| 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 | 43.7 | Very low | 55.7 | Low | 240 Ų | 240 | 144.1 Ų | 144.1 | 100% | 1.182 | 73% | 0.725 | S | S | * | * | 0 | 100.6 | 0 | -79.4 | 176.1 | 172.2 | 0 | 0 | 108.4 | Q3 | M1-Q3 PolarHBondContact O-N 3.48Š| |||
| 2 | A | 45.9 | Very low | 57.3 | Low | 109 Ų | 109 | 135.8 Ų | 135.8 | 90% | 0.901 | 70% | 0.703 | S | S | * | * | trans | -80 | 112.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y4 | A2-Y4 PolarHBondContact O-N 3.49Š| ||
| 3 | Q | 52.8 | Low | 58.6 | Low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 71% | 0.706 | S | S | * | * | trans | -78.6 | 111.7 | 175 | -77.6 | 177.8 | -15.4 | 0 | 0 | 109.5 | M1 K5 | M1-Q3 PolarHBondContact O-N 3.48Å; Q3-K5 PolarHBondContact O-N 2.88Å | ||
| 4 | Y | 52.1 | Low | 59.9 | Low | 176 Ų | 176 | 133.8 Ų | 133.8 | 69% | 0.69 | 68% | 0.684 | S | S | * | * | trans | -75 | 111.7 | 177.9 | -178.3 | -105.4 | 0 | 0 | 0 | 110.3 | A2 G6 E10 | A2-Y4 PolarHBondContact O-N 3.49Å; Y4-G6 VanDerWaalsContact C-N 3.31Å; Y4-G6 PolarHBondContact O-N 3.42Å; Y4-E10 PolarHBondContact OH-OE2 3.38Å | ||
| 5 | K | 55.9 | Low | 61.1 | Low | 211 Ų | 211 | 133.9 Ų | 133.9 | 92% | 0.917 | 68% | 0.683 | S | S | * | * | trans | -89.3 | 59.7 | 174.7 | -73.6 | -176.1 | 175.7 | 179.2 | 0 | 111.1 | Q3 | Q3-K5 PolarHBondContact O-N 2.88Š| ||
| 6 | G | 53.6 | Low | 62.3 | Low | 25 Ų | 25 | 133.7 Ų | 133.7 | 26% | 0.258 | 68% | 0.678 | S | S | . | * | trans | -87.8 | 150 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y4 | Y4-G6 VanDerWaalsContact C-N 3.31Å; Y4-G6 PolarHBondContact O-N 3.42Å | ||
| 7 | T | 62.7 | Low | 63.7 | Low | 97 Ų | 97 | 131.9 Ų | 131.9 | 60% | 0.595 | 67% | 0.67 | S | S | * | * | trans | -56.1 | 149.4 | -178.7 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | R9 E10 A11 | T7-R9 PolarHBondContact O-N 2.83Å; T7-E10 PolarHBondContact N-OE2 3.45Å; T7-E10 PolarHBondContact O-N 3.27Å; T7-A11 PolarHBondContact O-N 3.41Å | ||
| 8 | M | 58.1 | Low | 64.8 | Low | 183 Ų | 183 | 130.2 Ų | 130.2 | 90% | 0.901 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -50.6 | -25.6 | -175.9 | -85.2 | -158.8 | -79.7 | 0 | 0 | 114.9 | G12 | M8-G12 PolarHBondContact O-N 3.42Å |
| 9 | R | 59.7 | Low | 66.1 | Low | 223 Ų | 223 | 130 Ų | 130 | 84% | 0.842 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.2 | -33.5 | 174.7 | -87.7 | -179.2 | 164.7 | 177.8 | -3.8 | 113.8 | T7 R13 | T7-R9 PolarHBondContact O-N 2.83Å; R9-R13 PolarHBondContact O-N 3.29Å |
| 10 | E | 61.7 | Low | 67.1 | Low | 86 Ų | 86 | 129.6 Ų | 129.6 | 40% | 0.402 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -75.8 | -33.3 | 176.4 | -72.2 | 175.7 | 143.1 | 0 | 0 | 111.7 | Y4 T7 G12 R13 A14 | Y4-E10 PolarHBondContact OH-OE2 3.38Å; T7-E10 PolarHBondContact N-OE2 3.45Å; T7-E10 PolarHBondContact O-N 3.27Å; E10-G12 VanDerWaalsContact C-N 3.32Å; E10-G12 PolarHBondContact O-N 2.9Å; E10-R13 PolarHBondContact O-N 3Å; E10-A14 WeakPolarHBondContact O-CB 3.37Å; E10-A14 PolarHBondContact O-N 3.43Å |
| 11 | A | 66.4 | Low | 68.2 | Low | 53 Ų | 53 | 131.2 Ų | 131.2 | 44% | 0.438 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -61 | -39.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T7 A14 M15 | T7-A11 PolarHBondContact O-N 3.41Å; A11-A14 PolarHBondContact O-N 3.42Å; A11-M15 PolarHBondContact O-N 3.49Å |
| 12 | G | 74.9 | Confident | 70.3 | Confident | 45 Ų | 45 | 125.4 Ų | 125.4 | 46% | 0.464 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.7 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M8 E10 H16 | M8-G12 PolarHBondContact O-N 3.42Å; E10-G12 VanDerWaalsContact C-N 3.32Å; E10-G12 PolarHBondContact O-N 2.9Å; G12-H16 PolarHBondContact O-N 2.92Å |
| 13 | R | 74.8 | Confident | 72.4 | Confident | 195 Ų | 195 | 126 Ų | 126 | 74% | 0.736 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.6 | -41.8 | 174.3 | -73.9 | -176.5 | 176.1 | 177.6 | -1 | 111.8 | R9 E10 H16 L17 | R9-R13 PolarHBondContact O-N 3.29Å; E10-R13 PolarHBondContact O-N 3Å; R13-H16 PolarHBondContact O-N 3.25Å; R13-L17 WeakPolarHBondContact O-CG 3.45Å; R13-L17 PolarHBondContact O-N 3.46Å |
| 14 | A | 76.9 | Confident | 74 | Confident | 48 Ų | 48 | 122.3 Ų | 122.3 | 40% | 0.397 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | E10 A11 H16 L17 L18 | E10-A14 WeakPolarHBondContact O-CB 3.37Å; E10-A14 PolarHBondContact O-N 3.43Å; A11-A14 PolarHBondContact O-N 3.42Å; A14-H16 PolarHBondContact O-N 3.47Å; A14-L17 PolarHBondContact O-N 3.11Å; A14-L18 WeakPolarHBondContact O-CG 3.34Å; A14-L18 PolarHBondContact O-N 2.89Å |
| 15 | M | 76.8 | Confident | 75.8 | Confident | 135 Ų | 135 | 122.9 Ų | 122.9 | 67% | 0.665 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.4 | -42.2 | 173.9 | -90 | -68.5 | -135.6 | 0 | 0 | 112.7 | A11 L17 L18 K19 | A11-M15 PolarHBondContact O-N 3.49Å; M15-L17 PolarHBondContact O-N 2.98Å; M15-L18 PolarHBondContact O-N 3.34Å; M15-K19 WeakPolarHBondContact O-CB 3.39Å; M15-K19 PolarHBondContact O-N 3.35Å |
| 16 | H | 80.8 | Confident | 77.5 | Confident | 131 Ų | 131 | 118 Ų | 118 | 61% | 0.606 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.9 | -38.8 | 178.2 | -166.6 | 79.7 | 0 | 0 | 0 | 112.2 | G12 R13 A14 K19 K20 | G12-H16 PolarHBondContact O-N 2.92Å; R13-H16 PolarHBondContact O-N 3.25Å; A14-H16 PolarHBondContact O-N 3.47Å; H16-K19 PolarHBondContact O-N 3.05Å; H16-K20 WeakPolarHBondContact O-CB 3.48Å; H16-K20 PolarHBondContact O-N 3.5Å |
| 17 | L | 85.6 | Confident | 79.2 | Confident | 103 Ų | 103 | 122.8 Ų | 122.8 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.7 | -37.5 | 175.2 | -71.3 | 171.3 | 0 | 0 | 0 | 112.3 | R13 A14 M15 K20 R21 | R13-L17 WeakPolarHBondContact O-CG 3.45Å; R13-L17 PolarHBondContact O-N 3.46Å; A14-L17 PolarHBondContact O-N 3.11Å; M15-L17 PolarHBondContact O-N 2.98Å; L17-K20 PolarHBondContact O-N 2.98Å; L17-R21 WeakPolarHBondContact O-CG 3.48Å; L17-R21 PolarHBondContact O-N 3.28Å |
| 18 | L | 84.2 | Confident | 80.4 | Confident | 101 Ų | 101 | 124.3 Ų | 124.3 | 53% | 0.529 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64 | -48 | 172.9 | -77.1 | 166.5 | 0 | 0 | 0 | 111.4 | A14 M15 K20 R21 E22 | A14-L18 WeakPolarHBondContact O-CG 3.34Å; A14-L18 PolarHBondContact O-N 2.89Å; M15-L18 PolarHBondContact O-N 3.34Å; L18-K20 VanDerWaalsContact C-N 3.27Å; L18-K20 PolarHBondContact O-N 3.07Å; L18-R21 WeakPolarHBondContact O-CB 3.4Å; L18-R21 PolarHBondContact O-N 3.38Å; L18-R21 VanDerWaalsContact O-N 3.11Å; L18-E22 PolarHBondContact O-N 2.95Å |
| 19 | K | 88.8 | Confident | 82 | Confident | 127 Ų | 127 | 121.5 Ų | 121.5 | 55% | 0.552 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.7 | -34.4 | 176.4 | -168.3 | 169.8 | -172 | 170.1 | 0 | 112.6 | M15 H16 K23 | M15-K19 WeakPolarHBondContact O-CB 3.39Å; M15-K19 PolarHBondContact O-N 3.35Å; H16-K19 PolarHBondContact O-N 3.05Å; K19-K23 PolarHBondContact O-N 2.91Å; K19-K23 VanDerWaalsContact O-N 3.1Å |
| 20 | K | 87.3 | Confident | 83.6 | Confident | 121 Ų | 121 | 115.2 Ų | 115.2 | 53% | 0.526 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.3 | -40.2 | 174.4 | -169 | 171.5 | -176.8 | 177 | 0 | 111.8 | H16 L17 L18 Q24 | H16-K20 WeakPolarHBondContact O-CB 3.48Å; H16-K20 PolarHBondContact O-N 3.5Å; L17-K20 PolarHBondContact O-N 2.98Å; L18-K20 VanDerWaalsContact C-N 3.27Å; L18-K20 PolarHBondContact O-N 3.07Å; K20-Q24 WeakPolarHBondContact O-CB 3.42Å; K20-Q24 VanDerWaalsContact O-CG 3.28Å; K20-Q24 WeakPolarHBondContact O-CG 3.19Å; K20-Q24 PolarHBondContact O-N 3.02Å |
| 21 | R | 89.6 | Confident | 84.8 | Confident | 164 Ų | 164 | 115.4 Ų | 115.4 | 62% | 0.619 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.1 | -38 | 174.3 | -76.4 | 177.3 | -179.2 | 174.8 | 1.1 | 112.3 | L17 L18 Q24 R25 | L17-R21 WeakPolarHBondContact O-CG 3.48Å; L17-R21 PolarHBondContact O-N 3.28Å; L18-R21 WeakPolarHBondContact O-CB 3.4Å; L18-R21 PolarHBondContact O-N 3.38Å; L18-R21 VanDerWaalsContact O-N 3.11Å; R21-Q24 PolarHBondContact O-N 2.95Å; R21-R25 WeakPolarHBondContact O-CG 3.4Å; R21-R25 PolarHBondContact O-N 3.5Å |
| 22 | E | 87.6 | Confident | 86 | Confident | 119 Ų | 119 | 120.5 Ų | 120.5 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.6 | -49.8 | 177.4 | -168.9 | 170.9 | -148.6 | 0 | 0 | 111.2 | L18 Q24 R25 E26 | L18-E22 PolarHBondContact O-N 2.95Å; E22-Q24 VanDerWaalsContact C-N 3.28Å; E22-Q24 PolarHBondContact O-N 3.02Å; E22-R25 WeakPolarHBondContact O-CA 3.42Å; E22-R25 WeakPolarHBondContact O-CB 3.49Å; E22-R25 PolarHBondContact O-N 2.99Å; E22-E26 WeakPolarHBondContact O-CG 3.28Å; E22-E26 PolarHBondContact O-N 3.32Å |
| 23 | K | 89.4 | Confident | 86.8 | Confident | 122 Ų | 122 | 124 Ų | 124 | 53% | 0.53 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.3 | -39.3 | 172.6 | -77.4 | -174.4 | 173.6 | -168.6 | 0 | 113.3 | K19 R25 E26 Q27 | K19-K23 PolarHBondContact O-N 2.91Å; K19-K23 VanDerWaalsContact O-N 3.1Å; K23-R25 VanDerWaalsContact C-N 3.34Å; K23-E26 PolarHBondContact O-N 3.43Å; K23-Q27 WeakPolarHBondContact O-CB 3.5Å; K23-Q27 VanDerWaalsContact O-CG 3.27Å; K23-Q27 WeakPolarHBondContact O-CG 3.3Å; K23-Q27 PolarHBondContact O-N 3.1Å |
| 24 | Q | 87.1 | Confident | 87.4 | Confident | 104 Ų | 104 | 122 Ų | 122 | 49% | 0.486 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.6 | -36.3 | 176.2 | -76.9 | 177.5 | -29.7 | 0 | 0 | 112 | K20 R21 E22 M28 | K20-Q24 WeakPolarHBondContact O-CB 3.42Å; K20-Q24 VanDerWaalsContact O-CG 3.28Å; K20-Q24 WeakPolarHBondContact O-CG 3.19Å; K20-Q24 PolarHBondContact O-N 3.02Å; R21-Q24 PolarHBondContact O-N 2.95Å; E22-Q24 VanDerWaalsContact C-N 3.28Å; E22-Q24 PolarHBondContact O-N 3.02Å; Q24-M28 WeakPolarHBondContact O-CB 3.27Å; Q24-M28 WeakPolarHBondContact O-CG 3.47Å; Q24-M28 PolarHBondContact O-N 2.92Å |
| 25 | R | 89.4 | Confident | 87.8 | Confident | 187 Ų | 187 | 124.7 Ų | 124.7 | 71% | 0.706 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67 | -45.6 | 174.3 | -76.7 | 178.7 | 171.9 | -167.4 | -3.9 | 111.7 | R21 E22 K23 Q27 M28 E29 | R21-R25 WeakPolarHBondContact O-CG 3.4Å; R21-R25 PolarHBondContact O-N 3.5Å; E22-R25 WeakPolarHBondContact O-CA 3.42Å; E22-R25 WeakPolarHBondContact O-CB 3.49Å; E22-R25 PolarHBondContact O-N 2.99Å; K23-R25 VanDerWaalsContact C-N 3.34Å; R25-Q27 VanDerWaalsContact C-N 3.33Å; R25-Q27 PolarHBondContact O-N 2.92Å; R25-M28 WeakPolarHBondContact O-CB 3.45Å; R25-M28 PolarHBondContact O-N 3.36Å; R25-M28 VanDerWaalsContact O-N 3.16Å; R25-E29 WeakPolarHBondContact O-CG 3.5Å; R25-E29 PolarHBondContact O-N 2.91Å |
| 26 | E | 91.6 | Very high | 88.2 | Confident | 108 Ų | 108 | 120.5 Ų | 120.5 | 51% | 0.505 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.5 | -45.3 | 175.6 | -70.1 | 173.8 | 170.1 | 0 | 0 | 111.4 | E22 K23 M28 E29 V30 | E22-E26 WeakPolarHBondContact O-CG 3.28Å; E22-E26 PolarHBondContact O-N 3.32Å; K23-E26 PolarHBondContact O-N 3.43Å; E26-M28 VanDerWaalsContact C-N 3.34Å; E26-M28 PolarHBondContact O-N 3.26Å; E26-E29 PolarHBondContact O-N 3.47Å; E26-V30 WeakPolarHBondContact O-CG2 3.42Å; E26-V30 PolarHBondContact O-N 2.89Å |
| 27 | Q | 89.9 | Confident | 88.3 | Confident | 126 Ų | 126 | 120 Ų | 120 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.3 | -40.1 | 176.1 | -74 | 176.4 | -5.8 | 0 | 0 | 112.5 | K23 R25 L31 | K23-Q27 WeakPolarHBondContact O-CB 3.5Å; K23-Q27 VanDerWaalsContact O-CG 3.27Å; K23-Q27 WeakPolarHBondContact O-CG 3.3Å; K23-Q27 PolarHBondContact O-N 3.1Å; R25-Q27 VanDerWaalsContact C-N 3.33Å; R25-Q27 PolarHBondContact O-N 2.92Å; Q27-L31 WeakPolarHBondContact O-CB 3.27Å; Q27-L31 VanDerWaalsContact O-CG 3.3Å; Q27-L31 WeakPolarHBondContact O-CG 3.35Å; Q27-L31 PolarHBondContact O-N 3.27Å |
| 28 | M | 88.6 | Confident | 88 | Confident | 130 Ų | 130 | 119.4 Ų | 119.4 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | 176.4 | -75.7 | -70.9 | -65.6 | 0 | 0 | 112.3 | Q24 R25 E26 K32 | Q24-M28 WeakPolarHBondContact O-CB 3.27Å; Q24-M28 WeakPolarHBondContact O-CG 3.47Å; Q24-M28 PolarHBondContact O-N 2.92Å; R25-M28 WeakPolarHBondContact O-CB 3.45Å; R25-M28 PolarHBondContact O-N 3.36Å; R25-M28 VanDerWaalsContact O-N 3.16Å; E26-M28 VanDerWaalsContact C-N 3.34Å; E26-M28 PolarHBondContact O-N 3.26Å; M28-K32 VanDerWaalsContact O-CB 3.27Å; M28-K32 WeakPolarHBondContact O-CB 3.25Å; M28-K32 PolarHBondContact O-N 3.16Å |
| 29 | E | 90.9 | Very high | 87.7 | Confident | 124 Ų | 124 | 118.6 Ų | 118.6 | 58% | 0.579 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67 | -43.2 | 176.2 | -75.3 | 179.1 | 179.1 | 0 | 0 | 111.6 | R25 E26 K32 Q33 | R25-E29 WeakPolarHBondContact O-CG 3.5Å; R25-E29 PolarHBondContact O-N 2.91Å; E26-E29 PolarHBondContact O-N 3.47Å; E29-K32 PolarHBondContact O-N 3.43Å; E29-Q33 WeakPolarHBondContact O-CG 3.34Å; E29-Q33 PolarHBondContact O-N 3Å |
| 30 | V | 93.1 | Very high | 87 | Confident | 90 Ų | 90 | 117.1 Ų | 117.1 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.9 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | E26 K32 Q33 R34 | E26-V30 WeakPolarHBondContact O-CG2 3.42Å; E26-V30 PolarHBondContact O-N 2.89Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 3Å; V30-Q33 PolarHBondContact O-N 2.98Å; V30-R34 WeakPolarHBondContact O-CB 3.38Å; V30-R34 PolarHBondContact O-N 3.37Å |
| 31 | L | 86.8 | Confident | 86.2 | Confident | 90 Ų | 90 | 116.1 Ų | 116.1 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 176.1 | -73.5 | 170.8 | 0 | 0 | 0 | 111.9 | Q27 R34 I35 | Q27-L31 WeakPolarHBondContact O-CB 3.27Å; Q27-L31 VanDerWaalsContact O-CG 3.3Å; Q27-L31 WeakPolarHBondContact O-CG 3.35Å; Q27-L31 PolarHBondContact O-N 3.27Å; L31-R34 PolarHBondContact O-N 2.87Å; L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.46Å; L31-I35 PolarHBondContact O-N 3.43Å |
| 32 | K | 93.1 | Very high | 85.3 | Confident | 160 Ų | 160 | 115.5 Ų | 115.5 | 70% | 0.696 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.6 | -40.8 | 177 | -171.6 | -179.9 | 179.4 | -175.3 | 0 | 111.8 | M28 E29 V30 A36 | M28-K32 VanDerWaalsContact O-CB 3.27Å; M28-K32 WeakPolarHBondContact O-CB 3.25Å; M28-K32 PolarHBondContact O-N 3.16Å; E29-K32 PolarHBondContact O-N 3.43Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 3Å; K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 2.93Å |
