E458 PolarHBondContact O-N 2.56Å; E455-E458 PolarHBondContact O-N 3.13Å; E458-E461 PolarHBondContact O-N 3.32Å; E458-A462 VanDerWaalsContact O-CB 3.31Å; E458-A462 WeakPolarHBondContact O-CB 3.34Å; E458-A462 PolarHBondContact O-N 3.35Å |
| 459 | E | 83.7 | Confident | 85.3 | Confident | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 173.3 | -79.8 | -166.7 | 179.8 | 0 | 0 | 112 | E455 E456 E457 A462 R463 | E455-E459 WeakPolarHBondContact O-CB 3.35Å; E455-E459 WeakPolarHBondContact O-CG 3.43Å; E455-E459 PolarHBondContact O-N 3.23Å; E456-E459 PolarHBondContact O-N 3.01Å; E457-E459 VanDerWaalsContact C-N 3.34Å; E457-E459 PolarHBondContact O-N 2.97Å; E459-A462 PolarHBondContact O-N 2.78Å; E459-R463 WeakPolarHBondContact O-CB 3.4Å; E459-R463 WeakPolarHBondContact O-CG 3.39Å; E459-R463 PolarHBondContact O-N 3.26Å; E459-R463 IonicContact OE2-CZ 2.63Å; E459-R463 IonicContact OE2-NH2 3.83Å; E459-R463 PolarHBondContact OE2-NH2 3.42Å |
| 460 | E | 85.4 | Confident | 85 | Confident | 98 Ų | 98 | 104.8 Ų | 104.8 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 175.3 | -80.2 | -155.9 | 176.5 | 0 | 0 | 112.1 | E456 E457 R463 R464 | E456-E460 WeakPolarHBondContact O-CG 3.46Å; E456-E460 PolarHBondContact O-N 2.71Å; E457-E460 PolarHBondContact O-N 3.47Å; E460-R463 PolarHBondContact O-N 2.9Å; E460-R464 VanDerWaalsContact O-CG 3.26Å; E460-R464 WeakPolarHBondContact O-CG 3.38Å; E460-R464 PolarHBondContact O-N 3.41Å; E460-R464 IonicContact OE2-CZ 3.82Å; E460-R464 IonicContact OE2-NH2 3.9Å; E460-R464 PolarHBondContact OE2-NH2 3.22Å |
| 461 | E | 84.8 | Confident | 84.7 | Confident | 125 Ų | 125 | 102.2 Ų | 102.2 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.3 | -44.3 | 175.1 | -73.1 | -167.6 | 166.8 | 0 | 0 | 111.4 | E457 E458 R463 R464 V465 | E457-E461 WeakPolarHBondContact O-CG 3.47Å; E457-E461 PolarHBondContact O-N 3.1Å; E458-E461 PolarHBondContact O-N 3.32Å; E461-R463 VanDerWaalsContact C-N 3.34Å; E461-R463 PolarHBondContact O-N 3.29Å; E461-R464 WeakPolarHBondContact O-CB 2.9Å; E461-R464 PolarHBondContact O-N 2.95Å; E461-R464 VanDerWaalsContact O-N 3.14Å; E461-V465 WeakPolarHBondContact O-CG2 3.29Å; E461-V465 PolarHBondContact O-N 2.91Å |
| 462 | A | 83.1 | Confident | 84.4 | Confident | 52 Ų | 52 | 105.3 Ų | 105.3 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E458 E459 R464 V465 E466 | E458-A462 VanDerWaalsContact O-CB 3.31Å; E458-A462 WeakPolarHBondContact O-CB 3.34Å; E458-A462 PolarHBondContact O-N 3.35Å; E459-A462 PolarHBondContact O-N 2.78Å; A462-R464 VanDerWaalsContact C-N 3.34Å; A462-R464 PolarHBondContact O-N 2.95Å; A462-V465 PolarHBondContact O-N 3.49Å; A462-E466 PolarHBondContact O-N 3.22Å |