| 33 | Q | 90 | Very high | 84.4 | Confident | 118 Ų | 118 | 112.6 Ų | 112.6 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 173.7 | -73.1 | 175 | 6.6 | 0 | 0 | 110.9 | E29 V30 I35 A36 E37 | E29-Q33 WeakPolarHBondContact O-CG 3.34Å; E29-Q33 PolarHBondContact O-N 3Å; V30-Q33 PolarHBondContact O-N 2.98Å; Q33-I35 PolarHBondContact O-N 2.98Å; Q33-A36 WeakPolarHBondContact O-CB 3.36Å; Q33-A36 PolarHBondContact O-N 2.92Å; Q33-A36 VanDerWaalsContact O-N 3.16Å; Q33-E37 WeakPolarHBondContact O-CG 3.41Å; Q33-E37 PolarHBondContact O-N 2.7Å |
| 34 | R | 88.6 | Confident | 83.2 | Confident | 155 Ų | 155 | 111 Ų | 111 | 59% | 0.585 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.9 | -43.5 | 177 | -166.6 | 178.8 | -169.5 | 164 | 7.9 | 113 | V30 L31 A36 E37 E38 | V30-R34 WeakPolarHBondContact O-CB 3.38Å; V30-R34 PolarHBondContact O-N 3.37Å; L31-R34 PolarHBondContact O-N 2.87Å; R34-A36 VanDerWaalsContact C-N 3.35Å; R34-E37 PolarHBondContact O-N 3.28Å; R34-E38 IonicContact NE-OE1 2.78Å; R34-E38 WeakPolarHBondContact O-CB 3.43Å; R34-E38 WeakPolarHBondContact O-CG 3.21Å; R34-E38 PolarHBondContact O-N 2.93Å |
| 35 | I | 84.9 | Confident | 82.3 | Confident | 104 Ų | 104 | 109.2 Ų | 109.2 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 176.6 | -68.5 | 164.7 | 0 | 0 | 0 | 111 | L31 Q33 E38 T39 | L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.46Å; L31-I35 PolarHBondContact O-N 3.43Å; Q33-I35 PolarHBondContact O-N 2.98Å; I35-E38 PolarHBondContact O-N 3.37Å; I35-T39 WeakPolarHBondContact O-CB 3.39Å; I35-T39 PolarHBondContact O-N 3.01Å; I35-T39 PolarHBondContact O-OG1 3.48Å |
| 36 | A | 85.6 | Confident | 81 | Confident | 47 Ų | 47 | 106.1 Ų | 106.1 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K32 Q33 R34 T39 I40 | K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 2.93Å; Q33-A36 WeakPolarHBondContact O-CB 3.36Å; Q33-A36 PolarHBondContact O-N 2.92Å; Q33-A36 VanDerWaalsContact O-N 3.16Å; R34-A36 VanDerWaalsContact C-N 3.35Å; A36-T39 PolarHBondContact O-N 2.9Å; A36-I40 WeakPolarHBondContact O-CB 3.44Å; A36-I40 WeakPolarHBondContact O-CD1 3.39Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 3.4Å |
| 37 | E | 82.1 | Confident | 79.7 | Confident | 120 Ų | 120 | 108.1 Ų | 108.1 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.4 | -47.5 | 174.8 | -72.2 | 174.1 | -178.9 | 0 | 0 | 111.6 | Q33 R34 T39 I40 L41 | Q33-E37 WeakPolarHBondContact O-CG 3.41Å; Q33-E37 PolarHBondContact O-N 2.7Å; R34-E37 PolarHBondContact O-N 3.28Å; E37-T39 VanDerWaalsContact C-N 3.3Å; E37-T39 PolarHBondContact O-N 2.89Å; E37-I40 PolarHBondContact O-N 3.42Å; E37-L41 WeakPolarHBondContact O-CB 3.49Å; E37-L41 VanDerWaalsContact O-CG 3.23Å; E37-L41 WeakPolarHBondContact O-CG 3.5Å; E37-L41 PolarHBondContact O-N 3.4Å |
| 38 | E | 79.1 | Confident | 78.4 | Confident | 91 Ų | 91 | 108.4 Ų | 108.4 | 43% | 0.425 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 176.4 | -75.6 | 179.9 | -171.7 | 0 | 0 | 112.6 | R34 I35 K42 | R34-E38 IonicContact NE-OE1 2.78Å; R34-E38 WeakPolarHBondContact O-CB 3.43Å; R34-E38 WeakPolarHBondContact O-CG 3.21Å; R34-E38 PolarHBondContact O-N 2.93Å; I35-E38 PolarHBondContact O-N 3.37Å; E38-K42 WeakPolarHBondContact O-CG 3.23Å; E38-K42 PolarHBondContact O-N 3.4Å |
| 39 | T | 77.8 | Confident | 76.9 | Confident | 83 Ų | 83 | 109.4 Ų | 109.4 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.8 | -40.4 | 177.6 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | I35 A36 E37 K42 S43 | I35-T39 WeakPolarHBondContact O-CB 3.39Å; I35-T39 PolarHBondContact O-N 3.01Å; I35-T39 PolarHBondContact O-OG1 3.48Å; A36-T39 PolarHBondContact O-N 2.9Å; E37-T39 VanDerWaalsContact C-N 3.3Å; E37-T39 PolarHBondContact O-N 2.89Å; T39-K42 PolarHBondContact O-N 2.89Å; T39-S43 PolarHBondContact O-N 3.16Å; T39-S43 PolarHBondContact O-OG 3.5Å |
| 40 | I | 75.3 | Confident | 75.4 | Confident | 96 Ų | 96 | 107.1 Ų | 107.1 | 49% | 0.492 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 174.3 | -68.2 | 162.8 | 0 | 0 | 0 | 109.8 | A36 E37 K42 S43 Q44 | A36-I40 WeakPolarHBondContact O-CB 3.44Å; A36-I40 WeakPolarHBondContact O-CD1 3.39Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 3.4Å; E37-I40 PolarHBondContact O-N 3.42Å; I40-K42 PolarHBondContact O-N 3.3Å; I40-S43 PolarHBondContact O-N 3.37Å; I40-S43 PolarHBondContact O-OG 3.45Å; I40-Q44 WeakPolarHBondContact O-CG 3.49Å; I40-Q44 PolarHBondContact O-N 3.48Å |
| 41 | L | 69.4 | Low | 73.9 | Confident | 101 Ų | 101 | 106 Ų | 106 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 176.5 | -71.8 | 168.8 | 0 | 0 | 0 | 111.9 | E37 S43 Q44 V45 | E37-L41 WeakPolarHBondContact O-CB 3.49Å; E37-L41 VanDerWaalsContact O-CG 3.23Å; E37-L41 WeakPolarHBondContact O-CG 3.5Å; E37-L41 PolarHBondContact O-N 3.4Å; L41-S43 PolarHBondContact O-N 3.22Å; L41-Q44 WeakPolarHBondContact O-CB 3.41Å; L41-Q44 PolarHBondContact O-N 3.22Å; L41-V45 WeakPolarHBondContact O-CG2 3.49Å; L41-V45 PolarHBondContact O-N 3.49Å |
| 42 | K | 70.5 | Confident | 72.6 | Confident | 150 Ų | 150 | 106 Ų | 106 | 65% | 0.652 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.1 | -45.5 | 175.4 | -76.5 | 177.2 | -177.7 | 177.8 | 0 | 112.2 | E38 T39 I40 Q44 V45 | E38-K42 WeakPolarHBondContact O-CG 3.23Å; E38-K42 PolarHBondContact O-N 3.4Å; T39-K42 PolarHBondContact O-N 2.89Å; I40-K42 PolarHBondContact O-N 3.3Å; K42-Q44 VanDerWaalsContact C-N 3.27Å; K42-Q44 PolarHBondContact O-N 3.33Å; K42-V45 WeakPolarHBondContact O-CB 3.43Å; K42-V45 PolarHBondContact O-N 3.11Å; K42-V45 VanDerWaalsContact O-N 3.11Å |
| 43 | S | 69.2 | Low | 71.1 | Confident | 58 Ų | 58 | 106.4 Ų | 106.4 | 41% | 0.406 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.6 | -22.4 | 177.9 | 71.1 | 0 | 0 | 0 | 0 | 114.2 | T39 I40 L41 | T39-S43 PolarHBondContact O-N 3.16Å; T39-S43 PolarHBondContact O-OG 3.5Å; I40-S43 PolarHBondContact O-N 3.37Å; I40-S43 PolarHBondContact O-OG 3.45Å; L41-S43 PolarHBondContact O-N 3.22Å |
| 44 | Q | 65.5 | Low | 70.1 | Confident | 90 Ų | 90 | 106 Ų | 106 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.6 | -27.5 | 171.4 | -81 | -171.4 | 0.2 | 0 | 0 | 113 | I40 L41 K42 K48 | I40-Q44 WeakPolarHBondContact O-CG 3.49Å; I40-Q44 PolarHBondContact O-N 3.48Å; L41-Q44 WeakPolarHBondContact O-CB 3.41Å; L41-Q44 PolarHBondContact O-N 3.22Å; K42-Q44 VanDerWaalsContact C-N 3.27Å; K42-Q44 PolarHBondContact O-N 3.33Å; Q44-K48 WeakPolarHBondContact O-CG 3.03Å; Q44-K48 PolarHBondContact O-N 3.4Å; Q44-K48 VanDerWaalsContact O-N 3.12Å |
| 45 | V | 66.3 | Low | 69.2 | Low | 66 Ų | 66 | 101.5 Ų | 101.5 | 40% | 0.4 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | -179.8 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | L41 K42 K47 K48 F49 | L41-V45 WeakPolarHBondContact O-CG2 3.49Å; L41-V45 PolarHBondContact O-N 3.49Å; K42-V45 WeakPolarHBondContact O-CB 3.43Å; K42-V45 PolarHBondContact O-N 3.11Å; K42-V45 VanDerWaalsContact O-N 3.11Å; V45-K47 VanDerWaalsContact C-N 3.31Å; V45-K47 PolarHBondContact O-N 3.32Å; V45-K48 PolarHBondContact O-N 2.87Å; V45-K48 VanDerWaalsContact O-N 3.11Å; V45-F49 HydrophobicContact CG1-CD2 4.08Å; V45-F49 HydrophobicContact CG1-CE2 3.51Å; V45-F49 WeakPolarHBondContact O-CD2 3.48Å; V45-F49 PolarHBondContact O-N 2.87Å |
| 46 | D | 62.5 | Low | 68.5 | Low | 121 Ų | 121 | 98.4 Ų | 98.4 | 65% | 0.647 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -38.1 | 178.3 | -66.3 | -37.7 | 0 | 0 | 0 | 112.7 | K48 F49 S50 | D46-K48 PolarHBondContact O-N 3.32Å; D46-F49 PolarHBondContact O-N 2.99Å; D46-S50 PolarHBondContact O-N 2.89Å |
| 47 | K | 65.5 | Low | 68 | Low | 151 Ų | 151 | 99.7 Ų | 99.7 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.7 | -25.4 | 177.1 | -69.6 | -179.6 | -179.7 | 178.8 | 0 | 113.8 | V45 F49 S50 A51 | V45-K47 VanDerWaalsContact C-N 3.31Å; V45-K47 PolarHBondContact O-N 3.32Å; K47-F49 VanDerWaalsContact C-N 3.35Å; K47-S50 PolarHBondContact O-OG 3.07Å; K47-A51 PolarHBondContact O-N 3.35Å |
| 48 | K | 62.4 | Low | 67.9 | Low | 132 Ų | 132 | 96.6 Ų | 96.6 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.6 | -29.7 | 177.2 | -76.8 | 168.4 | -173.6 | 178.6 | 0 | 112 | Q44 V45 D46 | Q44-K48 WeakPolarHBondContact O-CG 3.03Å; Q44-K48 PolarHBondContact O-N 3.4Å; Q44-K48 VanDerWaalsContact O-N 3.12Å; V45-K48 PolarHBondContact O-N 2.87Å; V45-K48 VanDerWaalsContact O-N 3.11Å; D46-K48 PolarHBondContact O-N 3.32Å |
| 49 | F | 56.3 | Low | 67.8 | Low | 150 Ų | 150 | 97.2 Ų | 97.2 | 66% | 0.658 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -81.2 | -37.8 | 177.6 | -68.4 | -68.9 | 0 | 0 | 0 | 112.8 | V45 D46 K47 | V45-F49 HydrophobicContact CG1-CD2 4.08Å; V45-F49 HydrophobicContact CG1-CE2 3.51Å; V45-F49 WeakPolarHBondContact O-CD2 3.48Å; V45-F49 PolarHBondContact O-N 2.87Å; D46-F49 PolarHBondContact O-N 2.99Å; K47-F49 VanDerWaalsContact C-N 3.35Å |
| 50 | S | 59.8 | Low | 67.8 | Low | 76 Ų | 76 | 94.5 Ų | 94.5 | 53% | 0.531 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.9 | -41 | 180 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | D46 K47 H52 Y53 D54 | D46-S50 PolarHBondContact O-N 2.89Å; K47-S50 PolarHBondContact O-OG 3.07Å; S50-H52 VanDerWaalsContact C-N 3.26Å; S50-H52 PolarHBondContact O-N 3.14Å; S50-Y53 PolarHBondContact O-N 3.44Å; S50-D54 PolarHBondContact O-N 2.85Å |
| 51 | A | 60.8 | Low | 68.1 | Low | 66 Ų | 66 | 95.6 Ų | 95.6 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.6 | -25.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K47 | K47-A51 PolarHBondContact O-N 3.35Å |
| 52 | H | 59.9 | Low | 68.6 | Low | 90 Ų | 90 | 94.9 Ų | 94.9 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -76 | -40.4 | 179.3 | -176.4 | -84.4 | 0 | 0 | 0 | 112.2 | S50 | S50-H52 VanDerWaalsContact C-N 3.26Å; S50-H52 PolarHBondContact O-N 3.14Å |
| 53 | Y | 60.8 | Low | 68.8 | Low | 169 Ų | 169 | 90.5 Ų | 90.5 | 66% | 0.663 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69 | -40.7 | -179.2 | -151.7 | -92.6 | 0 | 0 | 0 | 111.2 | S50 A55 V56 E57 | S50-Y53 PolarHBondContact O-N 3.44Å; Y53-A55 PolarHBondContact O-N 3.12Å; Y53-V56 PolarHBondContact O-N 3.11Å; Y53-E57 VanDerWaalsContact O-CB 3.28Å; Y53-E57 WeakPolarHBondContact O-CB 3.21Å; Y53-E57 PolarHBondContact O-N 3.33Å |
| 54 | D | 69.6 | Low | 68.8 | Low | 109 Ų | 109 | 89.2 Ų | 89.2 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.1 | -36.1 | -176.6 | -150.6 | 16.9 | 0 | 0 | 0 | 112.8 | S50 A58 | S50-D54 PolarHBondContact O-N 2.85Å; D54-A58 VanDerWaalsContact O-CB 3.28Å; D54-A58 WeakPolarHBondContact O-CB 3.12Å; D54-A58 PolarHBondContact O-N 3.09Å |
| 55 | A | 70.4 | Confident | 69.4 | Low | 61 Ų | 61 | 91.2 Ų | 91.2 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.1 | -44.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y53 E57 A58 E59 | Y53-A55 PolarHBondContact O-N 3.12Å; A55-E57 VanDerWaalsContact C-N 3.34Å; A55-A58 PolarHBondContact O-N 2.7Å; A55-E59 PolarHBondContact O-N 2.65Å; A55-E59 VanDerWaalsContact O-N 3.16Å |
| 56 | V | 70.9 | Confident | 69.9 | Low | 39 Ų | 39 | 90.9 Ų | 90.9 | 24% | 0.236 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | Y53 E59 L60 | Y53-V56 PolarHBondContact O-N 3.11Å; V56-E59 PolarHBondContact O-N 3.36Å; V56-L60 HydrophobicContact CG1-CD1 3.67Å; V56-L60 VanDerWaalsContact O-CD1 3.31Å; V56-L60 WeakPolarHBondContact O-CD1 3.28Å; V56-L60 PolarHBondContact O-N 2.96Å |
| 57 | E | 73.9 | Confident | 70.7 | Confident | 74 Ų | 74 | 94.1 Ų | 94.1 | 35% | 0.346 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 178.9 | -167.5 | 178.6 | 166.5 | 0 | 0 | 112.4 | Y53 A55 K61 | Y53-E57 VanDerWaalsContact O-CB 3.28Å; Y53-E57 WeakPolarHBondContact O-CB 3.21Å; Y53-E57 PolarHBondContact O-N 3.33Å; A55-E57 VanDerWaalsContact C-N 3.34Å; E57-K61 VanDerWaalsContact CD-NZ 3.3Å; E57-K61 HydrophobicContact CG-CD 4.15Å; E57-K61 VanDerWaalsContact O-CB 3.29Å; E57-K61 WeakPolarHBondContact O-CB 3.1Å; E57-K61 WeakPolarHBondContact O-CG 3.29Å; E57-K61 PolarHBondContact O-N 3.34Å; E57-K61 WeakPolarHBondContact OE1-CE 3.19Å; E57-K61 IonicContact OE1-NZ 3.41Å; E57-K61 PolarHBondContact OE1-NZ 3.28Å |
| 58 | A | 79.3 | Confident | 71.5 | Confident | 55 Ų | 55 | 88.9 Ų | 88.9 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D54 A55 S62 | D54-A58 VanDerWaalsContact O-CB 3.28Å; D54-A58 WeakPolarHBondContact O-CB 3.12Å; D54-A58 PolarHBondContact O-N 3.09Å; A55-A58 PolarHBondContact O-N 2.7Å; A58-S62 WeakPolarHBondContact O-CB 3.28Å; A58-S62 PolarHBondContact O-N 3.32Å; A58-S62 PolarHBondContact O-OG 2.84Å |
| 59 | E | 77.1 | Confident | 72.7 | Confident | 105 Ų | 105 | 86.2 Ų | 86.2 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.8 | -40 | 177.7 | -165.5 | 170.5 | -168.8 | 0 | 0 | 111.7 | A55 V56 S62 S63 L80 | A55-E59 PolarHBondContact O-N 2.65Å; A55-E59 VanDerWaalsContact O-N 3.16Å; V56-E59 PolarHBondContact O-N 3.36Å; E59-S62 PolarHBondContact O-OG 3.47Å; E59-S62 VanDerWaalsContact O-OG 3.09Å; E59-S63 VanDerWaalsContact O-CB 3.25Å; E59-S63 WeakPolarHBondContact O-CB 3.48Å; E59-S63 PolarHBondContact O-N 2.95Å; E59-L80 HydrophobicContact CG-CD1 4.34Å; E59-L80 HydrophobicContact CG-CD2 3.89Å; E59-L80 WeakPolarHBondContact OE2-CD2 3.5Å |
| 60 | L | 78.9 | Confident | 73.9 | Confident | 25 Ų | 25 | 86 Ų | 86 | 13% | 0.131 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -59.9 | -52.2 | 169.8 | -98.2 | 109 | 0 | 0 | 0 | 111 | V56 S62 S63 T64 Q77 L80 | V56-L60 HydrophobicContact CG1-CD1 3.67Å; V56-L60 VanDerWaalsContact O-CD1 3.31Å; V56-L60 WeakPolarHBondContact O-CD1 3.28Å; V56-L60 PolarHBondContact O-N 2.96Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.12Å; L60-S63 PolarHBondContact O-N 2.96Å; L60-S63 VanDerWaalsContact O-N 3.13Å; L60-T64 WeakPolarHBondContact O-CB 3.48Å; L60-T64 VanDerWaalsContact O-CG2 3.23Å; L60-T64 WeakPolarHBondContact O-CG2 3.3Å; L60-T64 PolarHBondContact O-N 3Å; L60-T64 PolarHBondContact O-OG1 3.44Å; L60-Q77 HydrophobicContact CD2-CB 4.14Å; L60-Q77 HydrophobicContact CD2-CG 4.42Å; L60-L80 HydrophobicContact CD1-CD1 3.47Å; L60-L80 VanDerWaalsContact CD1-CD1 3.47Å; L60-L80 HydrophobicContact CG-CD1 3.77Å |
| 61 | K | 80.6 | Confident | 75.1 | Confident | 120 Ų | 120 | 88.2 Ų | 88.2 | 52% | 0.522 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58 | -40.6 | -178.4 | -78.2 | 170.6 | -179.2 | 165.3 | 0 | 113.1 | E57 | E57-K61 VanDerWaalsContact CD-NZ 3.3Å; E57-K61 HydrophobicContact CG-CD 4.15Å; E57-K61 VanDerWaalsContact O-CB 3.29Å; E57-K61 WeakPolarHBondContact O-CB 3.1Å; E57-K61 WeakPolarHBondContact O-CG 3.29Å; E57-K61 PolarHBondContact O-N 3.34Å; E57-K61 WeakPolarHBondContact OE1-CE 3.19Å; E57-K61 IonicContact OE1-NZ 3.41Å; E57-K61 PolarHBondContact OE1-NZ 3.28Å |
| 62 | S | 80.8 | Confident | 76.2 | Confident | 85 Ų | 85 | 88.8 Ų | 88.8 | 59% | 0.594 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73.3 | -33.7 | 178 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | A58 E59 L60 | A58-S62 WeakPolarHBondContact O-CB 3.28Å; A58-S62 PolarHBondContact O-N 3.32Å; A58-S62 PolarHBondContact O-OG 2.84Å; E59-S62 PolarHBondContact O-OG 3.47Å; E59-S62 VanDerWaalsContact O-OG 3.09Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.12Å |
| 63 | S | 73.3 | Confident | 77.3 | Confident | 58 Ų | 58 | 87.7 Ų | 87.7 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72 | -31.7 | 175.4 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | E59 L60 V65 R76 | E59-S63 VanDerWaalsContact O-CB 3.25Å; E59-S63 WeakPolarHBondContact O-CB 3.48Å; E59-S63 PolarHBondContact O-N 2.95Å; L60-S63 PolarHBondContact O-N 2.96Å; L60-S63 VanDerWaalsContact O-N 3.13Å; S63-V65 PolarHBondContact O-N 2.98Å; S63-R76 PolarHBondContact O-NH1 3.39Å; S63-R76 PolarHBondContact OG-NH1 3.16Å; S63-R76 VanDerWaalsContact OG-NH1 3.16Å |
| 64 | T | 70.8 | Confident | 78.4 | Confident | 32 Ų | 32 | 85.7 Ų | 85.7 | 20% | 0.196 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 22.6 | -168.3 | 58.4 | 0 | 0 | 0 | 0 | 114.9 | L60 G66 M73 | L60-T64 WeakPolarHBondContact O-CB 3.48Å; L60-T64 VanDerWaalsContact O-CG2 3.23Å; L60-T64 WeakPolarHBondContact O-CG2 3.3Å; L60-T64 PolarHBondContact O-N 3Å; L60-T64 PolarHBondContact O-OG1 3.44Å; T64-G66 PolarHBondContact O-N 2.88Å; T64-G66 VanDerWaalsContact O-N 3.16Å; T64-M73 HydrophobicContact CG2-CE 3.73Å; T64-M73 HydrophobicContact CG2-SD 3.26Å; T64-M73 WeakPolarHBondContact CG2-SD 3.31Å |
| 65 | V | 76.9 | Confident | 79.2 | Confident | 131 Ų | 131 | 83.2 Ų | 83.2 | 79% | 0.794 | 49% | 0.485 | S | S | * | . | trans | -76.7 | 102.5 | 175.2 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | S63 | S63-V65 PolarHBondContact O-N 2.98Š| ||
| 66 | G | 77.9 | Confident | 79.8 | Confident | 60 Ų | 60 | 84.8 Ų | 84.8 | 62% | 0.619 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 147.4 | -176.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | T64 V68 | T64-G66 PolarHBondContact O-N 2.88Å; T64-G66 VanDerWaalsContact O-N 3.16Å; G66-V68 PolarHBondContact O-N 3.42Å |
| 67 | L | 79.3 | Confident | 80.3 | Confident | 188 Ų | 188 | 87.6 Ų | 87.6 | 98% | 0.984 | 49% | 0.488 | S | S | * | . | trans | -77.1 | 103.3 | 172.9 | -169.9 | 70.3 | 0 | 0 | 0 | 109.1 | ||||
| 68 | V | 82.8 | Confident | 80.8 | Confident | 42 Ų | 42 | 89.5 Ų | 89.5 | 26% | 0.255 | 50% | 0.497 | S | S | . | . | trans | -121.2 | 137.5 | -176 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | G66 D72 M73 | G66-V68 PolarHBondContact O-N 3.42Å; V68-D72 HydrophobicContact CG1-CB 3.46Å; V68-D72 VanDerWaalsContact CG1-CB 3.46Å; V68-M73 HydrophobicContact CB-CG 4.46Å; V68-M73 HydrophobicContact CB-SD 4.33Å; V68-M73 HydrophobicContact CG1-CG 3.86Å; V68-M73 HydrophobicContact CG1-SD 3.93Å | ||
| 69 | T | 86 | Confident | 81.2 | Confident | 76 Ų | 76 | 89.3 Ų | 89.3 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | trans | -77.1 | 157.1 | 178 | 73.6 | 0 | 0 | 0 | 0 | 111.3 | N71 D72 M73 | T69-N71 PolarHBondContact O-N 3.11Å; T69-D72 PolarHBondContact N-OD2 3.41Å; T69-D72 PolarHBondContact O-N 3.18Å; T69-D72 VanDerWaalsContact O-N 3.1Å; T69-D72 PolarHBondContact OG1-N 2.59Å; T69-D72 PolarHBondContact OG1-OD2 3.01Å; T69-M73 PolarHBondContact O-N 3.12Å; T69-M73 VanDerWaalsContact O-N 3.07Å | ||
| 70 | L | 81.1 | Confident | 81.4 | Confident | 144 Ų | 144 | 85.7 Ų | 85.7 | 75% | 0.754 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57.9 | -31.1 | 177.7 | -72.3 | 173 | 0 | 0 | 0 | 112.9 | K74 | L70-K74 WeakPolarHBondContact O-CG 3.26Å; L70-K74 PolarHBondContact O-N 2.63Å |
| 71 | N | 85.9 | Confident | 81.6 | Confident | 124 Ų | 124 | 88 Ų | 88 | 66% | 0.663 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.8 | -40.7 | 177.7 | -68 | -18.5 | 0 | 0 | 0 | 111.4 | T69 M73 K74 A75 | T69-N71 PolarHBondContact O-N 3.11Å; N71-M73 VanDerWaalsContact C-N 3.33Å; N71-M73 PolarHBondContact O-N 3.31Å; N71-K74 PolarHBondContact O-N 3.22Å; N71-A75 WeakPolarHBondContact O-CB 3.48Å; N71-A75 PolarHBondContact O-N 2.91Å |
| 72 | D | 84.4 | Confident | 81.9 | Confident | 78 Ų | 78 | 88.6 Ų | 88.6 | 42% | 0.417 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.9 | -36.4 | 176.9 | -61.6 | -37.7 | 0 | 0 | 0 | 111.7 | V68 T69 R76 | V68-D72 HydrophobicContact CG1-CB 3.46Å; V68-D72 VanDerWaalsContact CG1-CB 3.46Å; T69-D72 PolarHBondContact N-OD2 3.41Å; T69-D72 PolarHBondContact O-N 3.18Å; T69-D72 VanDerWaalsContact O-N 3.1Å; T69-D72 PolarHBondContact OG1-N 2.59Å; T69-D72 PolarHBondContact OG1-OD2 3.01Å; D72-R76 WeakPolarHBondContact O-CB 3.39Å; D72-R76 VanDerWaalsContact O-CG 3.24Å; D72-R76 WeakPolarHBondContact O-CG 3.5Å; D72-R76 PolarHBondContact O-N 3.32Å |
| 73 | M | 81.9 | Confident | 82.1 | Confident | 66 Ų | 66 | 89.6 Ų | 89.6 | 33% | 0.325 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 174.4 | -71.8 | -66.6 | -66.4 | 0 | 0 | 112 | T64 V68 T69 N71 R76 Q77 | T64-M73 HydrophobicContact CG2-CE 3.73Å; T64-M73 HydrophobicContact CG2-SD 3.26Å; T64-M73 WeakPolarHBondContact CG2-SD 3.31Å; V68-M73 HydrophobicContact CB-CG 4.46Å; V68-M73 HydrophobicContact CB-SD 4.33Å; V68-M73 HydrophobicContact CG1-CG 3.86Å; V68-M73 HydrophobicContact CG1-SD 3.93Å; T69-M73 PolarHBondContact O-N 3.12Å; T69-M73 VanDerWaalsContact O-N 3.07Å; N71-M73 VanDerWaalsContact C-N 3.33Å; N71-M73 PolarHBondContact O-N 3.31Å; M73-R76 PolarHBondContact O-N 2.95Å; M73-Q77 WeakPolarHBondContact O-CB 3.45Å; M73-Q77 PolarHBondContact O-N 3.16Å |
| 74 | K | 85.1 | Confident | 82.3 | Confident | 128 Ų | 128 | 91.9 Ų | 91.9 | 56% | 0.557 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.5 | -44.4 | 178 | -73.7 | -179.2 | 178.5 | -177.9 | 0 | 111.8 | L70 N71 R76 Q77 E78 | L70-K74 WeakPolarHBondContact O-CG 3.26Å; L70-K74 PolarHBondContact O-N 2.63Å; N71-K74 PolarHBondContact O-N 3.22Å; K74-R76 VanDerWaalsContact C-N 3.3Å; K74-R76 PolarHBondContact O-N 2.91Å; K74-Q77 PolarHBondContact O-N 2.83Å; K74-E78 WeakPolarHBondContact O-CG 3.47Å; K74-E78 PolarHBondContact O-N 3.13Å |
| 75 | A | 86.9 | Confident | 82.8 | Confident | 56 Ų | 56 | 96.2 Ų | 96.2 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N71 A79 | N71-A75 WeakPolarHBondContact O-CB 3.48Å; N71-A75 PolarHBondContact O-N 2.91Å; A75-A79 WeakPolarHBondContact O-CB 3.23Å; A75-A79 PolarHBondContact O-N 3.39Å |
| 76 | R | 82 | Confident | 83.4 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.8 | -40.6 | 176.2 | -72.3 | 176.2 | -173.3 | -158.7 | 8.4 | 112.5 | S63 D72 M73 K74 A79 L80 | S63-R76 PolarHBondContact O-NH1 3.39Å; S63-R76 PolarHBondContact OG-NH1 3.16Å; S63-R76 VanDerWaalsContact OG-NH1 3.16Å; D72-R76 WeakPolarHBondContact O-CB 3.39Å; D72-R76 VanDerWaalsContact O-CG 3.24Å; D72-R76 WeakPolarHBondContact O-CG 3.5Å; D72-R76 PolarHBondContact O-N 3.32Å; M73-R76 PolarHBondContact O-N 2.95Å; K74-R76 VanDerWaalsContact C-N 3.3Å; K74-R76 PolarHBondContact O-N 2.91Å; R76-A79 PolarHBondContact O-N 3.31Å; R76-L80 WeakPolarHBondContact O-CG 3.33Å; R76-L80 PolarHBondContact O-N 2.9Å; R76-L80 VanDerWaalsContact O-N 3.09Å |
| 77 | Q | 81.3 | Confident | 83.7 | Confident | 99 Ų | 99 | 99 Ų | 99 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 175.3 | -171.9 | 178.9 | -0.9 | 0 | 0 | 111.4 | L60 M73 K74 A79 L80 I81 | L60-Q77 HydrophobicContact CD2-CB 4.14Å; L60-Q77 HydrophobicContact CD2-CG 4.42Å; M73-Q77 WeakPolarHBondContact O-CB 3.45Å; M73-Q77 PolarHBondContact O-N 3.16Å; K74-Q77 PolarHBondContact O-N 2.83Å; Q77-A79 VanDerWaalsContact C-N 3.34Å; Q77-A79 PolarHBondContact O-N 3.47Å; Q77-L80 PolarHBondContact O-N 2.92Å; Q77-I81 HydrophobicContact CG-CD1 4.09Å; Q77-I81 VanDerWaalsContact O-CG1 3.3Å; Q77-I81 WeakPolarHBondContact O-CG1 3.2Å; Q77-I81 PolarHBondContact O-N 3.01Å; Q77-I81 VanDerWaalsContact O-N 3.11Å |
| 78 | E | 85.4 | Confident | 84 | Confident | 113 Ų | 113 | 93 Ų | 93 | 53% | 0.528 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64 | -38.2 | 177.9 | -72.7 | 177.7 | -167.5 | 0 | 0 | 112.5 | K74 I81 R82 | K74-E78 WeakPolarHBondContact O-CG 3.47Å; K74-E78 PolarHBondContact O-N 3.13Å; E78-I81 PolarHBondContact O-N 3.03Å; E78-R82 VanDerWaalsContact O-CB 3.28Å; E78-R82 WeakPolarHBondContact O-CB 3.38Å; E78-R82 PolarHBondContact O-N 2.91Å |
| 79 | A | 86.8 | Confident | 84.3 | Confident | 52 Ų | 52 | 93 Ų | 93 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A75 R76 Q77 R82 E83 | A75-A79 WeakPolarHBondContact O-CB 3.23Å; A75-A79 PolarHBondContact O-N 3.39Å; R76-A79 PolarHBondContact O-N 3.31Å; Q77-A79 VanDerWaalsContact C-N 3.34Å; Q77-A79 PolarHBondContact O-N 3.47Å; A79-R82 PolarHBondContact O-N 2.87Å; A79-E83 WeakPolarHBondContact O-CB 3.5Å; A79-E83 PolarHBondContact O-N 3.45Å |
| 80 | L | 82.5 | Confident | 84.5 | Confident | 29 Ų | 29 | 96.5 Ų | 96.5 | 15% | 0.152 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 178 | -76.7 | 169.7 | 0 | 0 | 0 | 112.1 | E59 L60 R76 Q77 R84 | E59-L80 HydrophobicContact CG-CD1 4.34Å; E59-L80 HydrophobicContact CG-CD2 3.89Å; E59-L80 WeakPolarHBondContact OE2-CD2 3.5Å; L60-L80 HydrophobicContact CD1-CD1 3.47Å; L60-L80 VanDerWaalsContact CD1-CD1 3.47Å; L60-L80 HydrophobicContact CG-CD1 3.77Å; R76-L80 WeakPolarHBondContact O-CG 3.33Å; R76-L80 PolarHBondContact O-N 2.9Å; R76-L80 VanDerWaalsContact O-N 3.09Å; Q77-L80 PolarHBondContact O-N 2.92Å; L80-R84 WeakPolarHBondContact O-CB 3.16Å; L80-R84 PolarHBondContact O-N 2.86Å |
| 81 | I | 81.8 | Confident | 84.9 | Confident | 74 Ų | 74 | 97.4 Ų | 97.4 | 38% | 0.379 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 175.7 | -67.4 | 167.6 | 0 | 0 | 0 | 110.2 | Q77 E78 E83 R84 E85 | Q77-I81 HydrophobicContact CG-CD1 4.09Å; Q77-I81 VanDerWaalsContact O-CG1 3.3Å; Q77-I81 WeakPolarHBondContact O-CG1 3.2Å; Q77-I81 PolarHBondContact O-N 3.01Å; Q77-I81 VanDerWaalsContact O-N 3.11Å; E78-I81 PolarHBondContact O-N 3.03Å; I81-E83 PolarHBondContact O-N 3.45Å; I81-R84 WeakPolarHBondContact O-CB 3.28Å; I81-R84 PolarHBondContact O-N 2.64Å; I81-E85 WeakPolarHBondContact O-CG 3.39Å; I81-E85 PolarHBondContact O-N 2.86Å |
| 82 | R | 87.3 | Confident | 84.9 | Confident | 131 Ų | 131 | 97.1 Ų | 97.1 | 49% | 0.494 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | -178.5 | -171.5 | -178.7 | -65.6 | 153.6 | 2.9 | 112.8 | E78 A79 R84 R86 | E78-R82 VanDerWaalsContact O-CB 3.28Å; E78-R82 WeakPolarHBondContact O-CB 3.38Å; E78-R82 PolarHBondContact O-N 2.91Å; A79-R82 PolarHBondContact O-N 2.87Å; R82-R84 VanDerWaalsContact C-N 3.31Å; R82-R86 VanDerWaalsContact O-CG 3.32Å; R82-R86 WeakPolarHBondContact O-CG 3.33Å; R82-R86 PolarHBondContact O-N 2.81Å; R82-R86 VanDerWaalsContact O-N 3.14Å |
| 83 | E | 84.4 | Confident | 85.2 | Confident | 107 Ų | 107 | 98.9 Ų | 98.9 | 50% | 0.5 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 175.6 | -176.1 | 166.5 | -170.3 | 0 | 0 | 111.2 | A79 I81 R86 Q87 | A79-E83 WeakPolarHBondContact O-CB 3.5Å; A79-E83 PolarHBondContact O-N 3.45Å; I81-E83 PolarHBondContact O-N 3.45Å; E83-R86 WeakPolarHBondContact O-CB 3.42Å; E83-R86 PolarHBondContact O-N 2.73Å; E83-Q87 WeakPolarHBondContact O-CG 3.4Å; E83-Q87 PolarHBondContact O-N 3.35Å |
| 84 | R | 78 | Confident | 85.6 | Confident | 105 Ų | 105 | 101.4 Ų | 101.4 | 40% | 0.396 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 177.7 | -172.6 | 57.1 | 171.4 | -172.6 | -5.4 | 112.8 | L80 I81 R82 R86 Q87 L88 | L80-R84 WeakPolarHBondContact O-CB 3.16Å; L80-R84 PolarHBondContact O-N 2.86Å; I81-R84 WeakPolarHBondContact O-CB 3.28Å; I81-R84 PolarHBondContact O-N 2.64Å; R82-R84 VanDerWaalsContact C-N 3.31Å; R84-R86 VanDerWaalsContact C-N 3.28Å; R84-R86 PolarHBondContact O-N 2.81Å; R84-Q87 VanDerWaalsContact NH1-OE1 3.08Å; R84-Q87 WeakPolarHBondContact O-CB 3.49Å; R84-Q87 PolarHBondContact O-N 3.27Å; R84-Q87 VanDerWaalsContact O-N 3.1Å; R84-L88 HydrophobicContact CG-CD1 4.46Å; R84-L88 WeakPolarHBondContact O-CG 3.47Å; R84-L88 PolarHBondContact O-N 2.96Å |
| 85 | E | 81.6 | Confident | 85.8 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57.2 | -42.8 | 174 | -75 | 176 | 169.2 | 0 | 0 | 111.4 | I81 Q87 L88 A89 | I81-E85 WeakPolarHBondContact O-CG 3.39Å; I81-E85 PolarHBondContact O-N 2.86Å; E85-Q87 VanDerWaalsContact C-N 3.35Å; E85-Q87 PolarHBondContact O-N 3.47Å; E85-L88 PolarHBondContact O-N 2.94Å; E85-A89 WeakPolarHBondContact O-CB 3.39Å; E85-A89 PolarHBondContact O-N 3.08Å |
| 86 | R | 89.1 | Confident | 85.8 | Confident | 159 Ų | 159 | 103.9 Ų | 103.9 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | 174.3 | -71.3 | 171.9 | -176.6 | 167.8 | -0.5 | 112.5 | R82 E83 R84 K90 | R82-R86 VanDerWaalsContact O-CG 3.32Å; R82-R86 WeakPolarHBondContact O-CG 3.33Å; R82-R86 PolarHBondContact O-N 2.81Å; R82-R86 VanDerWaalsContact O-N 3.14Å; E83-R86 WeakPolarHBondContact O-CB 3.42Å; E83-R86 PolarHBondContact O-N 2.73Å; R84-R86 VanDerWaalsContact C-N 3.28Å; R84-R86 PolarHBondContact O-N 2.81Å; R86-K90 WeakPolarHBondContact O-CG 3.46Å; R86-K90 PolarHBondContact O-N 3.44Å |
| 87 | Q | 84.7 | Confident | 86.2 | Confident | 91 Ų | 91 | 104.5 Ų | 104.5 | 43% | 0.425 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 176.3 | -71.9 | 178.8 | 3.6 | 0 | 0 | 111.9 | E83 R84 E85 K90 R91 | E83-Q87 WeakPolarHBondContact O-CG 3.4Å; E83-Q87 PolarHBondContact O-N 3.35Å; R84-Q87 VanDerWaalsContact NH1-OE1 3.08Å; R84-Q87 WeakPolarHBondContact O-CB 3.49Å; R84-Q87 PolarHBondContact O-N 3.27Å; R84-Q87 VanDerWaalsContact O-N 3.1Å; E85-Q87 VanDerWaalsContact C-N 3.35Å; E85-Q87 PolarHBondContact O-N 3.47Å; Q87-K90 PolarHBondContact O-N 3.16Å; Q87-R91 PolarHBondContact O-N 2.85Å |
| 88 | L | 85.5 | Confident | 86.6 | Confident | 62 Ų | 62 | 107.3 Ų | 107.3 | 33% | 0.325 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 176.7 | -71.2 | 172.9 | 0 | 0 | 0 | 111.4 | R84 E85 K90 R91 Q92 | R84-L88 HydrophobicContact CG-CD1 4.46Å; R84-L88 WeakPolarHBondContact O-CG 3.47Å; R84-L88 PolarHBondContact O-N 2.96Å; E85-L88 PolarHBondContact O-N 2.94Å; L88-K90 PolarHBondContact O-N 3.24Å; L88-R91 PolarHBondContact O-N 2.91Å; L88-R91 VanDerWaalsContact O-N 3.14Å; L88-Q92 WeakPolarHBondContact O-CG 3.49Å; L88-Q92 PolarHBondContact O-N 3.5Å |