| 463 | R | 85.6 | Confident | 84.2 | Confident | 131 Ų | 131 | 106.1 Ų | 106.1 | 49% | 0.494 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 174.5 | -72.1 | 176.4 | -137 | -173.5 | 4.4 | 112 | E459 E460 E461 E466 Q467 | E459-R463 WeakPolarHBondContact O-CB 3.4Å; E459-R463 WeakPolarHBondContact O-CG 3.39Å; E459-R463 PolarHBondContact O-N 3.26Å; E459-R463 IonicContact OE2-CZ 2.63Å; E459-R463 IonicContact OE2-NH2 3.83Å; E459-R463 PolarHBondContact OE2-NH2 3.42Å; E460-R463 PolarHBondContact O-N 2.9Å; E461-R463 VanDerWaalsContact C-N 3.34Å; E461-R463 PolarHBondContact O-N 3.29Å; R463-E466 PolarHBondContact O-N 3.31Å; R463-Q467 WeakPolarHBondContact O-CB 3.41Å; R463-Q467 VanDerWaalsContact O-CG 3.23Å; R463-Q467 WeakPolarHBondContact O-CG 3.3Å; R463-Q467 PolarHBondContact O-N 2.94Å |
| 464 | R | 84.3 | Confident | 83.8 | Confident | 143 Ų | 143 | 108.2 Ų | 108.2 | 54% | 0.54 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 176 | -71.1 | 170.4 | -166.4 | -179.2 | 10.2 | 111.4 | E460 E461 A462 Q467 L468 | E460-R464 VanDerWaalsContact O-CG 3.26Å; E460-R464 WeakPolarHBondContact O-CG 3.38Å; E460-R464 PolarHBondContact O-N 3.41Å; E460-R464 IonicContact OE2-CZ 3.82Å; E460-R464 IonicContact OE2-NH2 3.9Å; E460-R464 PolarHBondContact OE2-NH2 3.22Å; E461-R464 WeakPolarHBondContact O-CB 2.9Å; E461-R464 PolarHBondContact O-N 2.95Å; E461-R464 VanDerWaalsContact O-N 3.14Å; A462-R464 VanDerWaalsContact C-N 3.34Å; A462-R464 PolarHBondContact O-N 2.95Å; R464-Q467 PolarHBondContact O-N 2.92Å; R464-L468 VanDerWaalsContact O-CG 3.3Å; R464-L468 WeakPolarHBondContact O-CG 3.47Å; R464-L468 PolarHBondContact O-N 3.37Å |
| 465 | V | 85.4 | Confident | 83.6 | Confident | 98 Ų | 98 | 108.2 Ų | 108.2 | 59% | 0.594 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 175.6 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | E461 A462 L468 S469 | E461-V465 WeakPolarHBondContact O-CG2 3.29Å; E461-V465 PolarHBondContact O-N 2.91Å; A462-V465 PolarHBondContact O-N 3.49Å; V465-L468 PolarHBondContact O-N 3.33Å; V465-S469 WeakPolarHBondContact O-CB 3.17Å; V465-S469 PolarHBondContact O-N 2.78Å |
| 466 | E | 82 | Confident | 83.2 | Confident | 128 Ų | 128 | 108.6 Ų | 108.6 | 60% | 0.598 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.7 | -46.6 | 173.8 | -79.3 | -172.7 | 163.2 | 0 | 0 | 111.5 | A462 R463 L468 S469 D470 | A462-E466 PolarHBondContact O-N 3.22Å; R463-E466 PolarHBondContact O-N 3.31Å; E466-L468 VanDerWaalsContact C-N 3.32Å; E466-L468 PolarHBondContact O-N 2.9Å; E466-S469 WeakPolarHBondContact O-CB 3.2Å; E466-S469 PolarHBondContact O-N 2.97Å; E466-S469 VanDerWaalsContact O-N 3.16Å; E466-D470 WeakPolarHBondContact O-CB 3.31Å; E466-D470 PolarHBondContact O-N 3.35Å |