| 89 | A | 88.4 | Confident | 86.9 | Confident | 40 Ų | 40 | 106 Ų | 106 | 33% | 0.331 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E85 R91 Q92 Q93 | E85-A89 WeakPolarHBondContact O-CB 3.39Å; E85-A89 PolarHBondContact O-N 3.08Å; A89-R91 VanDerWaalsContact C-N 3.32Å; A89-R91 PolarHBondContact O-N 3.02Å; A89-Q92 PolarHBondContact O-N 3.32Å; A89-Q93 WeakPolarHBondContact O-CG 3.18Å; A89-Q93 PolarHBondContact O-N 3.34Å |
| 90 | K | 91.4 | Very high | 87 | Confident | 151 Ų | 151 | 108.5 Ų | 108.5 | 66% | 0.657 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.3 | -40.6 | 174.5 | -76.6 | 179.3 | -179.4 | -176.9 | 0 | 112.3 | R86 Q87 L88 L94 | R86-K90 WeakPolarHBondContact O-CG 3.46Å; R86-K90 PolarHBondContact O-N 3.44Å; Q87-K90 PolarHBondContact O-N 3.16Å; L88-K90 PolarHBondContact O-N 3.24Å; K90-L94 WeakPolarHBondContact O-CB 3.47Å; K90-L94 PolarHBondContact O-N 2.92Å |
| 91 | R | 88.3 | Confident | 87.4 | Confident | 162 Ų | 162 | 112.3 Ų | 112.3 | 61% | 0.611 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.7 | -41.6 | 179.2 | -162.2 | 174.3 | 81.9 | 178.7 | 4.8 | 111.7 | Q87 L88 A89 L94 E95 | Q87-R91 PolarHBondContact O-N 2.85Å; L88-R91 PolarHBondContact O-N 2.91Å; L88-R91 VanDerWaalsContact O-N 3.14Å; A89-R91 VanDerWaalsContact C-N 3.32Å; A89-R91 PolarHBondContact O-N 3.02Å; R91-L94 PolarHBondContact O-N 2.96Å; R91-E95 WeakPolarHBondContact O-CB 3.42Å; R91-E95 PolarHBondContact O-N 3.29Å |
| 92 | Q | 86.8 | Confident | 87.8 | Confident | 118 Ų | 118 | 113.1 Ų | 113.1 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62 | -46.9 | 174.7 | -74 | 174.4 | -17.1 | 0 | 0 | 111.3 | L88 A89 L94 E95 E96 | L88-Q92 WeakPolarHBondContact O-CG 3.49Å; L88-Q92 PolarHBondContact O-N 3.5Å; A89-Q92 PolarHBondContact O-N 3.32Å; Q92-L94 VanDerWaalsContact C-N 3.31Å; Q92-L94 PolarHBondContact O-N 3.44Å; Q92-E95 PolarHBondContact O-N 3.23Å; Q92-E95 VanDerWaalsContact O-N 3.16Å; Q92-E96 WeakPolarHBondContact O-CB 3.37Å; Q92-E96 WeakPolarHBondContact O-CG 3.48Å; Q92-E96 PolarHBondContact O-N 3.37Å |
| 93 | Q | 89.1 | Confident | 87.9 | Confident | 115 Ų | 115 | 113 Ų | 113 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 176.1 | -74.6 | -179.7 | -10.5 | 0 | 0 | 112.4 | A89 Q97 | A89-Q93 WeakPolarHBondContact O-CG 3.18Å; A89-Q93 PolarHBondContact O-N 3.34Å; Q93-Q97 WeakPolarHBondContact O-CB 3.49Å; Q93-Q97 VanDerWaalsContact O-CG 3.26Å; Q93-Q97 WeakPolarHBondContact O-CG 3.42Å; Q93-Q97 PolarHBondContact O-N 2.96Å |
| 94 | L | 90.9 | Very high | 88.2 | Confident | 119 Ų | 119 | 113 Ų | 113 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.9 | -41.7 | 176.9 | -166.5 | 88.2 | 0 | 0 | 0 | 111.8 | K90 R91 Q92 Q97 R98 | K90-L94 WeakPolarHBondContact O-CB 3.47Å; K90-L94 PolarHBondContact O-N 2.92Å; R91-L94 PolarHBondContact O-N 2.96Å; Q92-L94 VanDerWaalsContact C-N 3.31Å; Q92-L94 PolarHBondContact O-N 3.44Å; L94-Q97 PolarHBondContact O-N 3.46Å; L94-R98 WeakPolarHBondContact O-CB 3.28Å; L94-R98 PolarHBondContact O-N 2.9Å |
| 95 | E | 89.2 | Confident | 88.8 | Confident | 117 Ų | 117 | 115.5 Ų | 115.5 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 178.8 | -170.4 | 168 | -166.7 | 0 | 0 | 111.5 | R91 Q92 R98 L99 | R91-E95 WeakPolarHBondContact O-CB 3.42Å; R91-E95 PolarHBondContact O-N 3.29Å; Q92-E95 PolarHBondContact O-N 3.23Å; Q92-E95 VanDerWaalsContact O-N 3.16Å; E95-R98 WeakPolarHBondContact O-CB 3.41Å; E95-R98 PolarHBondContact O-N 3.47Å; E95-L99 WeakPolarHBondContact O-CB 3.28Å; E95-L99 PolarHBondContact O-N 3.38Å |
| 96 | E | 87.7 | Confident | 89.2 | Confident | 119 Ų | 119 | 116.2 Ų | 116.2 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.2 | -44.9 | 172.9 | -74.8 | 178.1 | 174.3 | 0 | 0 | 112.1 | Q92 R98 L99 Q100 | Q92-E96 WeakPolarHBondContact O-CB 3.37Å; Q92-E96 WeakPolarHBondContact O-CG 3.48Å; Q92-E96 PolarHBondContact O-N 3.37Å; E96-R98 VanDerWaalsContact C-N 3.31Å; E96-R98 PolarHBondContact O-N 2.99Å; E96-L99 PolarHBondContact O-N 3.33Å; E96-Q100 WeakPolarHBondContact O-CB 3.42Å; E96-Q100 VanDerWaalsContact O-CG 3.29Å; E96-Q100 WeakPolarHBondContact O-CG 3.47Å; E96-Q100 PolarHBondContact O-N 3.49Å |
| 97 | Q | 89.5 | Confident | 89 | Confident | 107 Ų | 107 | 114.4 Ų | 114.4 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 174.8 | -75.5 | 176.5 | 16.3 | 0 | 0 | 111.5 | Q93 L94 Q100 Q101 | Q93-Q97 WeakPolarHBondContact O-CB 3.49Å; Q93-Q97 VanDerWaalsContact O-CG 3.26Å; Q93-Q97 WeakPolarHBondContact O-CG 3.42Å; Q93-Q97 PolarHBondContact O-N 2.96Å; L94-Q97 PolarHBondContact O-N 3.46Å; Q97-Q100 PolarHBondContact O-N 3.39Å; Q97-Q101 WeakPolarHBondContact O-CG 3.46Å; Q97-Q101 PolarHBondContact O-N 3.14Å |
| 98 | R | 91.2 | Very high | 89.1 | Confident | 159 Ų | 159 | 116 Ų | 116 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 177 | -159.3 | -176.4 | 101.6 | -162.1 | 0.2 | 111.3 | L94 E95 E96 Q100 Q101 E102 | L94-R98 WeakPolarHBondContact O-CB 3.28Å; L94-R98 PolarHBondContact O-N 2.9Å; E95-R98 WeakPolarHBondContact O-CB 3.41Å; E95-R98 PolarHBondContact O-N 3.47Å; E96-R98 VanDerWaalsContact C-N 3.31Å; E96-R98 PolarHBondContact O-N 2.99Å; R98-Q100 VanDerWaalsContact C-N 3.31Å; R98-Q100 PolarHBondContact O-N 3.33Å; R98-Q101 PolarHBondContact O-N 3.45Å; R98-E102 IonicContact CZ-OE1 3.57Å; R98-E102 IonicContact NE-OE1 2.72Å; R98-E102 PolarHBondContact NE-OE1 2.89Å; R98-E102 IonicContact NH2-OE1 3.64Å; R98-E102 WeakPolarHBondContact O-CG 3.45Å; R98-E102 PolarHBondContact O-N 3.31Å |
| 99 | L | 90.6 | Very high | 89.2 | Confident | 86 Ų | 86 | 117.9 Ų | 117.9 | 45% | 0.45 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 178.5 | -154.9 | 107.7 | 0 | 0 | 0 | 111.8 | E95 E96 E102 R103 | E95-L99 WeakPolarHBondContact O-CB 3.28Å; E95-L99 PolarHBondContact O-N 3.38Å; E96-L99 PolarHBondContact O-N 3.33Å; L99-E102 PolarHBondContact O-N 3.21Å; L99-R103 WeakPolarHBondContact O-CG 3.24Å; L99-R103 PolarHBondContact O-N 2.93Å |
| 100 | Q | 89.9 | Confident | 89 | Confident | 103 Ų | 103 | 124.2 Ų | 124.2 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.7 | -46 | 171.6 | -75.6 | 177.2 | 7.7 | 0 | 0 | 111.6 | E96 Q97 R98 E102 R103 L104 | E96-Q100 WeakPolarHBondContact O-CB 3.42Å; E96-Q100 VanDerWaalsContact O-CG 3.29Å; E96-Q100 WeakPolarHBondContact O-CG 3.47Å; E96-Q100 PolarHBondContact O-N 3.49Å; Q97-Q100 PolarHBondContact O-N 3.39Å; R98-Q100 VanDerWaalsContact C-N 3.31Å; R98-Q100 PolarHBondContact O-N 3.33Å; Q100-E102 PolarHBondContact O-N 3.1Å; Q100-R103 PolarHBondContact O-N 3.01Å; Q100-L104 WeakPolarHBondContact O-CG 3.49Å; Q100-L104 PolarHBondContact O-N 2.98Å |
| 101 | Q | 89.6 | Confident | 88.6 | Confident | 109 Ų | 109 | 124.5 Ų | 124.5 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.2 | -40.2 | 176.4 | -71.5 | -178.8 | 11 | 0 | 0 | 112.5 | Q97 R98 L104 R105 | Q97-Q101 WeakPolarHBondContact O-CG 3.46Å; Q97-Q101 PolarHBondContact O-N 3.14Å; R98-Q101 PolarHBondContact O-N 3.45Å; Q101-L104 PolarHBondContact O-N 3.03Å; Q101-R105 WeakPolarHBondContact O-CG 3.4Å; Q101-R105 PolarHBondContact O-N 2.89Å |
| 102 | E | 90.4 | Very high | 88.5 | Confident | 92 Ų | 92 | 122 Ų | 122 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 175.8 | -74.5 | 174.5 | -165.6 | 0 | 0 | 111.3 | R98 L99 Q100 L104 R105 E106 | R98-E102 IonicContact CZ-OE1 3.57Å; R98-E102 IonicContact NE-OE1 2.72Å; R98-E102 PolarHBondContact NE-OE1 2.89Å; R98-E102 IonicContact NH2-OE1 3.64Å; R98-E102 WeakPolarHBondContact O-CG 3.45Å; R98-E102 PolarHBondContact O-N 3.31Å; L99-E102 PolarHBondContact O-N 3.21Å; Q100-E102 PolarHBondContact O-N 3.1Å; E102-L104 PolarHBondContact O-N 2.92Å; E102-R105 PolarHBondContact O-N 3.14Å; E102-E106 PolarHBondContact O-N 3.45Å |
| 103 | R | 90.4 | Very high | 88.2 | Confident | 128 Ų | 128 | 124.1 Ų | 124.1 | 48% | 0.483 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 175.1 | -77.3 | -172.1 | -65.8 | -148.4 | -0.8 | 113 | L99 Q100 E106 Q107 | L99-R103 WeakPolarHBondContact O-CG 3.24Å; L99-R103 PolarHBondContact O-N 2.93Å; Q100-R103 PolarHBondContact O-N 3.01Å; R103-E106 PolarHBondContact O-N 3.43Å; R103-Q107 WeakPolarHBondContact O-CG 3.32Å; R103-Q107 PolarHBondContact O-N 3.36Å |
| 104 | L | 90.6 | Very high | 87.6 | Confident | 106 Ų | 106 | 124.9 Ų | 124.9 | 56% | 0.555 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.8 | -45 | 177 | -72 | 171.5 | 0 | 0 | 0 | 111.1 | Q100 Q101 E102 E106 Q107 E108 | Q100-L104 WeakPolarHBondContact O-CG 3.49Å; Q100-L104 PolarHBondContact O-N 2.98Å; Q101-L104 PolarHBondContact O-N 3.03Å; E102-L104 PolarHBondContact O-N 2.92Å; L104-E106 VanDerWaalsContact C-N 3.35Å; L104-E106 PolarHBondContact O-N 3.33Å; L104-Q107 PolarHBondContact O-N 3.47Å; L104-E108 PolarHBondContact O-N 3.07Å |
| 105 | R | 89.8 | Confident | 87 | Confident | 158 Ų | 158 | 127.3 Ų | 127.3 | 60% | 0.596 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62 | -40.7 | 176.1 | -71.8 | 176.9 | -180 | 179.8 | 2.1 | 112.4 | Q101 E102 E108 Q109 | Q101-R105 WeakPolarHBondContact O-CG 3.4Å; Q101-R105 PolarHBondContact O-N 2.89Å; E102-R105 PolarHBondContact O-N 3.14Å; R105-E108 PolarHBondContact O-N 3.1Å; R105-Q109 WeakPolarHBondContact O-CG 3.37Å; R105-Q109 PolarHBondContact O-N 2.68Å |
| 106 | E | 89.1 | Confident | 86.4 | Confident | 139 Ų | 139 | 128.4 Ų | 128.4 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.2 | -40.3 | 177.3 | -167.8 | -179.3 | -175.5 | 0 | 0 | 111.7 | E102 R103 L104 Q109 R110 | E102-E106 PolarHBondContact O-N 3.45Å; R103-E106 PolarHBondContact O-N 3.43Å; L104-E106 VanDerWaalsContact C-N 3.35Å; L104-E106 PolarHBondContact O-N 3.33Å; E106-Q109 PolarHBondContact O-N 3.36Å; E106-R110 WeakPolarHBondContact O-CB 3.46Å; E106-R110 PolarHBondContact O-N 2.96Å |
| 107 | Q | 85.1 | Confident | 85.7 | Confident | 122 Ų | 122 | 128.5 Ų | 128.5 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.9 | -42.4 | 174 | -74.3 | -175.4 | 23.8 | 0 | 0 | 112.3 | R103 L104 R110 R111 | R103-Q107 WeakPolarHBondContact O-CG 3.32Å; R103-Q107 PolarHBondContact O-N 3.36Å; L104-Q107 PolarHBondContact O-N 3.47Å; Q107-R110 PolarHBondContact O-N 3.17Å; Q107-R111 WeakPolarHBondContact O-CG 3.28Å; Q107-R111 PolarHBondContact O-N 3.42Å |
| 108 | E | 88.5 | Confident | 84.6 | Confident | 123 Ų | 123 | 128.3 Ų | 128.3 | 58% | 0.575 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.9 | -47.6 | 175.1 | -75.2 | -176.3 | 157.9 | 0 | 0 | 111.6 | L104 R105 R110 R111 E112 | L104-E108 PolarHBondContact O-N 3.07Å; R105-E108 PolarHBondContact O-N 3.1Å; E108-R110 VanDerWaalsContact C-N 3.28Å; E108-R110 PolarHBondContact O-N 3.01Å; E108-R111 WeakPolarHBondContact O-CB 3.42Å; E108-R111 PolarHBondContact O-N 3.09Å; E108-R111 VanDerWaalsContact O-N 3.11Å; E108-E112 PolarHBondContact O-N 3.11Å |
| 109 | Q | 85.9 | Confident | 83.1 | Confident | 103 Ų | 103 | 126.1 Ų | 126.1 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.2 | -38.5 | 175.3 | -71.3 | -177.3 | 22.1 | 0 | 0 | 112.1 | R105 E106 E112 R113 | R105-Q109 WeakPolarHBondContact O-CG 3.37Å; R105-Q109 PolarHBondContact O-N 2.68Å; E106-Q109 PolarHBondContact O-N 3.36Å; Q109-E112 PolarHBondContact O-N 3.07Å; Q109-R113 WeakPolarHBondContact O-CB 3.44Å; Q109-R113 VanDerWaalsContact O-CG 3.28Å; Q109-R113 WeakPolarHBondContact O-CG 3.33Å; Q109-R113 PolarHBondContact O-N 3.22Å |
| 110 | R | 84.3 | Confident | 81.2 | Confident | 172 Ų | 172 | 128.4 Ų | 128.4 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -39.7 | 175.7 | -168.5 | 176.2 | 179.8 | -168.5 | -1 | 111.5 | E106 Q107 E108 R113 K114 | E106-R110 WeakPolarHBondContact O-CB 3.46Å; E106-R110 PolarHBondContact O-N 2.96Å; Q107-R110 PolarHBondContact O-N 3.17Å; E108-R110 VanDerWaalsContact C-N 3.28Å; E108-R110 PolarHBondContact O-N 3.01Å; R110-R113 PolarHBondContact O-N 3.4Å; R110-K114 WeakPolarHBondContact O-CG 3.29Å; R110-K114 PolarHBondContact O-N 3.03Å |
| 111 | R | 84.3 | Confident | 79 | Confident | 158 Ų | 158 | 128.9 Ų | 128.9 | 60% | 0.596 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.1 | -42.8 | 174.3 | -72.6 | 176.4 | 76.5 | -174.7 | 6.2 | 111.5 | Q107 E108 K114 R115 | Q107-R111 WeakPolarHBondContact O-CG 3.28Å; Q107-R111 PolarHBondContact O-N 3.42Å; E108-R111 WeakPolarHBondContact O-CB 3.42Å; E108-R111 PolarHBondContact O-N 3.09Å; E108-R111 VanDerWaalsContact O-N 3.11Å; R111-K114 PolarHBondContact O-N 3.45Å; R111-R115 WeakPolarHBondContact O-CG 3.25Å; R111-R115 PolarHBondContact O-N 3.01Å |
| 112 | E | 85 | Confident | 76.9 | Confident | 108 Ų | 108 | 134 Ų | 134 | 51% | 0.505 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.2 | -41.6 | 175.7 | -73.8 | -169.9 | 171.3 | 0 | 0 | 112.6 | E108 Q109 K114 R115 K116 | E108-E112 PolarHBondContact O-N 3.11Å; Q109-E112 PolarHBondContact O-N 3.07Å; E112-K114 VanDerWaalsContact C-N 3.35Å; E112-R115 PolarHBondContact O-N 3.09Å; E112-K116 WeakPolarHBondContact O-CB 3.37Å; E112-K116 WeakPolarHBondContact O-CG 3.3Å; E112-K116 PolarHBondContact O-N 3.45Å |
| 113 | R | 80.5 | Confident | 74.8 | Confident | 163 Ų | 163 | 134.1 Ų | 134.1 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.9 | -45.5 | 173.5 | -74.4 | 175.8 | -171.9 | -171.6 | 5.4 | 111 | Q109 R110 R115 K116 I117 | Q109-R113 WeakPolarHBondContact O-CB 3.44Å; Q109-R113 VanDerWaalsContact O-CG 3.28Å; Q109-R113 WeakPolarHBondContact O-CG 3.33Å; Q109-R113 PolarHBondContact O-N 3.22Å; R110-R113 PolarHBondContact O-N 3.4Å; R113-R115 PolarHBondContact O-N 3.24Å; R113-K116 PolarHBondContact O-N 3.16Å; R113-I117 WeakPolarHBondContact O-CB 3.45Å; R113-I117 WeakPolarHBondContact O-CD1 3.29Å; R113-I117 WeakPolarHBondContact O-CG1 3.3Å; R113-I117 PolarHBondContact O-N 2.72Å |
| 114 | K | 76.8 | Confident | 72.4 | Confident | 132 Ų | 132 | 136.3 Ų | 136.3 | 57% | 0.574 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -60.1 | -43.1 | 175 | -75.1 | -175.7 | 176.2 | -165.8 | 0 | 112.2 | R110 R111 E112 I117 S118 | R110-K114 WeakPolarHBondContact O-CG 3.29Å; R110-K114 PolarHBondContact O-N 3.03Å; R111-K114 PolarHBondContact O-N 3.45Å; E112-K114 VanDerWaalsContact C-N 3.35Å; K114-I117 PolarHBondContact O-N 2.96Å; K114-S118 VanDerWaalsContact O-CB 3.3Å; K114-S118 WeakPolarHBondContact O-CB 3.37Å; K114-S118 PolarHBondContact O-N 3.46Å |