| 467 | Q | 84.4 | Confident | 82.7 | Confident | 133 Ų | 133 | 106 Ų | 106 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.7 | -39.2 | 176.8 | -74 | 172.7 | 17.2 | 0 | 0 | 112.8 | R463 R464 A471 | R463-Q467 WeakPolarHBondContact O-CB 3.41Å; R463-Q467 VanDerWaalsContact O-CG 3.23Å; R463-Q467 WeakPolarHBondContact O-CG 3.3Å; R463-Q467 PolarHBondContact O-N 2.94Å; R464-Q467 PolarHBondContact O-N 2.92Å; Q467-A471 VanDerWaalsContact O-CB 3.29Å; Q467-A471 WeakPolarHBondContact O-CB 3.16Å; Q467-A471 PolarHBondContact O-N 3.33Å |
| 468 | L | 84.3 | Confident | 82.3 | Confident | 121 Ų | 121 | 106.2 Ų | 106.2 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.1 | -42.4 | 174.7 | -72 | 172.4 | 0 | 0 | 0 | 111.6 | R464 V465 E466 A471 L472 | R464-L468 VanDerWaalsContact O-CG 3.3Å; R464-L468 WeakPolarHBondContact O-CG 3.47Å; R464-L468 PolarHBondContact O-N 3.37Å; V465-L468 PolarHBondContact O-N 3.33Å; E466-L468 VanDerWaalsContact C-N 3.32Å; E466-L468 PolarHBondContact O-N 2.9Å; L468-A471 PolarHBondContact O-N 2.8Å; L468-L472 WeakPolarHBondContact O-CG 3.2Å; L468-L472 PolarHBondContact O-N 2.94Å |
| 469 | S | 78.1 | Confident | 81.7 | Confident | 60 Ų | 60 | 102.9 Ų | 102.9 | 42% | 0.42 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 174.7 | -176 | 0 | 0 | 0 | 0 | 111.2 | V465 E466 A471 L472 L473 | V465-S469 WeakPolarHBondContact O-CB 3.17Å; V465-S469 PolarHBondContact O-N 2.78Å; E466-S469 WeakPolarHBondContact O-CB 3.2Å; E466-S469 PolarHBondContact O-N 2.97Å; E466-S469 VanDerWaalsContact O-N 3.16Å; S469-A471 VanDerWaalsContact C-N 3.34Å; S469-A471 PolarHBondContact O-N 2.94Å; S469-L472 WeakPolarHBondContact O-CB 3.46Å; S469-L472 PolarHBondContact O-N 3.02Å; S469-L473 WeakPolarHBondContact O-CB 3.23Å; S469-L473 PolarHBondContact O-N 3.49Å |
| 470 | D | 83.4 | Confident | 80.8 | Confident | 90 Ų | 90 | 103 Ų | 103 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 177 | -79.4 | -13.6 | 0 | 0 | 0 | 112 | E466 L473 Q474 | E466-D470 WeakPolarHBondContact O-CB 3.31Å; E466-D470 PolarHBondContact O-N 3.35Å; D470-L473 WeakPolarHBondContact O-CB 3.25Å; D470-L473 PolarHBondContact O-N 3.45Å; D470-Q474 WeakPolarHBondContact O-CB 3.08Å; D470-Q474 VanDerWaalsContact O-CG 3.31Å; D470-Q474 WeakPolarHBondContact O-CG 3.22Å; D470-Q474 PolarHBondContact O-N 2.81Å |
| 471 | A | 84.9 | Confident | 80.1 | Confident | 41 Ų | 41 | 102.2 Ų | 102.2 | 34% | 0.339 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q467 L468 S469 Q474 Q475 | Q467-A471 VanDerWaalsContact O-CB 3.29Å; Q467-A471 WeakPolarHBondContact O-CB 3.16Å; Q467-A471 PolarHBondContact O-N 3.33Å; L468-A471 PolarHBondContact O-N 2.8Å; S469-A471 VanDerWaalsContact C-N 3.34Å; S469-A471 PolarHBondContact O-N 2.94Å; A471-Q474 PolarHBondContact O-N 3.33Å; A471-Q475 WeakPolarHBondContact O-CG 3.03Å; A471-Q475 PolarHBondContact O-N 2.86Å |
| 472 | L | 83.1 | Confident | 79.4 | Confident | 108 Ų | 108 | 105 Ų | 105 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | 172.5 | -72.1 | 170.8 | 0 | 0 | 0 | 110.9 | L468 S469 Q474 Q475 E476 | L468-L472 WeakPolarHBondContact O-CG 3.2Å; L468-L472 PolarHBondContact O-N 2.94Å; S469-L472 WeakPolarHBondContact O-CB 3.46Å; S469-L472 PolarHBondContact O-N 3.02Å; L472-Q474 VanDerWaalsContact C-N 3.32Å; L472-Q474 PolarHBondContact O-N 3.25Å; L472-Q475 PolarHBondContact O-N 2.93Å; L472-Q475 VanDerWaalsContact O-N 3.15Å; L472-E476 WeakPolarHBondContact O-CB 3.32Å; L472-E476 PolarHBondContact O-N 3.2Å |
| 473 | L | 81.9 | Confident | 78.3 | Confident | 107 Ų | 107 | 108.3 Ų | 108.3 | 56% | 0.56 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.6 | -40.2 | 176.4 | -124.3 | 147.6 | 0 | 0 | 0 | 112 | S469 D470 E476 A477 | S469-L473 WeakPolarHBondContact O-CB 3.23Å; S469-L473 PolarHBondContact O-N 3.49Å; D470-L473 WeakPolarHBondContact O-CB 3.25Å; D470-L473 PolarHBondContact O-N 3.45Å; L473-E476 PolarHBondContact O-N 2.86Å; L473-A477 VanDerWaalsContact O-CB 3.22Å; L473-A477 WeakPolarHBondContact O-CB 3.42Å; L473-A477 PolarHBondContact O-N 3.43Å |
| 474 | Q | 78.9 | Confident | 77.2 | Confident | 116 Ų | 116 | 103.8 Ų | 103.8 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.9 | -37.5 | 175.2 | -74.1 | -178.5 | 19.7 | 0 | 0 | 112.7 | D470 A471 L472 E476 K478 | D470-Q474 WeakPolarHBondContact O-CB 3.08Å; D470-Q474 VanDerWaalsContact O-CG 3.31Å; D470-Q474 WeakPolarHBondContact O-CG 3.22Å; D470-Q474 PolarHBondContact O-N 2.81Å; A471-Q474 PolarHBondContact O-N 3.33Å; L472-Q474 VanDerWaalsContact C-N 3.32Å; L472-Q474 PolarHBondContact O-N 3.25Å; Q474-E476 VanDerWaalsContact C-N 3.34Å; Q474-K478 WeakPolarHBondContact O-CB 3.5Å; Q474-K478 WeakPolarHBondContact O-CG 3.46Å; Q474-K478 PolarHBondContact O-N 3.41Å |
| 475 | Q | 79.3 | Confident | 75.8 | Confident | 125 Ų | 125 | 106.4 Ų | 106.4 | 58% | 0.584 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.6 | -42.6 | 172.8 | -73.5 | -176.7 | 18.3 | 0 | 0 | 110.7 | A471 L472 K478 T479 | A471-Q475 WeakPolarHBondContact O-CG 3.03Å; A471-Q475 PolarHBondContact O-N 2.86Å; L472-Q475 PolarHBondContact O-N 2.93Å; L472-Q475 VanDerWaalsContact O-N 3.15Å; Q475-K478 WeakPolarHBondContact O-CB 3.3Å; Q475-K478 PolarHBondContact O-N 2.84Å; Q475-T479 WeakPolarHBondContact O-CG2 3.34Å; Q475-T479 PolarHBondContact O-N 3.44Å; Q475-T479 PolarHBondContact O-OG1 3.35Å |
| 476 | E | 77.4 | Confident | 74.5 | Confident | 129 Ų | 129 | 111 Ų | 111 | 60% | 0.603 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.1 | -37.2 | 177.7 | -159.4 | 158.4 | -165.9 | 0 | 0 | 111.9 | L472 L473 Q474 K478 T479 M480 | L472-E476 WeakPolarHBondContact O-CB 3.32Å; L472-E476 PolarHBondContact O-N 3.2Å; L473-E476 PolarHBondContact O-N 2.86Å; Q474-E476 VanDerWaalsContact C-N 3.34Å; E476-K478 VanDerWaalsContact C-N 3.34Å; E476-K478 PolarHBondContact O-N 3.24Å; E476-T479 VanDerWaalsContact CA-OG1 3.28Å; E476-T479 WeakPolarHBondContact CA-OG1 3.14Å; E476-T479 PolarHBondContact O-N 2.87Å; E476-T479 PolarHBondContact O-OG1 3.04Å; E476-M480 WeakPolarHBondContact O-CB 3.48Å; E476-M480 WeakPolarHBondContact O-CG 3.09Å; E476-M480 PolarHBondContact O-N 3.07Å |