| 115 | R | 79.4 | Confident | 70.2 | Confident | 169 Ų | 169 | 136.9 Ų | 136.9 | 64% | 0.638 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.5 | -42.8 | 175.5 | -74.6 | 178 | 174.5 | -176.5 | -2.9 | 112.5 | R111 E112 R113 S118 C119 | R111-R115 WeakPolarHBondContact O-CG 3.25Å; R111-R115 PolarHBondContact O-N 3.01Å; E112-R115 PolarHBondContact O-N 3.09Å; R113-R115 PolarHBondContact O-N 3.24Å; R115-S118 PolarHBondContact O-N 2.91Å; R115-C119 PolarHBondContact O-N 3.41Å |
| 116 | K | 76.7 | Confident | 67.9 | Low | 141 Ų | 141 | 137.1 Ų | 137.1 | 61% | 0.613 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -64.6 | -39.4 | 175.7 | -75.9 | 172.4 | -180 | 169.3 | 0 | 112.2 | E112 R113 C119 L120 | E112-K116 WeakPolarHBondContact O-CB 3.37Å; E112-K116 WeakPolarHBondContact O-CG 3.3Å; E112-K116 PolarHBondContact O-N 3.45Å; R113-K116 PolarHBondContact O-N 3.16Å; K116-C119 PolarHBondContact O-N 3.31Å; K116-L120 PolarHBondContact O-N 3.31Å |
| 117 | I | 72.3 | Confident | 65.7 | Low | 120 Ų | 120 | 136.7 Ų | 136.7 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -65.9 | -41.9 | 174.1 | -67.4 | 162 | 0 | 0 | 0 | 110.4 | R113 K114 C119 L120 | R113-I117 WeakPolarHBondContact O-CB 3.45Å; R113-I117 WeakPolarHBondContact O-CD1 3.29Å; R113-I117 WeakPolarHBondContact O-CG1 3.3Å; R113-I117 PolarHBondContact O-N 2.72Å; K114-I117 PolarHBondContact O-N 2.96Å; I117-C119 VanDerWaalsContact C-N 3.3Å; I117-C119 PolarHBondContact O-N 3.48Å; I117-L120 PolarHBondContact O-N 3.21Å; I117-L120 VanDerWaalsContact O-N 3.17Å |
| 118 | S | 66.8 | Low | 63.2 | Low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -65.6 | -27.8 | 175.9 | 172 | 0 | 0 | 0 | 0 | 113.6 | K114 R115 L120 | K114-S118 VanDerWaalsContact O-CB 3.3Å; K114-S118 WeakPolarHBondContact O-CB 3.37Å; K114-S118 PolarHBondContact O-N 3.46Å; R115-S118 PolarHBondContact O-N 2.91Å; S118-L120 VanDerWaalsContact C-N 3.32Å |
| 119 | C | 59 | Low | 60.9 | Low | 113 Ų | 113 | 139.4 Ų | 139.4 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -8.8 | 173.6 | -100.1 | 0 | 0 | 0 | 0 | 114.4 | R115 K116 I117 | R115-C119 PolarHBondContact O-N 3.41Å; K116-C119 PolarHBondContact O-N 3.31Å; I117-C119 VanDerWaalsContact C-N 3.3Å; I117-C119 PolarHBondContact O-N 3.48Å |
| 120 | L | 51.2 | Low | 58.3 | Low | 134 Ų | 134 | 141.8 Ų | 141.8 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -94 | 109.5 | 173.4 | -66.9 | 171.2 | 0 | 0 | 0 | 108.2 | K116 I117 S118 F122 | K116-L120 PolarHBondContact O-N 3.31Å; I117-L120 PolarHBondContact O-N 3.21Å; I117-L120 VanDerWaalsContact O-N 3.17Å; S118-L120 VanDerWaalsContact C-N 3.32Å; L120-F122 VanDerWaalsContact C-N 3.28Å; L120-F122 PolarHBondContact O-N 3.17Å |
| 121 | S | 43.8 | Very low | 56.1 | Low | 113 Ų | 113 | 137.9 Ų | 137.9 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -69.2 | 65.9 | -169.6 | 60.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 122 | F | 46.1 | Very low | 53.6 | Low | 216 Ų | 216 | 137.3 Ų | 137.3 | 95% | 0.947 | 73% | 0.725 | S | S | * | * | trans | -154.1 | 58.9 | 164.3 | -109.6 | -81.2 | 0 | 0 | 0 | 110.7 | L120 | L120-F122 VanDerWaalsContact C-N 3.28Å; L120-F122 PolarHBondContact O-N 3.17Å | ||
| 123 | A | 45.5 | Very low | 51.3 | Low | 94 Ų | 94 | 136.9 Ų | 136.9 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -152 | 113.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||
| 124 | L | 39.8 | Very low | 49 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | trans | -56.5 | 135.5 | 178.6 | -143 | 88.4 | 0 | 0 | 0 | 109.5 | D126 | L124-D126 PolarHBondContact O-N 2.82Š| ||
| 125 | D | 44.9 | Very low | 47.1 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | trans | -47.5 | 119.4 | 162.2 | -166.1 | 27.6 | 0 | 0 | 0 | 110.8 | L127 | D125-L127 WeakPolarHBondContact OD1-CG 3.39Š| ||
| 126 | D | 41.4 | Very low | 45.1 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | -149.5 | 96.1 | 138.5 | -114 | -15 | 0 | 0 | 0 | 107.3 | L124 | L124-D126 PolarHBondContact O-N 2.82Š| ||
| 127 | L | 41.5 | Very low | 43.5 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -59.8 | 123.5 | 166.6 | -69.6 | 160.1 | 0 | 0 | 0 | 109.5 | D125 | D125-L127 WeakPolarHBondContact OD1-CG 3.39Š| ||
| 128 | D | 33.3 | Very low | 42.2 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -144.9 | 79.9 | 137.3 | -129.6 | -5.8 | 0 | 0 | 0 | 109.1 | Q130 | D128-Q130 PolarHBondContact O-N 3.08Š| ||
| 129 | D | 39.9 | Very low | 41.3 | Very low | 162 Ų | 162 | 134 Ų | 134 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | -71.7 | 75.5 | 154.5 | -95.2 | -39.6 | 0 | 0 | 0 | 107.1 | ||||
| 130 | Q | 32.1 | Very low | 41.1 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | trans | -90.4 | 110.4 | 159.3 | -152.3 | 154.9 | 52.6 | 0 | 0 | 107.5 | D128 D132 | D128-Q130 PolarHBondContact O-N 3.08Å; Q130-D132 VanDerWaalsContact C-N 3.31Å; Q130-D132 PolarHBondContact O-N 2.85Å | ||
| 131 | A | 37.1 | Very low | 41.4 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | -59.3 | 86.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A133 | A131-A133 PolarHBondContact O-N 3.14Š| ||
| 132 | D | 33.5 | Very low | 41.6 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -79.2 | 70 | 156.6 | -76.5 | -35.5 | 0 | 0 | 0 | 108.9 | Q130 A134 | Q130-D132 VanDerWaalsContact C-N 3.31Å; Q130-D132 PolarHBondContact O-N 2.85Å; D132-A134 HydrophobicContact CB-CB 4.38Å; D132-A134 PolarHBondContact O-N 3.39Å; D132-A134 VanDerWaalsContact O-N 3.17Å | ||
| 133 | A | 35.5 | Very low | 42.3 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -73.6 | 38.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A131 E135 | A131-A133 PolarHBondContact O-N 3.14Å; A133-E135 PolarHBondContact O-N 2.84Å | ||
| 134 | A | 32.1 | Very low | 43.2 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 59% | 0.587 | 74% | 0.741 | S | S | * | * | trans | -79 | 107.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | D132 A136 | D132-A134 HydrophobicContact CB-CB 4.38Å; D132-A134 PolarHBondContact O-N 3.39Å; D132-A134 VanDerWaalsContact O-N 3.17Å; A134-A136 PolarHBondContact O-N 3.28Å | ||
| 135 | E | 37.6 | Very low | 44.3 | Very low | 135 Ų | 135 | 126.6 Ų | 126.6 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | trans | 18.6 | 107.7 | 156 | -65.3 | 178 | 144.2 | 0 | 0 | 114.2 | A133 R137 | A133-E135 PolarHBondContact O-N 2.84Å; E135-R137 HydrophobicContact CB-CG 3.74Å; E135-R137 PolarHBondContact O-N 2.89Å; E135-R137 IonicContact OE2-CZ 2.65Å; E135-R137 IonicContact OE2-NE 2.63Å; E135-R137 PolarHBondContact OE2-NE 3.39Å; E135-R137 IonicContact OE2-NH2 3.14Å; E135-R137 PolarHBondContact OE2-NH2 3.13Å | ||
| 136 | A | 37.3 | Very low | 45.5 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 88% | 0.876 | 74% | 0.739 | S | S | * | * | trans | -58.7 | 74.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | A134 R138 | A134-A136 PolarHBondContact O-N 3.28Å; A136-R138 VanDerWaalsContact C-N 3.33Å; A136-R138 PolarHBondContact O-N 2.77Å | ||
| 137 | R | 42.7 | Very low | 47 | Very low | 199 Ų | 199 | 127.1 Ų | 127.1 | 75% | 0.751 | 74% | 0.739 | S | S | * | * | trans | -52.9 | 111.3 | 160 | -68.4 | -172.6 | 172.6 | -178.4 | -4.3 | 102.4 | E135 A139 | E135-R137 HydrophobicContact CB-CG 3.74Å; E135-R137 PolarHBondContact O-N 2.89Å; E135-R137 IonicContact OE2-CZ 2.65Å; E135-R137 IonicContact OE2-NE 2.63Å; E135-R137 PolarHBondContact OE2-NE 3.39Å; E135-R137 IonicContact OE2-NH2 3.14Å; E135-R137 PolarHBondContact OE2-NH2 3.13Å; R137-A139 PolarHBondContact O-N 3.28Å | ||
| 138 | R | 45.5 | Very low | 48.7 | Very low | 161 Ų | 161 | 125.5 Ų | 125.5 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | trans | -35.6 | 122.4 | 162.7 | -67.2 | 179.5 | 178 | -169.7 | -3 | 104.8 | A136 G140 D157 | A136-R138 VanDerWaalsContact C-N 3.33Å; A136-R138 PolarHBondContact O-N 2.77Å; R138-G140 PolarHBondContact O-N 3.1Å; R138-D157 IonicContact CZ-OD1 3.66Å; R138-D157 IonicContact NH1-OD1 3.29Å; R138-D157 PolarHBondContact NH1-OD1 3.48Å; R138-D157 IonicContact NH1-OD2 2.75Å; R138-D157 PolarHBondContact NH1-OD2 3.28Å; R138-D157 IonicContact NH2-OD1 3.97Å | ||
| 139 | A | 47.9 | Very low | 50.5 | Low | 96 Ų | 96 | 124.8 Ų | 124.8 | 79% | 0.793 | 73% | 0.731 | S | S | * | * | trans | -58.9 | 85.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | R137 N141 | R137-A139 PolarHBondContact O-N 3.28Å; A139-N141 PolarHBondContact O-N 3.23Å | ||
| 140 | G | 54.1 | Low | 52 | Low | 54 Ų | 54 | 119.6 Ų | 119.6 | 56% | 0.557 | 71% | 0.705 | S | S | * | * | trans | -76.7 | 97.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | R138 L142 | R138-G140 PolarHBondContact O-N 3.1Å; G140-L142 PolarHBondContact O-N 3.39Å | ||
| 141 | N | 57.8 | Low | 53.8 | Low | 112 Ų | 112 | 115.8 Ų | 115.8 | 60% | 0.599 | 70% | 0.695 | S | S | * | * | trans | 14.6 | 62 | 164.3 | -68.1 | -12.8 | 0 | 0 | 0 | 114.7 | A139 G143 K144 | A139-N141 PolarHBondContact O-N 3.23Å; N141-G143 PolarHBondContact O-N 3Å; N141-G143 VanDerWaalsContact O-N 3.09Å; N141-K144 HydrophobicContact CB-CD 4.25Å | ||
| 142 | L | 47.9 | Very low | 55.3 | Low | 176 Ų | 176 | 120.7 Ų | 120.7 | 92% | 0.921 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 109.8 | 176.3 | -84.6 | 140.8 | 0 | 0 | 0 | 106.7 | G140 | G140-L142 PolarHBondContact O-N 3.39Š|
| 143 | G | 60.4 | Low | 57.4 | Low | 83 Ų | 83 | 118.7 Ų | 118.7 | 86% | 0.856 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.1 | 7.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | N141 | N141-G143 PolarHBondContact O-N 3Å; N141-G143 VanDerWaalsContact O-N 3.09Å |
| 144 | K | 64.8 | Low | 59 | Low | 139 Ų | 139 | 119.6 Ų | 119.6 | 60% | 0.604 | 69% | 0.686 | S | S | * | * | trans | -101.2 | 130.1 | 170.1 | -63.4 | -176.1 | -176.8 | 175.4 | 0 | 109.9 | N141 | N141-K144 HydrophobicContact CB-CD 4.25Š| ||
| 145 | N | 64.1 | Low | 61.1 | Low | 126 Ų | 126 | 119 Ų | 119 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | trans | -61.4 | 131.5 | 175.5 | -79.4 | -16.8 | 0 | 0 | 0 | 110 | D147 V148 | N145-D147 PolarHBondContact O-N 3.37Å; N145-V148 HydrophobicContact CB-CG2 4.01Å; N145-V148 PolarHBondContact O-N 3.26Å | ||
| 146 | P | 68.4 | Low | 63 | Low | 130 Ų | 130 | 120.2 Ų | 120.2 | 84% | 0.844 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -16.2 | -176.1 | 26.7 | -34 | 0 | 0 | 0 | 114.3 | ||
| 147 | D | 74.5 | Confident | 65 | Low | 163 Ų | 163 | 118 Ų | 118 | 87% | 0.872 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -3.5 | 178.9 | -86.5 | -18.2 | 0 | 0 | 0 | 114.3 | N145 D149 | N145-D147 PolarHBondContact O-N 3.37Å; D147-D149 PolarHBondContact O-N 2.96Å |
| 148 | V | 75.8 | Confident | 66.8 | Low | 94 Ų | 94 | 112.8 Ų | 112.8 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -79 | 118.5 | 177.3 | 175.3 | 0 | 0 | 0 | 0 | 108.7 | N145 T150 | N145-V148 HydrophobicContact CB-CG2 4.01Å; N145-V148 PolarHBondContact O-N 3.26Å; V148-T150 WeakPolarHBondContact O-CG2 3.37Å; V148-T150 PolarHBondContact O-N 3.43Å; V148-T150 VanDerWaalsContact O-N 3.07Å |
| 149 | D | 70.7 | Confident | 68.5 | Low | 126 Ų | 126 | 110 Ų | 110 | 67% | 0.674 | 62% | 0.619 | S | S | * | * | trans | -60.4 | 110.7 | 177.7 | -177.6 | 14.7 | 0 | 0 | 0 | 111.3 | D147 S151 | D147-D149 PolarHBondContact O-N 2.96Å; D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 2.86Å; D149-S151 PolarHBondContact OD1-OG 2.89Å; D149-S151 PolarHBondContact OD2-OG 3.11Å | ||
| 150 | T | 72.4 | Confident | 70.2 | Confident | 52 Ų | 52 | 109 Ų | 109 | 32% | 0.319 | 60% | 0.598 | S | S | . | * | trans | -99.9 | 14 | 176.2 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | V148 F152 L153 R158 | V148-T150 WeakPolarHBondContact O-CG2 3.37Å; V148-T150 PolarHBondContact O-N 3.43Å; V148-T150 VanDerWaalsContact O-N 3.07Å; T150-F152 PolarHBondContact O-N 3.48Å; T150-F152 VanDerWaalsContact O-N 3.14Å; T150-L153 PolarHBondContact O-N 3.01Å; T150-L153 VanDerWaalsContact O-N 3.12Å; T150-R158 PolarHBondContact O-NH1 3.31Å; T150-R158 PolarHBondContact OG1-NH2 2.89Å | ||
| 151 | S | 70.1 | Confident | 71.6 | Confident | 73 Ų | 73 | 112 Ų | 112 | 51% | 0.51 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54 | -29.5 | 179.6 | 63.2 | 0 | 0 | 0 | 0 | 114 | D149 | D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 2.86Å; D149-S151 PolarHBondContact OD1-OG 2.89Å; D149-S151 PolarHBondContact OD2-OG 3.11Å |
| 152 | F | 69.1 | Low | 72.9 | Confident | 195 Ų | 195 | 111 Ų | 111 | 86% | 0.855 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -14.8 | -178.4 | -172.4 | -105.6 | 0 | 0 | 0 | 114.6 | T150 | T150-F152 PolarHBondContact O-N 3.48Å; T150-F152 VanDerWaalsContact O-N 3.14Å |
| 153 | L | 76.3 | Confident | 74.8 | Confident | 103 Ų | 103 | 106.1 Ų | 106.1 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -86.4 | 134.9 | 177.4 | -74.8 | 163.7 | 0 | 0 | 0 | 109.8 | T150 D155 | T150-L153 PolarHBondContact O-N 3.01Å; T150-L153 VanDerWaalsContact O-N 3.12Å; L153-D155 PolarHBondContact O-N 3.26Å |
| 154 | P | 69.8 | Low | 76.3 | Confident | 117 Ų | 117 | 108.4 Ų | 108.4 | 76% | 0.76 | 55% | 0.547 | S | S | * | . | trans | -56.6 | 110.6 | 168 | -22.8 | 33.2 | 0 | 0 | 0 | 109.4 | ||||
| 155 | D | 76.6 | Confident | 77.6 | Confident | 58 Ų | 58 | 106.5 Ų | 106.5 | 31% | 0.31 | 54% | 0.543 | S | S | . | . | trans | -121.3 | 108.2 | -176.4 | -171.9 | -16.4 | 0 | 0 | 0 | 108.1 | L153 D157 R158 E159 | L153-D155 PolarHBondContact O-N 3.26Å; D155-D157 PolarHBondContact O-N 3.33Å; D155-D157 PolarHBondContact OD1-N 2.93Å; D155-D157 VanDerWaalsContact OD1-N 3.12Å; D155-R158 HydrophobicContact CB-CB 3.89Å; D155-R158 PolarHBondContact O-N 2.91Å; D155-E159 WeakPolarHBondContact O-CG 3.42Å; D155-E159 PolarHBondContact O-N 3.31Å | ||
| 156 | R | 76.4 | Confident | 78.9 | Confident | 162 Ų | 162 | 106.9 Ų | 106.9 | 61% | 0.611 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.1 | -36.5 | -176.3 | -168.8 | -177.3 | 69 | 167 | 2.1 | 111.7 | E160 | R156-E160 WeakPolarHBondContact CG-OE1 3.34Å; R156-E160 IonicContact NE-OE1 3.81Å; R156-E160 WeakPolarHBondContact O-CB 3.47Å; R156-E160 WeakPolarHBondContact O-CG 3.42Å; R156-E160 PolarHBondContact O-N 2.86Å |
| 157 | D | 80.2 | Confident | 80 | Confident | 59 Ų | 59 | 106.1 Ų | 106.1 | 32% | 0.316 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.4 | -35.6 | -178.9 | -68.1 | -26.5 | 0 | 0 | 0 | 110.6 | R138 D155 E160 E161 | R138-D157 IonicContact CZ-OD1 3.66Å; R138-D157 IonicContact NH1-OD1 3.29Å; R138-D157 PolarHBondContact NH1-OD1 3.48Å; R138-D157 IonicContact NH1-OD2 2.75Å; R138-D157 PolarHBondContact NH1-OD2 3.28Å; R138-D157 IonicContact NH2-OD1 3.97Å; D155-D157 PolarHBondContact O-N 3.33Å; D155-D157 PolarHBondContact OD1-N 2.93Å; D155-D157 VanDerWaalsContact OD1-N 3.12Å; D157-E160 PolarHBondContact O-N 3.41Å; D157-E161 WeakPolarHBondContact O-CG 3.26Å; D157-E161 PolarHBondContact O-N 3.4Å |