| 477 | A | 75.3 | Confident | 73.4 | Confident | 57 Ų | 57 | 109.5 Ų | 109.5 | 47% | 0.471 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.5 | -38.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L473 A481 | L473-A477 VanDerWaalsContact O-CB 3.22Å; L473-A477 WeakPolarHBondContact O-CB 3.42Å; L473-A477 PolarHBondContact O-N 3.43Å; A477-A481 VanDerWaalsContact O-CB 3.23Å; A477-A481 WeakPolarHBondContact O-CB 3.23Å; A477-A481 PolarHBondContact O-N 2.93Å |
| 478 | K | 78.6 | Confident | 72 | Confident | 129 Ų | 129 | 111 Ų | 111 | 56% | 0.561 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.8 | -38 | 174.9 | -75.6 | 168.6 | -174.6 | 170.8 | 0 | 112.2 | Q474 Q475 E476 K482 | Q474-K478 WeakPolarHBondContact O-CB 3.5Å; Q474-K478 WeakPolarHBondContact O-CG 3.46Å; Q474-K478 PolarHBondContact O-N 3.41Å; Q475-K478 WeakPolarHBondContact O-CB 3.3Å; Q475-K478 PolarHBondContact O-N 2.84Å; E476-K478 VanDerWaalsContact C-N 3.34Å; E476-K478 PolarHBondContact O-N 3.24Å; K478-K482 WeakPolarHBondContact O-CB 3.33Å; K478-K482 VanDerWaalsContact O-CG 3.29Å; K478-K482 WeakPolarHBondContact O-CG 3.41Å; K478-K482 PolarHBondContact O-N 3.43Å; K478-K482 VanDerWaalsContact O-N 3.11Å |
| 479 | T | 71.9 | Confident | 70.4 | Confident | 65 Ų | 65 | 111 Ų | 111 | 40% | 0.399 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70 | -41.3 | 174 | 54.2 | 0 | 0 | 0 | 0 | 110.9 | Q475 E476 K482 Q483 | Q475-T479 WeakPolarHBondContact O-CG2 3.34Å; Q475-T479 PolarHBondContact O-N 3.44Å; Q475-T479 PolarHBondContact O-OG1 3.35Å; E476-T479 VanDerWaalsContact CA-OG1 3.28Å; E476-T479 WeakPolarHBondContact CA-OG1 3.14Å; E476-T479 PolarHBondContact O-N 2.87Å; E476-T479 PolarHBondContact O-OG1 3.04Å; T479-K482 PolarHBondContact O-N 3.21Å; T479-Q483 WeakPolarHBondContact O-CB 3.44Å; T479-Q483 VanDerWaalsContact O-CG 3.32Å; T479-Q483 WeakPolarHBondContact O-CG 3.14Å; T479-Q483 PolarHBondContact O-N 2.95Å |
| 480 | M | 65.4 | Low | 69.1 | Low | 106 Ų | 106 | 118.9 Ų | 118.9 | 52% | 0.522 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.2 | -40.9 | 173.8 | -72.8 | -79.8 | -79.3 | 0 | 0 | 112.2 | E476 K482 Q483 G484 | E476-M480 WeakPolarHBondContact O-CB 3.48Å; E476-M480 WeakPolarHBondContact O-CG 3.09Å; E476-M480 PolarHBondContact O-N 3.07Å; M480-K482 VanDerWaalsContact C-N 3.33Å; M480-K482 PolarHBondContact O-N 3.11Å; M480-Q483 PolarHBondContact O-N 3.34Å; M480-G484 PolarHBondContact O-N 2.93Å |