| 158 | R | 80.3 | Confident | 81 | Confident | 90 Ų | 90 | 103.4 Ų | 103.4 | 34% | 0.34 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70 | -41.9 | 174.2 | -171.2 | -177 | -69.4 | 137 | -4.7 | 112.5 | T150 D155 E160 E161 E162 | T150-R158 PolarHBondContact O-NH1 3.31Å; T150-R158 PolarHBondContact OG1-NH2 2.89Å; D155-R158 HydrophobicContact CB-CB 3.89Å; D155-R158 PolarHBondContact O-N 2.91Å; R158-E160 VanDerWaalsContact C-N 3.31Å; R158-E161 PolarHBondContact O-N 2.95Å; R158-E162 WeakPolarHBondContact O-CB 3.46Å; R158-E162 PolarHBondContact O-N 3.37Å |
| 159 | E | 80.9 | Confident | 81.8 | Confident | 101 Ų | 101 | 103.5 Ų | 103.5 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 174.4 | -73.1 | 177.1 | -164.2 | 0 | 0 | 111.2 | D155 E162 N163 | D155-E159 WeakPolarHBondContact O-CG 3.42Å; D155-E159 PolarHBondContact O-N 3.31Å; E159-E162 PolarHBondContact O-N 3.5Å; E159-N163 VanDerWaalsContact O-CB 3.28Å; E159-N163 WeakPolarHBondContact O-CB 3.41Å; E159-N163 PolarHBondContact O-N 2.93Å; E159-N163 PolarHBondContact O-ND2 2.91Å; E159-N163 VanDerWaalsContact O-ND2 3.08Å |
| 160 | E | 83.1 | Confident | 82.9 | Confident | 77 Ų | 77 | 105.9 Ų | 105.9 | 36% | 0.36 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 172.4 | -77.7 | 173.5 | -160.1 | 0 | 0 | 111.6 | R156 D157 R158 N163 R164 | R156-E160 WeakPolarHBondContact CG-OE1 3.34Å; R156-E160 IonicContact NE-OE1 3.81Å; R156-E160 WeakPolarHBondContact O-CB 3.47Å; R156-E160 WeakPolarHBondContact O-CG 3.42Å; R156-E160 PolarHBondContact O-N 2.86Å; D157-E160 PolarHBondContact O-N 3.41Å; R158-E160 VanDerWaalsContact C-N 3.31Å; E160-N163 PolarHBondContact O-N 2.97Å; E160-R164 WeakPolarHBondContact O-CB 3.32Å; E160-R164 VanDerWaalsContact O-CG 3.29Å; E160-R164 WeakPolarHBondContact O-CG 3.47Å; E160-R164 PolarHBondContact O-N 3.42Å |
| 161 | E | 84.9 | Confident | 83.9 | Confident | 115 Ų | 115 | 109.4 Ų | 109.4 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 173.1 | -76.9 | 175.6 | -178 | 0 | 0 | 112.9 | D157 R158 N163 R164 L165 | D157-E161 WeakPolarHBondContact O-CG 3.26Å; D157-E161 PolarHBondContact O-N 3.4Å; R158-E161 PolarHBondContact O-N 2.95Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.3Å; E161-R164 PolarHBondContact O-N 2.86Å; E161-R164 IonicContact OE1-NH2 3.75Å; E161-L165 WeakPolarHBondContact O-CB 3.39Å; E161-L165 PolarHBondContact O-N 3.17Å |
| 162 | E | 85.1 | Confident | 85.1 | Confident | 92 Ų | 92 | 111.2 Ų | 111.2 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.8 | -166.6 | -174.7 | 166.6 | 0 | 0 | 111.2 | R158 E159 L165 R166 | R158-E162 WeakPolarHBondContact O-CB 3.46Å; R158-E162 PolarHBondContact O-N 3.37Å; E159-E162 PolarHBondContact O-N 3.5Å; E162-L165 PolarHBondContact O-N 2.88Å; E162-R166 WeakPolarHBondContact O-CB 3.46Å; E162-R166 WeakPolarHBondContact O-CD 3.5Å; E162-R166 WeakPolarHBondContact O-CG 3.48Å; E162-R166 PolarHBondContact O-N 3.41Å; E162-R166 IonicContact OE1-CZ 3.73Å; E162-R166 IonicContact OE1-NE 2.64Å; E162-R166 PolarHBondContact OE1-NE 3.34Å; E162-R166 VanDerWaalsContact OE1-NE 3.11Å; E162-R166 IonicContact OE1-NH2 3.86Å; E162-R166 PolarHBondContact OE1-NH2 3.02Å |
| 163 | N | 86.4 | Confident | 86.1 | Confident | 74 Ų | 74 | 109.8 Ų | 109.8 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 175.7 | -73.5 | -29.2 | 0 | 0 | 0 | 111.7 | E159 E160 E161 R166 E167 | E159-N163 VanDerWaalsContact O-CB 3.28Å; E159-N163 WeakPolarHBondContact O-CB 3.41Å; E159-N163 PolarHBondContact O-N 2.93Å; E159-N163 PolarHBondContact O-ND2 2.91Å; E159-N163 VanDerWaalsContact O-ND2 3.08Å; E160-N163 PolarHBondContact O-N 2.97Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.3Å; N163-R166 PolarHBondContact O-N 3.36Å; N163-E167 WeakPolarHBondContact O-CB 3.4Å; N163-E167 WeakPolarHBondContact O-CG 3.38Å; N163-E167 PolarHBondContact O-N 3.49Å |
| 164 | R | 92.8 | Very high | 86.8 | Confident | 130 Ų | 130 | 111 Ų | 111 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 173.1 | -76.7 | -174.4 | -67.5 | -153 | 3.2 | 111.3 | E160 E161 R166 E167 E168 | E160-R164 WeakPolarHBondContact O-CB 3.32Å; E160-R164 VanDerWaalsContact O-CG 3.29Å; E160-R164 WeakPolarHBondContact O-CG 3.47Å; E160-R164 PolarHBondContact O-N 3.42Å; E161-R164 PolarHBondContact O-N 2.86Å; E161-R164 IonicContact OE1-NH2 3.75Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.44Å; R164-E167 PolarHBondContact O-N 2.92Å; R164-E167 VanDerWaalsContact O-N 3.14Å; R164-E168 WeakPolarHBondContact O-CG 3.38Å; R164-E168 PolarHBondContact O-N 3.45Å |
| 165 | L | 91.1 | Very high | 87.9 | Confident | 99 Ų | 99 | 107.3 Ų | 107.3 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 177.9 | -166.3 | 79.4 | 0 | 0 | 0 | 111.8 | E161 E162 E167 E168 L169 | E161-L165 WeakPolarHBondContact O-CB 3.39Å; E161-L165 PolarHBondContact O-N 3.17Å; E162-L165 PolarHBondContact O-N 2.88Å; L165-E167 VanDerWaalsContact C-N 3.34Å; L165-E168 PolarHBondContact O-N 2.97Å; L165-L169 HydrophobicContact CG-CD1 4.27Å; L165-L169 WeakPolarHBondContact O-CB 3.36Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.19Å |
| 166 | R | 91.9 | Very high | 88.5 | Confident | 135 Ų | 135 | 109.8 Ų | 109.8 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 174.9 | -75.9 | 168.6 | 176.1 | -163.3 | 0 | 112.1 | E162 N163 R164 R170 | E162-R166 WeakPolarHBondContact O-CB 3.46Å; E162-R166 WeakPolarHBondContact O-CD 3.5Å; E162-R166 WeakPolarHBondContact O-CG 3.48Å; E162-R166 PolarHBondContact O-N 3.41Å; E162-R166 IonicContact OE1-CZ 3.73Å; E162-R166 IonicContact OE1-NE 2.64Å; E162-R166 PolarHBondContact OE1-NE 3.34Å; E162-R166 VanDerWaalsContact OE1-NE 3.11Å; E162-R166 IonicContact OE1-NH2 3.86Å; E162-R166 PolarHBondContact OE1-NH2 3.02Å; N163-R166 PolarHBondContact O-N 3.36Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.44Å; R166-R170 VanDerWaalsContact O-CB 3.3Å; R166-R170 WeakPolarHBondContact O-CB 3.35Å; R166-R170 PolarHBondContact O-N 3.36Å; R166-R170 VanDerWaalsContact O-N 3.08Å |
| 167 | E | 90.9 | Very high | 89.1 | Confident | 114 Ų | 114 | 106.6 Ų | 106.6 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.1 | -43.8 | 175.9 | -75.7 | 177.7 | -173.2 | 0 | 0 | 111.5 | N163 R164 L165 R170 Q171 | N163-E167 WeakPolarHBondContact O-CB 3.4Å; N163-E167 WeakPolarHBondContact O-CG 3.38Å; N163-E167 PolarHBondContact O-N 3.49Å; R164-E167 PolarHBondContact O-N 2.92Å; R164-E167 VanDerWaalsContact O-N 3.14Å; L165-E167 VanDerWaalsContact C-N 3.34Å; E167-R170 WeakPolarHBondContact O-CB 3.39Å; E167-R170 PolarHBondContact O-N 3.02Å; E167-Q171 WeakPolarHBondContact O-CG 3.45Å; E167-Q171 PolarHBondContact O-N 3.03Å |
| 168 | E | 95.4 | Very high | 89.6 | Confident | 105 Ų | 105 | 109.6 Ų | 109.6 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.9 | -51.9 | 174.4 | -73.7 | 173.1 | 179.8 | 0 | 0 | 111 | R164 L165 R170 Q171 E172 | R164-E168 WeakPolarHBondContact O-CG 3.38Å; R164-E168 PolarHBondContact O-N 3.45Å; L165-E168 PolarHBondContact O-N 2.97Å; E168-R170 PolarHBondContact O-N 3.05Å; E168-Q171 PolarHBondContact O-N 3.45Å; E168-Q171 VanDerWaalsContact O-N 3.07Å; E168-E172 WeakPolarHBondContact O-CG 3.48Å; E168-E172 PolarHBondContact O-N 2.98Å |
| 169 | L | 93.8 | Very high | 90.1 | Very high | 97 Ų | 97 | 112.5 Ų | 112.5 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -35 | 176.8 | -74 | 169.6 | 0 | 0 | 0 | 112.4 | L165 W173 | L165-L169 HydrophobicContact CG-CD1 4.27Å; L165-L169 WeakPolarHBondContact O-CB 3.36Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.19Å; L169-W173 WeakPolarHBondContact O-CB 3.21Å; L169-W173 PolarHBondContact O-N 3.26Å |
| 170 | R | 93 | Very high | 90.4 | Very high | 175 Ų | 175 | 110 Ų | 110 | 66% | 0.66 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.8 | -43.9 | 175.2 | -175.1 | -171.6 | -56.5 | -85.5 | -2.7 | 111.2 | R166 E167 E168 W173 E174 | R166-R170 VanDerWaalsContact O-CB 3.3Å; R166-R170 WeakPolarHBondContact O-CB 3.35Å; R166-R170 PolarHBondContact O-N 3.36Å; R166-R170 VanDerWaalsContact O-N 3.08Å; E167-R170 WeakPolarHBondContact O-CB 3.39Å; E167-R170 PolarHBondContact O-N 3.02Å; E168-R170 PolarHBondContact O-N 3.05Å; R170-W173 PolarHBondContact O-N 3.43Å; R170-E174 WeakPolarHBondContact O-CB 3.45Å; R170-E174 PolarHBondContact O-N 3.02Å |
| 171 | Q | 93.8 | Very high | 90.8 | Very high | 127 Ų | 127 | 109.6 Ų | 109.6 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 177.5 | -71.2 | 176.4 | 27.5 | 0 | 0 | 111.4 | E167 E168 W173 E174 A175 | E167-Q171 WeakPolarHBondContact O-CG 3.45Å; E167-Q171 PolarHBondContact O-N 3.03Å; E168-Q171 PolarHBondContact O-N 3.45Å; E168-Q171 VanDerWaalsContact O-N 3.07Å; Q171-W173 VanDerWaalsContact C-N 3.32Å; Q171-W173 PolarHBondContact O-N 2.84Å; Q171-E174 PolarHBondContact O-N 2.81Å; Q171-A175 VanDerWaalsContact O-CB 3.29Å; Q171-A175 WeakPolarHBondContact O-CB 3.43Å; Q171-A175 PolarHBondContact O-N 3.07Å |
| 172 | E | 95.1 | Very high | 91 | Very high | 111 Ų | 111 | 107.8 Ų | 107.8 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 174.9 | -72.9 | -177.6 | 169.6 | 0 | 0 | 111.2 | E168 A175 Q176 | E168-E172 WeakPolarHBondContact O-CG 3.48Å; E168-E172 PolarHBondContact O-N 2.98Å; E172-A175 PolarHBondContact O-N 2.95Å; E172-Q176 WeakPolarHBondContact O-CB 3.49Å; E172-Q176 VanDerWaalsContact O-CG 3.27Å; E172-Q176 WeakPolarHBondContact O-CG 3.28Å; E172-Q176 PolarHBondContact O-N 3.05Å |
| 173 | W | 91.1 | Very high | 91.2 | Very high | 165 Ų | 165 | 107.3 Ų | 107.3 | 63% | 0.625 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 176 | -176.3 | -102.3 | 0 | 0 | 0 | 112.1 | L169 R170 Q171 Q176 R177 | L169-W173 WeakPolarHBondContact O-CB 3.21Å; L169-W173 PolarHBondContact O-N 3.26Å; R170-W173 PolarHBondContact O-N 3.43Å; Q171-W173 VanDerWaalsContact C-N 3.32Å; Q171-W173 PolarHBondContact O-N 2.84Å; W173-Q176 PolarHBondContact O-N 3.39Å; W173-R177 WeakPolarHBondContact O-CB 3.38Å; W173-R177 VanDerWaalsContact O-CG 3.28Å; W173-R177 WeakPolarHBondContact O-CG 3.27Å; W173-R177 PolarHBondContact O-N 3.18Å |
| 174 | E | 90.8 | Very high | 91.3 | Very high | 127 Ų | 127 | 109.2 Ų | 109.2 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 177 | -174.5 | 162 | -149.6 | 0 | 0 | 111.9 | R170 Q171 Q176 R177 E178 | R170-E174 WeakPolarHBondContact O-CB 3.45Å; R170-E174 PolarHBondContact O-N 3.02Å; Q171-E174 PolarHBondContact O-N 2.81Å; E174-Q176 PolarHBondContact O-N 3.36Å; E174-R177 WeakPolarHBondContact O-CB 3.26Å; E174-R177 PolarHBondContact O-N 3.17Å; E174-E178 WeakPolarHBondContact O-CB 3.42Å; E174-E178 PolarHBondContact O-N 3.03Å |
| 175 | A | 92.4 | Very high | 90.8 | Very high | 40 Ų | 40 | 104.4 Ų | 104.4 | 33% | 0.331 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q171 E172 E178 K179 | Q171-A175 VanDerWaalsContact O-CB 3.29Å; Q171-A175 WeakPolarHBondContact O-CB 3.43Å; Q171-A175 PolarHBondContact O-N 3.07Å; E172-A175 PolarHBondContact O-N 2.95Å; A175-E178 PolarHBondContact O-N 3.25Å; A175-K179 VanDerWaalsContact O-CG 3.29Å; A175-K179 WeakPolarHBondContact O-CG 3.34Å; A175-K179 PolarHBondContact O-N 2.99Å |
| 176 | Q | 89.6 | Confident | 90.6 | Very high | 111 Ų | 111 | 105.6 Ų | 105.6 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 173.4 | -75.8 | -179.2 | 7.5 | 0 | 0 | 111.3 | E172 W173 E174 E178 K179 V180 | E172-Q176 WeakPolarHBondContact O-CB 3.49Å; E172-Q176 VanDerWaalsContact O-CG 3.27Å; E172-Q176 WeakPolarHBondContact O-CG 3.28Å; E172-Q176 PolarHBondContact O-N 3.05Å; W173-Q176 PolarHBondContact O-N 3.39Å; E174-Q176 PolarHBondContact O-N 3.36Å; Q176-E178 VanDerWaalsContact C-N 3.32Å; Q176-E178 PolarHBondContact O-N 2.86Å; Q176-K179 PolarHBondContact O-N 3.1Å; Q176-V180 WeakPolarHBondContact O-CG2 3.38Å; Q176-V180 PolarHBondContact O-N 3.04Å |
| 177 | R | 88.8 | Confident | 90.2 | Very high | 95 Ų | 95 | 99.5 Ų | 99.5 | 36% | 0.358 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 175.1 | -74 | -177.1 | 70.6 | -164.9 | 8.1 | 111.9 | W173 E174 V180 K181 | W173-R177 WeakPolarHBondContact O-CB 3.38Å; W173-R177 VanDerWaalsContact O-CG 3.28Å; W173-R177 WeakPolarHBondContact O-CG 3.27Å; W173-R177 PolarHBondContact O-N 3.18Å; E174-R177 WeakPolarHBondContact O-CB 3.26Å; E174-R177 PolarHBondContact O-N 3.17Å; R177-V180 PolarHBondContact O-N 3.04Å; R177-K181 WeakPolarHBondContact O-CB 3.44Å; R177-K181 VanDerWaalsContact O-CG 3.25Å; R177-K181 WeakPolarHBondContact O-CG 3.4Å; R177-K181 PolarHBondContact O-N 3.05Å |
| 178 | E | 89.9 | Confident | 90 | Very high | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.57 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65.6 | -44.4 | 178.8 | -170.8 | 172.2 | -151.9 | 0 | 0 | 111.4 | E174 A175 Q176 V180 K181 D182 | E174-E178 WeakPolarHBondContact O-CB 3.42Å; E174-E178 PolarHBondContact O-N 3.03Å; A175-E178 PolarHBondContact O-N 3.25Å; Q176-E178 VanDerWaalsContact C-N 3.32Å; Q176-E178 PolarHBondContact O-N 2.86Å; E178-V180 PolarHBondContact O-N 3.47Å; E178-K181 WeakPolarHBondContact O-CB 3.29Å; E178-K181 PolarHBondContact O-N 3.45Å; E178-K181 VanDerWaalsContact O-N 3.12Å; E178-D182 PolarHBondContact O-N 2.91Å |
| 179 | K | 90.9 | Very high | 89.7 | Confident | 151 Ų | 151 | 92 Ų | 92 | 66% | 0.657 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -54.8 | -49.7 | 173.6 | -74.9 | 173.3 | -177.2 | 178.7 | 0 | 112.1 | A175 Q176 K181 D182 E183 | A175-K179 VanDerWaalsContact O-CG 3.29Å; A175-K179 WeakPolarHBondContact O-CG 3.34Å; A175-K179 PolarHBondContact O-N 2.99Å; Q176-K179 PolarHBondContact O-N 3.1Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 3.27Å; K179-D182 PolarHBondContact O-N 3.45Å; K179-E183 PolarHBondContact O-N 3.01Å |
| 180 | V | 88.4 | Confident | 89.5 | Confident | 47 Ų | 47 | 87.9 Ų | 87.9 | 29% | 0.285 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.9 | -31.9 | 179.5 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | Q176 R177 E178 K205 Y251 | Q176-V180 WeakPolarHBondContact O-CG2 3.38Å; Q176-V180 PolarHBondContact O-N 3.04Å; R177-V180 PolarHBondContact O-N 3.04Å; E178-V180 PolarHBondContact O-N 3.47Å; V180-K205 WeakPolarHBondContact O-CB 3.46Å; V180-K205 WeakPolarHBondContact O-CD 3.5Å; V180-Y251 HydrophobicContact CB-CD2 4.43Å; V180-Y251 HydrophobicContact CB-CE2 3.95Å; V180-Y251 HydrophobicContact CG1-CD2 3.84Å; V180-Y251 HydrophobicContact CG1-CE2 3.6Å |