| 481 | A | 70.7 | Confident | 67.5 | Low | 83 Ų | 83 | 117 Ų | 117 | 69% | 0.686 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65 | -35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A477 | A477-A481 VanDerWaalsContact O-CB 3.23Å; A477-A481 WeakPolarHBondContact O-CB 3.23Å; A477-A481 PolarHBondContact O-N 2.93Å |
| 482 | K | 69.5 | Low | 66 | Low | 182 Ų | 182 | 123.8 Ų | 123.8 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76 | -32.1 | 175.4 | -73.9 | 175.3 | -178.9 | -178.6 | 0 | 113.3 | K478 T479 M480 | K478-K482 WeakPolarHBondContact O-CB 3.33Å; K478-K482 VanDerWaalsContact O-CG 3.29Å; K478-K482 WeakPolarHBondContact O-CG 3.41Å; K478-K482 PolarHBondContact O-N 3.43Å; K478-K482 VanDerWaalsContact O-N 3.11Å; T479-K482 PolarHBondContact O-N 3.21Å; M480-K482 VanDerWaalsContact C-N 3.33Å; M480-K482 PolarHBondContact O-N 3.11Å |
| 483 | Q | 59 | Low | 64.4 | Low | 122 Ų | 122 | 123.5 Ų | 123.5 | 57% | 0.57 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -91.2 | -12.7 | -177.7 | -68.6 | -179 | 13.8 | 0 | 0 | 113.4 | T479 M480 | T479-Q483 WeakPolarHBondContact O-CB 3.44Å; T479-Q483 VanDerWaalsContact O-CG 3.32Å; T479-Q483 WeakPolarHBondContact O-CG 3.14Å; T479-Q483 PolarHBondContact O-N 2.95Å; M480-Q483 PolarHBondContact O-N 3.34Å |
| 484 | G | 62.7 | Low | 63.1 | Low | 37 Ų | 37 | 128.4 Ų | 128.4 | 38% | 0.381 | 65% | 0.647 | S | S | . | * | trans | 70 | 161.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M480 R486 | M480-G484 PolarHBondContact O-N 2.93Å; G484-R486 PolarHBondContact O-N 2.83Å | ||
| 485 | Y | 56 | Low | 61.5 | Low | 198 Ų | 198 | 129.5 Ų | 129.5 | 78% | 0.776 | 66% | 0.655 | S | S | * | * | trans | -61.5 | 110.2 | 177.8 | 178 | -102.2 | 0 | 0 | 0 | 110.6 | P487 | Y485-P487 HydrophobicContact CE1-CB 4.3Å; Y485-P487 WeakPolarHBondContact O-CD 3.49Å | ||
| 486 | R | 58.8 | Low | 60.1 | Low | 193 Ų | 193 | 128 Ų | 128 | 73% | 0.728 | 66% | 0.664 | S | S | * | * | trans | -84.9 | 113.8 | 168.7 | -79.5 | -175.2 | 175.4 | 178.5 | -0.5 | 109 | G484 K488 | G484-R486 PolarHBondContact O-N 2.83Å; R486-K488 PolarHBondContact O-N 2.82Å | ||
| 487 | P | 58.3 | Low | 58.7 | Low | 97 Ų | 97 | 132.9 Ų | 132.9 | 63% | 0.63 | 68% | 0.677 | S | S | * | * | trans | -58.8 | 133 | 171.2 | 23.6 | -31.7 | 0 | 0 | 0 | 109.3 | Y485 P489 | Y485-P487 HydrophobicContact CE1-CB 4.3Å; Y485-P487 WeakPolarHBondContact O-CD 3.49Å; P487-P489 WeakPolarHBondContact O-CD 3.47Å | ||
| 488 | K | 55.1 | Low | 57.3 | Low | 164 Ų | 164 | 141.3 Ų | 141.3 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | trans | -55 | 124 | 175.8 | -79.4 | 179.1 | 176.6 | 178.5 | 0 | 108.8 | R486 Y490 | R486-K488 PolarHBondContact O-N 2.82Å; K488-Y490 PolarHBondContact O-N 3.23Å | ||
| 489 | P | 50.8 | Low | 56.2 | Low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | trans | -68.9 | 103.3 | 174 | 26.1 | -30.1 | 0 | 0 | 0 | 108.2 | P487 G491 | P487-P489 WeakPolarHBondContact O-CD 3.47Å; P489-G491 PolarHBondContact O-N 3.44Å | ||
| 490 | Y | 50 | Low | 55.4 | Low | 225 Ų | 225 | 146 Ų | 146 | 88% | 0.882 | 74% | 0.739 | S | S | * | * | trans | -73.4 | 69.5 | 159.5 | -69.9 | -85.9 | 0 | 0 | 0 | 108 | K488 | K488-Y490 PolarHBondContact O-N 3.23Š| ||
| 491 | G | 50.3 | Low | 54.8 | Low | 51 Ų | 51 | 148.2 Ų | 148.2 | 53% | 0.526 | 75% | 0.751 | S | S | . | * | trans | -130.5 | 110.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | P489 P493 | P489-G491 PolarHBondContact O-N 3.44Å; G491-P493 WeakPolarHBondContact O-CD 3.47Å | ||
| 492 | H | 52.8 | Low | 53.9 | Low | 182 Ų | 182 | 152.1 Ų | 152.1 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -52.8 | 122 | 175.5 | -153.8 | -34.5 | 0 | 0 | 0 | 109.2 | K494 | H492-K494 PolarHBondContact O-N 3.4Å; H492-K494 VanDerWaalsContact O-N 3.16Å | ||
| 493 | P | 50.3 | Low | 52.9 | Low | 102 Ų | 102 | 150.2 Ų | 150.2 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | trans | -66 | 120.3 | 177.9 | -16.1 | 28.6 | 0 | 0 | 0 | 108.6 | G491 I495 | G491-P493 WeakPolarHBondContact O-CD 3.47Å; P493-I495 PolarHBondContact O-N 2.89Å; P493-I495 VanDerWaalsContact O-N 3.11Å | ||
| 494 | K | 54.2 | Low | 52.5 | Low | 210 Ų | 210 | 152.1 Ų | 152.1 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | trans | -68.7 | 104.3 | 161.4 | -92.5 | -178.5 | 174.6 | 178.4 | 0 | 106.8 | H492 A496 | H492-K494 PolarHBondContact O-N 3.4Å; H492-K494 VanDerWaalsContact O-N 3.16Å; K494-A496 PolarHBondContact O-N 3Å | ||
| 495 | I | 45.8 | Very low | 51.8 | Low | 140 Ų | 140 | 160.3 Ų | 160.3 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | trans | -61.7 | 113.9 | 167.9 | -67.4 | 160.6 | 0 | 0 | 0 | 106.8 | P493 W497 | P493-I495 PolarHBondContact O-N 2.89Å; P493-I495 VanDerWaalsContact O-N 3.11Å; I495-W497 PolarHBondContact O-N 3.45Å | ||
| 496 | A | 50.1 | Low | 51.5 | Low | 92 Ų | 92 | 157.4 Ų | 157.4 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -70.9 | 114.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107 | K494 N498 | K494-A496 PolarHBondContact O-N 3Å; A496-N498 PolarHBondContact O-N 3Å | ||
| 497 | W | 46.4 | Very low | 50.9 | Low | 233 Ų | 233 | 154.4 Ų | 154.4 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -63.9 | 120.5 | 168.5 | -77.6 | 74.7 | 0 | 0 | 0 | 109 | I495 | I495-W497 PolarHBondContact O-N 3.45Š| ||
| 498 | N | 46.2 | Very low | 50.2 | Low | 234 Ų | 234 | 159.6 Ų | 159.6 | 100% | 1.251 | 81% | 0.814 | S | S | * | * | trans | -132.5 | 0 | 148 | -85.7 | -22.3 | 0 | 0 | 0 | 107.4 | A496 | A496-N498 PolarHBondContact O-N 3Š|
Retrieved 498 of 498 residues in 2732.3 ms
(Link to these results)