| 181 | K | 89.6 | Confident | 89.2 | Confident | 69 Ų | 69 | 79.8 Ų | 79.8 | 30% | 0.3 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.1 | -35.3 | 174.2 | -78.2 | 175.3 | -179.6 | -176.4 | 0 | 112.3 | R177 E178 K179 K205 G206 Y251 | R177-K181 WeakPolarHBondContact O-CB 3.44Å; R177-K181 VanDerWaalsContact O-CG 3.25Å; R177-K181 WeakPolarHBondContact O-CG 3.4Å; R177-K181 PolarHBondContact O-N 3.05Å; E178-K181 WeakPolarHBondContact O-CB 3.29Å; E178-K181 PolarHBondContact O-N 3.45Å; E178-K181 VanDerWaalsContact O-N 3.12Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 3.27Å; K181-K205 PolarHBondContact O-N 3.43Å; K181-G206 PolarHBondContact O-N 2.93Å; K181-Y251 HydrophobicContact CG-CD1 4.15Å; K181-Y251 HydrophobicContact CG-CD2 3.85Å; K181-Y251 HydrophobicContact CG-CE2 4.33Å; K181-Y251 HydrophobicContact CG-CG 3.76Å |
| 182 | D | 89.9 | Confident | 88.7 | Confident | 77 Ų | 77 | 77.2 Ų | 77.2 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -79.7 | -17.9 | -177.4 | -96.6 | -11 | 0 | 0 | 0 | 114.3 | E178 K179 E184 R204 | E178-D182 PolarHBondContact O-N 2.91Å; K179-D182 PolarHBondContact O-N 3.45Å; D182-E184 PolarHBondContact O-N 2.92Å; D182-R204 IonicContact OD1-CZ 3.85Å; D182-R204 IonicContact OD1-NE 3.67Å; D182-R204 IonicContact OD1-NH1 2.77Å; D182-R204 PolarHBondContact OD1-NH1 2.85Å; D182-R204 IonicContact OD2-NH1 3.31Å |
| 183 | E | 89.3 | Confident | 87.8 | Confident | 83 Ų | 83 | 74.7 Ų | 74.7 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -51 | 125.7 | 170.5 | -77.6 | 170.3 | -161.2 | 0 | 0 | 111.5 | K179 R204 K205 | K179-E183 PolarHBondContact O-N 3.01Å; E183-R204 WeakPolarHBondContact O-CA 3.41Å; E183-K205 HydrophobicContact CB-CD 3.87Å; E183-K205 PolarHBondContact O-N 3.47Å; E183-K205 IonicContact OE2-NZ 3.73Å; E183-K205 PolarHBondContact OE2-NZ 2.96Å |
| 184 | E | 87.8 | Confident | 86.7 | Confident | 114 Ų | 114 | 69.7 Ų | 69.7 | 53% | 0.533 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 138.4 | 177.1 | -62.6 | -168.2 | 160.8 | 0 | 0 | 110.9 | D182 R202 R204 | D182-E184 PolarHBondContact O-N 2.92Å; E184-R202 IonicContact OE2-CZ 3.79Å; E184-R202 IonicContact OE2-NE 2.66Å; E184-R202 IonicContact OE2-NH2 3.22Å; E184-R202 PolarHBondContact OE2-NH2 3.38Å; E184-R204 HydrophobicContact CG-CG 4.34Å |
| 185 | M | 84 | Confident | 85.8 | Confident | 28 Ų | 28 | 67 Ų | 67 | 14% | 0.138 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 136.8 | 178.7 | -178.9 | 172.4 | 62.5 | 0 | 0 | 109.8 | V187 V203 K205 F250 F268 | M185-V187 HydrophobicContact CE-CG2 3.78Å; M185-V187 HydrophobicContact CG-CG2 4.37Å; M185-V203 PolarHBondContact N-O 3.23Å; M185-V203 PolarHBondContact O-N 3.23Å; M185-K205 HydrophobicContact CB-CG 4.28Å; M185-F250 HydrophobicContact CE-CB 3.82Å; M185-F250 HydrophobicContact CE-CD1 3.92Å; M185-F250 HydrophobicContact CE-CG 3.87Å; M185-F268 HydrophobicContact CE-CE1 4.26Å; M185-F268 HydrophobicContact SD-CD1 4.03Å; M185-F268 HydrophobicContact SD-CE1 3.66Å |
| 186 | E | 85.6 | Confident | 85 | Confident | 124 Ų | 124 | 67 Ų | 67 | 58% | 0.579 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 114.4 | 172.8 | -50 | -151.7 | 143.9 | 0 | 0 | 109.4 | R202 | E186-R202 HydrophobicContact CG-CG 4.07Å; E186-R202 WeakPolarHBondContact OE1-CD 3.29Å; E186-R202 IonicContact OE1-NE 3.23Å |
| 187 | V | 85.1 | Confident | 84.6 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 114.4 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | M185 V201 V203 F212 F237 F250 | M185-V187 HydrophobicContact CE-CG2 3.78Å; M185-V187 HydrophobicContact CG-CG2 4.37Å; V187-V201 PolarHBondContact N-O 2.66Å; V187-V201 PolarHBondContact O-N 3.22Å; V187-V203 HydrophobicContact CB-CG2 4.45Å; V187-V203 HydrophobicContact CG2-CG2 3.66Å; V187-F212 HydrophobicContact CB-CD2 4.36Å; V187-F212 HydrophobicContact CB-CE2 3.81Å; V187-F212 HydrophobicContact CB-CZ 4.42Å; V187-F212 HydrophobicContact CG1-CD2 4.48Å; V187-F212 HydrophobicContact CG1-CE2 3.71Å; V187-F212 HydrophobicContact CG1-CZ 3.81Å; V187-F237 HydrophobicContact CG1-CZ 4.23Å; V187-F250 HydrophobicContact CG2-CE1 4.41Å |
| 188 | T | 86.8 | Confident | 84.4 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 121.4 | 170.4 | -55.9 | 0 | 0 | 0 | 0 | 109.2 | T200 A289 G290 | T188-T200 HydrophobicContact CG2-CG2 4.13Å; T188-A289 HydrophobicContact CG2-CB 3.85Å; T188-G290 PolarHBondContact O-N 3.36Å |
| 189 | F | 88.8 | Confident | 84.1 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 160.3 | 174.8 | 71.7 | -85.8 | 0 | 0 | 0 | 112.1 | R198 R199 V201 F212 A216 L220 F237 G290 V292 | F189-R198 CarbonylContact O-C 3.51Å; F189-R198 WeakPolarHBondContact O-CA 3.25Å; F189-R199 HydrophobicContact CE1-CB 3.99Å; F189-R199 HydrophobicContact CE2-CB 4.04Å; F189-R199 HydrophobicContact CZ-CB 3.66Å; F189-R199 HydrophobicContact CZ-CG 4.47Å; F189-R199 PolarHBondContact N-O 3.22Å; F189-R199 PolarHBondContact O-N 3.29Å; F189-V201 HydrophobicContact CE1-CB 3.97Å; F189-V201 HydrophobicContact CE1-CG2 3.54Å; F189-V201 HydrophobicContact CZ-CG2 4.19Å; F189-F212 HydrophobicContact CB-CZ 3.96Å; F189-F212 AromaticContact CD1-CE2 3.77Å; F189-F212 HydrophobicContact CD1-CE2 3.77Å; F189-F212 AromaticContact CD1-CZ 3.49Å; F189-F212 HydrophobicContact CD1-CZ 3.49Å; F189-F212 VanDerWaalsContact CD1-CZ 3.49Å; F189-F212 HydrophobicContact CE1-CE2 4.2Å; F189-F212 HydrophobicContact CE1-CZ 4.17Å; F189-F212 AromaticContact CG-CZ 3.81Å; F189-F212 HydrophobicContact CG-CZ 3.81Å; F189-A216 HydrophobicContact CE1-CB 3.79Å; F189-A216 HydrophobicContact CE2-CB 3.86Å; F189-A216 HydrophobicContact CZ-CB 3.4Å; F189-L220 HydrophobicContact CE2-CD1 4.06Å; F189-L220 HydrophobicContact CE2-CD2 4.46Å; F189-L220 HydrophobicContact CE2-CG 4.35Å; F189-F237 HydrophobicContact CB-CE2 4.26Å; F189-G290 CarbonylContact C-O 3.42Å; F189-G290 VanDerWaalsContact C-O 3.31Å; F189-G290 WeakPolarHBondContact CA-O 3.37Å; F189-G290 WeakPolarHBondContact CB-O 3.48Å; F189-V292 HydrophobicContact CB-CG2 4.09Å; F189-V292 HydrophobicContact CD2-CB 4.19Å; F189-V292 HydrophobicContact CD2-CG2 3.52Å; F189-V292 HydrophobicContact CE2-CG2 4.27Å; F189-V292 HydrophobicContact CG-CG2 4Å |
| 190 | S | 88.1 | Confident | 84 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 7% | 0.07 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.6 | 174.4 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | G196 H197 G290 K291 V292 | S190-G196 WeakPolarHBondContact OG-CA 3.31Å; S190-H197 CarbonylContact C-O 3.6Å; S190-H197 VanDerWaalsContact CA-O 3.28Å; S190-H197 WeakPolarHBondContact CA-O 3.38Å; S190-H197 PolarHBondContact OG-N 3.22Å; S190-G290 PolarHBondContact N-O 2.73Å; S190-K291 CarbonylContact O-C 3.53Å; S190-K291 WeakPolarHBondContact O-CA 3.42Å; S190-V292 PolarHBondContact O-N 2.95Å |
| 191 | Y | 88.6 | Confident | 84 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 138.6 | 164.9 | 179 | -114.7 | 0 | 0 | 0 | 109 | D193 H197 L220 F224 L227 V292 | Y191-D193 HydrophobicContact CD1-CB 4.43Å; Y191-D193 HydrophobicContact CE1-CB 3.72Å; Y191-H197 PolarHBondContact N-O 3.22Å; Y191-H197 PolarHBondContact O-N 2.76Å; Y191-L220 HydrophobicContact CD2-CD1 4.01Å; Y191-L220 HydrophobicContact CG-CD1 4Å; Y191-L220 HydrophobicContact CG-CD2 4.35Å; Y191-F224 HydrophobicContact CD1-CD2 4.1Å; Y191-F224 HydrophobicContact CD1-CE1 4.27Å; Y191-F224 AromaticContact CD1-CE2 3.84Å; Y191-F224 HydrophobicContact CD1-CE2 3.84Å; Y191-F224 HydrophobicContact CD1-CG 4.45Å; Y191-F224 AromaticContact CD1-CZ 3.95Å; Y191-F224 HydrophobicContact CD1-CZ 3.95Å; Y191-F224 HydrophobicContact CE1-CD1 4.12Å; Y191-F224 HydrophobicContact CE1-CD2 4.23Å; Y191-F224 HydrophobicContact CE1-CE1 4.22Å; Y191-F224 HydrophobicContact CE1-CE2 4.34Å; Y191-F224 HydrophobicContact CE1-CG 4.14Å; Y191-F224 HydrophobicContact CE1-CZ 4.35Å; Y191-L227 HydrophobicContact CD1-CD1 4.4Å; Y191-L227 HydrophobicContact CD2-CD1 4.21Å; Y191-L227 HydrophobicContact CE1-CD1 4.04Å; Y191-L227 HydrophobicContact CE2-CD1 3.84Å; Y191-L227 HydrophobicContact CE2-CD2 3.94Å; Y191-L227 HydrophobicContact CE2-CG 4.32Å; Y191-L227 HydrophobicContact CG-CD1 4.49Å; Y191-V292 WeakPolarHBondContact CA-O 3.46Å; Y191-V292 HydrophobicContact CD2-CG1 4.36Å; Y191-V292 WeakPolarHBondContact CD2-O 3.49Å |
| 192 | W | 82.1 | Confident | 84 | Confident | 73 Ų | 73 | 69.5 Ų | 69.5 | 28% | 0.277 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 107.2 | -175.5 | -172.1 | -88.5 | 0 | 0 | 0 | 110.9 | V292 V293 W297 | W192-V292 PolarHBondContact N-O 3.26Å; W192-V293 HydrophobicContact CB-CG2 3.94Å; W192-W297 AromaticContact CD1-CE2 3.9Å; W192-W297 AromaticContact CD1-CH2 3.35Å; W192-W297 AromaticContact CD1-CZ2 3.35Å; W192-W297 AromaticContact CD1-CZ3 3.92Å; W192-W297 AromaticContact NE1-CH2 3.22Å; W192-W297 AromaticContact NE1-CZ2 3.17Å |
| 193 | D | 76.6 | Confident | 84.1 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 32% | 0.316 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -119 | 6 | 174.4 | 57.4 | 3.5 | 0 | 0 | 0 | 112.1 | Y191 S195 H197 F224 | Y191-D193 HydrophobicContact CD1-CB 4.43Å; Y191-D193 HydrophobicContact CE1-CB 3.72Å; D193-S195 PolarHBondContact OD1-N 3.2Å; D193-H197 IonicContact OD1-CE1 3.2Å; D193-H197 IonicContact OD1-ND1 3.94Å; D193-H197 IonicContact OD2-CE1 2.76Å; D193-H197 IonicContact OD2-ND1 3.8Å; D193-F224 VanDerWaalsContact OD2-CE1 3.27Å; D193-F224 WeakPolarHBondContact OD2-CE1 3.27Å |
| 194 | G | 68.9 | Low | 84.2 | Confident | 60 Ų | 60 | 67.1 Ų | 67.1 | 62% | 0.619 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 116.2 | -20.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 195 | S | 71.4 | Confident | 84.3 | Confident | 69 Ų | 69 | 62.7 Ų | 62.7 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -122.2 | 139.8 | 167.7 | -174.4 | 0 | 0 | 0 | 0 | 110 | D193 H197 | D193-S195 PolarHBondContact OD1-N 3.2Å; S195-H197 PolarHBondContact O-N 2.85Å; S195-H197 PolarHBondContact O-ND1 2.85Å |
| 196 | G | 75 | Confident | 84.6 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 103.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S190 R198 | S190-G196 WeakPolarHBondContact OG-CA 3.31Å; G196-R198 PolarHBondContact O-N 3.23Å |
| 197 | H | 81.7 | Confident | 84.9 | Confident | 64 Ų | 64 | 58 Ų | 58 | 30% | 0.296 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 92.3 | 177.7 | -61.4 | 93 | 0 | 0 | 0 | 111.5 | S190 Y191 D193 S195 F224 | S190-H197 CarbonylContact C-O 3.6Å; S190-H197 VanDerWaalsContact CA-O 3.28Å; S190-H197 WeakPolarHBondContact CA-O 3.38Å; S190-H197 PolarHBondContact OG-N 3.22Å; Y191-H197 PolarHBondContact N-O 3.22Å; Y191-H197 PolarHBondContact O-N 2.76Å; D193-H197 IonicContact OD1-CE1 3.2Å; D193-H197 IonicContact OD1-ND1 3.94Å; D193-H197 IonicContact OD2-CE1 2.76Å; D193-H197 IonicContact OD2-ND1 3.8Å; S195-H197 PolarHBondContact O-N 2.85Å; S195-H197 PolarHBondContact O-ND1 2.85Å; H197-F224 HydrophobicContact CB-CZ 4.28Å; H197-F224 AromaticContact CD2-CZ 3.72Å; H197-F224 AromaticContact CE1-CE1 3.72Å; H197-F224 AromaticContact CE1-CZ 3.49Å; H197-F224 VanDerWaalsContact CE1-CZ 3.49Å; H197-F224 WeakPolarHBondContact CE1-CZ 3.28Å; H197-F224 AromaticContact CG-CZ 3.59Å; H197-F224 AromaticContact ND1-CZ 3.47Å; H197-F224 WeakPolarHBondContact ND1-CZ 3.35Å; H197-F224 AromaticContact NE2-CZ 3.67Å |
| 198 | R | 84.1 | Confident | 85.3 | Confident | 189 Ų | 189 | 59 Ų | 59 | 71% | 0.713 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 131.5 | 178.9 | -67.1 | -173.4 | -178.2 | -164.9 | 1.6 | 111.8 | F189 G196 | F189-R198 CarbonylContact O-C 3.51Å; F189-R198 WeakPolarHBondContact O-CA 3.25Å; G196-R198 PolarHBondContact O-N 3.23Å |
| 199 | R | 84.7 | Confident | 85.5 | Confident | 122 Ų | 122 | 56.1 Ų | 56.1 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 152.6 | 176 | -67 | -64.5 | -168.8 | -177.6 | 0.1 | 109.3 | F189 L220 D223 | F189-R199 HydrophobicContact CE1-CB 3.99Å; F189-R199 HydrophobicContact CE2-CB 4.04Å; F189-R199 HydrophobicContact CZ-CB 3.66Å; F189-R199 HydrophobicContact CZ-CG 4.47Å; F189-R199 PolarHBondContact N-O 3.22Å; F189-R199 PolarHBondContact O-N 3.29Å; R199-L220 HydrophobicContact CG-CD2 4.36Å; R199-D223 IonicContact CZ-OD2 3.6Å; R199-D223 IonicContact NE-OD2 3.3Å; R199-D223 IonicContact NH2-OD1 3.87Å; R199-D223 IonicContact NH2-OD2 2.67Å; R199-D223 PolarHBondContact NH2-OD2 2.92Å |
| 200 | T | 87.6 | Confident | 85.7 | Confident | 96 Ų | 96 | 59.8 Ų | 59.8 | 59% | 0.589 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.4 | 174.5 | 52 | 0 | 0 | 0 | 0 | 108.9 | T188 | T188-T200 HydrophobicContact CG2-CG2 4.13Å |
| 201 | V | 88.6 | Confident | 86 | Confident | 27 Ų | 27 | 63.9 Ų | 63.9 | 16% | 0.164 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.8 | 174.7 | 166.8 | 0 | 0 | 0 | 0 | 109.6 | V187 F189 V203 F212 K215 | V187-V201 PolarHBondContact N-O 2.66Å; V187-V201 PolarHBondContact O-N 3.22Å; F189-V201 HydrophobicContact CE1-CB 3.97Å; F189-V201 HydrophobicContact CE1-CG2 3.54Å; F189-V201 HydrophobicContact CZ-CG2 4.19Å; V201-V203 HydrophobicContact CG1-CG1 3.96Å; V201-F212 HydrophobicContact CB-CE2 4.32Å; V201-F212 HydrophobicContact CG1-CD2 4.44Å; V201-K215 HydrophobicContact CG1-CB 3.99Å; V201-K215 HydrophobicContact CG1-CD 4.32Å |
| 202 | R | 90.5 | Very high | 86.2 | Confident | 149 Ų | 149 | 63.7 Ų | 63.7 | 56% | 0.562 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 123 | 175.1 | -64.1 | -179.3 | 61.5 | 162.4 | -2.4 | 110.9 | E184 E186 K215 | E184-R202 IonicContact OE2-CZ 3.79Å; E184-R202 IonicContact OE2-NE 2.66Å; E184-R202 IonicContact OE2-NH2 3.22Å; E184-R202 PolarHBondContact OE2-NH2 3.38Å; E186-R202 HydrophobicContact CG-CG 4.07Å; E186-R202 WeakPolarHBondContact OE1-CD 3.29Å; E186-R202 IonicContact OE1-NE 3.23Å; R202-K215 PolarHBondContact O-NZ 3.07Å |
| 203 | V | 91 | Very high | 86.6 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.4 | 178.2 | -68.2 | 0 | 0 | 0 | 0 | 111 | M185 V187 V201 F212 K215 F250 | M185-V203 PolarHBondContact N-O 3.23Å; M185-V203 PolarHBondContact O-N 3.23Å; V187-V203 HydrophobicContact CB-CG2 4.45Å; V187-V203 HydrophobicContact CG2-CG2 3.66Å; V201-V203 HydrophobicContact CG1-CG1 3.96Å; V203-F212 HydrophobicContact CG1-CB 4.15Å; V203-F212 HydrophobicContact CG1-CD2 3.88Å; V203-F212 HydrophobicContact CG2-CD2 4.36Å; V203-K215 HydrophobicContact CG1-CD 4.04Å; V203-F250 HydrophobicContact CG2-CD2 4.39Å; V203-F250 HydrophobicContact CG2-CE2 4.13Å |
| 204 | R | 91.9 | Very high | 87.3 | Confident | 109 Ų | 109 | 63.3 Ų | 63.3 | 41% | 0.411 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 150.7 | 171.9 | -62.4 | -176.9 | 179.8 | -171.8 | 0.5 | 110.2 | D182 E183 E184 G206 N207 | D182-R204 IonicContact OD1-CZ 3.85Å; D182-R204 IonicContact OD1-NE 3.67Å; D182-R204 IonicContact OD1-NH1 2.77Å; D182-R204 PolarHBondContact OD1-NH1 2.85Å; D182-R204 IonicContact OD2-NH1 3.31Å; E183-R204 WeakPolarHBondContact O-CA 3.41Å; E184-R204 HydrophobicContact CG-CG 4.34Å; R204-G206 PolarHBondContact O-N 3.39Å; R204-N207 PolarHBondContact N-ND2 3.44Å; R204-N207 VanDerWaalsContact O-CB 3.32Å; R204-N207 WeakPolarHBondContact O-CB 3.48Å; R204-N207 PolarHBondContact O-N 3.41Å |
| 205 | K | 89.4 | Confident | 88.4 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -31.8 | 176.6 | -71.3 | 174.5 | 176.1 | 178.1 | 0 | 112.4 | V180 K181 E183 M185 N207 F250 Y251 I254 | V180-K205 WeakPolarHBondContact O-CB 3.46Å; V180-K205 WeakPolarHBondContact O-CD 3.5Å; K181-K205 PolarHBondContact O-N 3.43Å; E183-K205 HydrophobicContact CB-CD 3.87Å; E183-K205 PolarHBondContact O-N 3.47Å; E183-K205 IonicContact OE2-NZ 3.73Å; E183-K205 PolarHBondContact OE2-NZ 2.96Å; M185-K205 HydrophobicContact CB-CG 4.28Å; K205-N207 VanDerWaalsContact C-N 3.26Å; K205-N207 PolarHBondContact O-N 3.43Å; K205-F250 CarbonylContact O-C 3.56Å; K205-F250 WeakPolarHBondContact O-CB 3.47Å; K205-F250 PolarHBondContact O-N 3.29Å; K205-Y251 WeakPolarHBondContact O-CB 3.32Å; K205-Y251 PolarHBondContact O-N 3.48Å; K205-I254 HydrophobicContact CB-CD1 3.97Å; K205-I254 HydrophobicContact CD-CD1 3.42Å; K205-I254 VanDerWaalsContact CD-CD1 3.42Å; K205-I254 HydrophobicContact CG-CD1 3.63Å |
| 206 | G | 89.6 | Confident | 89.2 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 24% | 0.237 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -10.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | K181 R204 T249 | K181-G206 PolarHBondContact O-N 2.93Å; R204-G206 PolarHBondContact O-N 3.39Å; G206-T249 WeakPolarHBondContact O-CG2 3.49Å |
| 207 | N | 92.5 | Very high | 89.8 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -71.6 | 147 | 179.8 | -69.7 | -0.3 | 0 | 0 | 0 | 111 | R204 K205 Q211 T249 F250 | R204-N207 PolarHBondContact N-ND2 3.44Å; R204-N207 VanDerWaalsContact O-CB 3.32Å; R204-N207 WeakPolarHBondContact O-CB 3.48Å; R204-N207 PolarHBondContact O-N 3.41Å; K205-N207 VanDerWaalsContact C-N 3.26Å; K205-N207 PolarHBondContact O-N 3.43Å; N207-Q211 HydrophobicContact CB-CB 4.42Å; N207-T249 WeakPolarHBondContact O-CA 3.42Å; N207-F250 VanDerWaalsContact O-CD2 3.29Å; N207-F250 WeakPolarHBondContact O-CD2 3.47Å; N207-F250 PolarHBondContact O-N 3.37Å |
| 208 | T | 93.8 | Very high | 90.1 | Very high | 30 Ų | 30 | 62.2 Ų | 62.2 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 155.9 | 172.8 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | Q210 Q211 F212 H248 T249 | T208-Q210 PolarHBondContact O-N 3.17Å; T208-Q211 PolarHBondContact O-N 3.44Å; T208-Q211 VanDerWaalsContact O-N 3.07Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.15Å; T208-Q211 PolarHBondContact OG1-N 3.21Å; T208-F212 PolarHBondContact O-N 3.42Å; T208-F212 VanDerWaalsContact O-N 3.12Å; T208-H248 WeakPolarHBondContact CA-O 3.13Å; T208-T249 HydrophobicContact CG2-CG2 4.03Å |
| 209 | V | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.4 | -36.2 | 173.3 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | Q211 F212 L213 F237 L244 H248 F250 F253 | V209-Q211 PolarHBondContact O-N 2.74Å; V209-F212 WeakPolarHBondContact O-CB 3.47Å; V209-F212 PolarHBondContact O-N 3.3Å; V209-L213 HydrophobicContact CG1-CD1 4.15Å; V209-L213 HydrophobicContact CG1-CG 4.3Å; V209-L213 WeakPolarHBondContact O-CG 3.25Å; V209-L213 PolarHBondContact O-N 3.44Å; V209-F237 HydrophobicContact CG1-CB 3.74Å; V209-F237 HydrophobicContact CG1-CD1 4.12Å; V209-F237 HydrophobicContact CG1-CG 4.24Å; V209-L244 HydrophobicContact CG2-CB 4.35Å; V209-H248 PolarHBondContact N-O 2.8Å; V209-F250 HydrophobicContact CG2-CE1 4.47Å; V209-F250 HydrophobicContact CG2-CZ 4.31Å; V209-F253 HydrophobicContact CG2-CE2 3.9Å |
| 210 | Q | 92.9 | Very high | 90.2 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 175.3 | -165.2 | -173.3 | 0.1 | 0 | 0 | 113 | T208 F212 L213 K214 V232 E233 H246 | T208-Q210 PolarHBondContact O-N 3.17Å; Q210-F212 VanDerWaalsContact C-N 3.31Å; Q210-F212 PolarHBondContact O-N 2.85Å; Q210-L213 PolarHBondContact O-N 2.93Å; Q210-K214 PolarHBondContact O-N 3.26Å; Q210-V232 HydrophobicContact CG-CG1 3.69Å; Q210-E233 PolarHBondContact NE2-OE1 3.48Å; Q210-H246 HydrophobicContact CB-CB 4.18Å; Q210-H246 PolarHBondContact N-O 3.03Å |
| 211 | Q | 92.9 | Very high | 90.1 | Very high | 96 Ų | 96 | 49.5 Ų | 49.5 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65 | -38 | 177.2 | -71.8 | 171.4 | -3.1 | 0 | 0 | 111.5 | N207 T208 V209 K214 K215 | N207-Q211 HydrophobicContact CB-CB 4.42Å; T208-Q211 PolarHBondContact O-N 3.44Å; T208-Q211 VanDerWaalsContact O-N 3.07Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.15Å; T208-Q211 PolarHBondContact OG1-N 3.21Å; V209-Q211 PolarHBondContact O-N 2.74Å; Q211-K214 PolarHBondContact O-N 2.78Å; Q211-K215 PolarHBondContact O-N 3.41Å; Q211-K215 VanDerWaalsContact O-N 3.14Å |
| 212 | F | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -49.4 | 171.1 | 161.1 | -99.4 | 0 | 0 | 0 | 111.6 | V187 F189 V201 V203 T208 V209 Q210 K214 K215 A216 F237 F250 V292 | V187-F212 HydrophobicContact CB-CD2 4.36Å; V187-F212 HydrophobicContact CB-CE2 3.81Å; V187-F212 HydrophobicContact CB-CZ 4.42Å; V187-F212 HydrophobicContact CG1-CD2 4.48Å; V187-F212 HydrophobicContact CG1-CE2 3.71Å; V187-F212 HydrophobicContact CG1-CZ 3.81Å; F189-F212 HydrophobicContact CB-CZ 3.96Å; F189-F212 AromaticContact CD1-CE2 3.77Å; F189-F212 HydrophobicContact CD1-CE2 3.77Å; F189-F212 AromaticContact CD1-CZ 3.49Å; F189-F212 HydrophobicContact CD1-CZ 3.49Å; F189-F212 VanDerWaalsContact CD1-CZ 3.49Å; F189-F212 HydrophobicContact CE1-CE2 4.2Å; F189-F212 HydrophobicContact CE1-CZ 4.17Å; F189-F212 AromaticContact CG-CZ 3.81Å; F189-F212 HydrophobicContact CG-CZ 3.81Å; V201-F212 HydrophobicContact CB-CE2 4.32Å; V201-F212 HydrophobicContact CG1-CD2 4.44Å; V203-F212 HydrophobicContact CG1-CB 4.15Å; V203-F212 HydrophobicContact CG1-CD2 3.88Å; V203-F212 HydrophobicContact CG2-CD2 4.36Å; T208-F212 PolarHBondContact O-N 3.42Å; T208-F212 VanDerWaalsContact O-N 3.12Å; V209-F212 WeakPolarHBondContact O-CB 3.47Å; V209-F212 PolarHBondContact O-N 3.3Å; Q210-F212 VanDerWaalsContact C-N 3.31Å; Q210-F212 PolarHBondContact O-N 2.85Å; F212-K214 VanDerWaalsContact C-N 3.26Å; F212-K214 PolarHBondContact O-N 2.99Å; F212-K215 PolarHBondContact O-N 3.2Å; F212-K215 VanDerWaalsContact O-N 3.1Å; F212-A216 WeakPolarHBondContact O-CB 3.45Å; F212-A216 PolarHBondContact O-N 2.9Å; F212-F237 HydrophobicContact CD1-CD2 4.46Å; F212-F237 AromaticContact CE1-CD2 3.6Å; F212-F237 HydrophobicContact CE1-CD2 3.6Å; F212-F237 AromaticContact CE1-CE2 3.61Å; F212-F237 HydrophobicContact CE1-CE2 3.61Å; F212-F237 HydrophobicContact CE1-CG 4.16Å; F212-F237 HydrophobicContact CE1-CZ 4.21Å; F212-F237 HydrophobicContact CZ-CD2 4.37Å; F212-F237 AromaticContact CZ-CE2 3.99Å; F212-F237 HydrophobicContact CZ-CE2 3.99Å; F212-F250 HydrophobicContact CB-CE2 3.65Å; F212-F250 HydrophobicContact CB-CZ 3.71Å; F212-F250 HydrophobicContact CD1-CZ 4.04Å; F212-F250 HydrophobicContact CD2-CZ 4.32Å; F212-F250 HydrophobicContact CG-CE2 4.18Å; F212-F250 AromaticContact CG-CZ 3.76Å; F212-F250 HydrophobicContact CG-CZ 3.76Å; F212-V292 HydrophobicContact CE1-CG2 4.45Å |
| 213 | L | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -35.8 | 177.9 | -74 | 175.4 | 0 | 0 | 0 | 112 | V209 Q210 A216 L217 V232 L235 F237 V292 | V209-L213 HydrophobicContact CG1-CD1 4.15Å; V209-L213 HydrophobicContact CG1-CG 4.3Å; V209-L213 WeakPolarHBondContact O-CG 3.25Å; V209-L213 PolarHBondContact O-N 3.44Å; Q210-L213 PolarHBondContact O-N 2.93Å; L213-A216 PolarHBondContact O-N 2.93Å; L213-L217 WeakPolarHBondContact O-CB 3.4Å; L213-L217 PolarHBondContact O-N 2.82Å; L213-V232 HydrophobicContact CB-CG1 3.73Å; L213-L235 HydrophobicContact CD1-CB 4.19Å; L213-L235 HydrophobicContact CD2-CB 4.2Å; L213-L235 HydrophobicContact CD2-CD1 4.5Å; L213-F237 HydrophobicContact CD1-CB 4.45Å; L213-F237 HydrophobicContact CD2-CB 4.13Å; L213-F237 HydrophobicContact CG-CB 4.49Å; L213-V292 HydrophobicContact CD2-CG1 3.95Å; L213-V292 HydrophobicContact CD2-CG2 4.02Å |
| 214 | K | 91.6 | Very high | 88.8 | Confident | 124 Ų | 124 | 55 Ų | 55 | 54% | 0.539 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 173.5 | -172.1 | 177.4 | 179.6 | 178.7 | 0 | 112.1 | Q210 Q211 F212 L217 Q218 V232 | Q210-K214 PolarHBondContact O-N 3.26Å; Q211-K214 PolarHBondContact O-N 2.78Å; F212-K214 VanDerWaalsContact C-N 3.26Å; F212-K214 PolarHBondContact O-N 2.99Å; K214-L217 PolarHBondContact O-N 3.14Å; K214-Q218 WeakPolarHBondContact O-CG 3.45Å; K214-Q218 PolarHBondContact O-N 3.29Å; K214-V232 HydrophobicContact CB-CG2 3.92Å; K214-V232 HydrophobicContact CG-CG2 4.17Å |
| 215 | K | 90.4 | Very high | 88 | Confident | 91 Ų | 91 | 56.4 Ų | 56.4 | 40% | 0.396 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.7 | -76 | -178.9 | 171.1 | -171.8 | 0 | 111.6 | V201 R202 V203 Q211 F212 Q218 G219 | V201-K215 HydrophobicContact CG1-CB 3.99Å; V201-K215 HydrophobicContact CG1-CD 4.32Å; R202-K215 PolarHBondContact O-NZ 3.07Å; V203-K215 HydrophobicContact CG1-CD 4.04Å; Q211-K215 PolarHBondContact O-N 3.41Å; Q211-K215 VanDerWaalsContact O-N 3.14Å; F212-K215 PolarHBondContact O-N 3.2Å; F212-K215 VanDerWaalsContact O-N 3.1Å; K215-Q218 PolarHBondContact O-N 3.29Å; K215-G219 PolarHBondContact O-N 3.21Å |
| 216 | A | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F189 F212 L213 Q218 G219 L220 | F189-A216 HydrophobicContact CE1-CB 3.79Å; F189-A216 HydrophobicContact CE2-CB 3.86Å; F189-A216 HydrophobicContact CZ-CB 3.4Å; F212-A216 WeakPolarHBondContact O-CB 3.45Å; F212-A216 PolarHBondContact O-N 2.9Å; L213-A216 PolarHBondContact O-N 2.93Å; A216-Q218 PolarHBondContact O-N 2.75Å; A216-G219 PolarHBondContact O-N 3.47Å; A216-G219 VanDerWaalsContact O-N 3.14Å; A216-L220 WeakPolarHBondContact O-CG 3.37Å; A216-L220 PolarHBondContact O-N 3.22Å |
| 217 | L | 88.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 177.9 | -178.7 | 65.7 | 0 | 0 | 0 | 112.1 | L213 K214 G219 L220 R221 L227 V232 L235 | L213-L217 WeakPolarHBondContact O-CB 3.4Å; L213-L217 PolarHBondContact O-N 2.82Å; K214-L217 PolarHBondContact O-N 3.14Å; L217-G219 VanDerWaalsContact C-N 3.28Å; L217-G219 PolarHBondContact O-N 3.1Å; L217-L220 PolarHBondContact O-N 3.21Å; L217-R221 HydrophobicContact CD1-CG 4.26Å; L217-R221 HydrophobicContact CG-CG 4.28Å; L217-R221 WeakPolarHBondContact O-CB 3.35Å; L217-R221 VanDerWaalsContact O-CG 3.22Å; L217-R221 WeakPolarHBondContact O-CG 3.05Å; L217-R221 PolarHBondContact O-N 3.19Å; L217-L227 HydrophobicContact CD1-CB 3.82Å; L217-L227 HydrophobicContact CD1-CD1 4.49Å; L217-L227 HydrophobicContact CD1-CD2 4.14Å; L217-L227 HydrophobicContact CD1-CG 4.39Å; L217-V232 HydrophobicContact CD2-CG2 4.04Å; L217-L235 HydrophobicContact CB-CD1 4.04Å; L217-L235 HydrophobicContact CD1-CD1 4.02Å; L217-L235 HydrophobicContact CD2-CD1 4.43Å; L217-L235 HydrophobicContact CG-CD1 4.38Å |
| 218 | Q | 87.6 | Confident | 86.2 | Confident | 115 Ų | 115 | 68 Ų | 68 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 175.1 | -75.6 | 175 | -7.5 | 0 | 0 | 112.6 | K214 K215 A216 | K214-Q218 WeakPolarHBondContact O-CG 3.45Å; K214-Q218 PolarHBondContact O-N 3.29Å; K215-Q218 PolarHBondContact O-N 3.29Å; A216-Q218 PolarHBondContact O-N 2.75Å |
| 219 | G | 85.9 | Confident | 85.5 | Confident | 40 Ų | 40 | 72.2 Ų | 72.2 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.3 | -47.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | K215 A216 L217 R221 | K215-G219 PolarHBondContact O-N 3.21Å; A216-G219 PolarHBondContact O-N 3.47Å; A216-G219 VanDerWaalsContact O-N 3.14Å; L217-G219 VanDerWaalsContact C-N 3.28Å; L217-G219 PolarHBondContact O-N 3.1Å; G219-R221 PolarHBondContact O-N 3.37Å |
| 220 | L | 85.8 | Confident | 85 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.5 | -27.1 | -176.4 | -66.3 | 171.1 | 0 | 0 | 0 | 114 | F189 Y191 R199 A216 L217 K222 D223 F224 L227 | F189-L220 HydrophobicContact CE2-CD1 4.06Å; F189-L220 HydrophobicContact CE2-CD2 4.46Å; F189-L220 HydrophobicContact CE2-CG 4.35Å; Y191-L220 HydrophobicContact CD2-CD1 4.01Å; Y191-L220 HydrophobicContact CG-CD1 4Å; Y191-L220 HydrophobicContact CG-CD2 4.35Å; R199-L220 HydrophobicContact CG-CD2 4.36Å; A216-L220 WeakPolarHBondContact O-CG 3.37Å; A216-L220 PolarHBondContact O-N 3.22Å; L217-L220 PolarHBondContact O-N 3.21Å; L220-K222 PolarHBondContact O-N 3.09Å; L220-D223 PolarHBondContact O-N 2.79Å; L220-F224 HydrophobicContact CB-CD2 4.27Å; L220-F224 HydrophobicContact CD2-CD2 4.23Å; L220-F224 HydrophobicContact CD2-CE2 3.96Å; L220-F224 WeakPolarHBondContact O-CD2 2.98Å; L220-F224 PolarHBondContact O-N 2.99Å; L220-L227 HydrophobicContact CB-CD1 3.58Å; L220-L227 HydrophobicContact CD1-CD1 3.92Å; L220-L227 HydrophobicContact CG-CD1 4.34Å |
| 221 | R | 84.8 | Confident | 84.6 | Confident | 100 Ų | 100 | 70.6 Ų | 70.6 | 38% | 0.377 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.2 | 178.5 | -88.6 | 176.2 | 176.2 | -169 | 0.8 | 114.3 | L217 G219 L227 | L217-R221 HydrophobicContact CD1-CG 4.26Å; L217-R221 HydrophobicContact CG-CG 4.28Å; L217-R221 WeakPolarHBondContact O-CB 3.35Å; L217-R221 VanDerWaalsContact O-CG 3.22Å; L217-R221 WeakPolarHBondContact O-CG 3.05Å; L217-R221 PolarHBondContact O-N 3.19Å; G219-R221 PolarHBondContact O-N 3.37Å; R221-L227 PolarHBondContact NE-O 2.89Å |
| 222 | K | 81.7 | Confident | 84.4 | Confident | 183 Ų | 183 | 67.1 Ų | 67.1 | 80% | 0.796 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -34.8 | 175.4 | -65.2 | -177.4 | 179.6 | -178.7 | 0 | 111.8 | L220 | L220-K222 PolarHBondContact O-N 3.09Š|
| 223 | D | 82.3 | Confident | 84.1 | Confident | 79 Ų | 79 | 72.1 Ų | 72.1 | 42% | 0.422 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -33.1 | -172.2 | -55.6 | -28.8 | 0 | 0 | 0 | 111.9 | R199 L220 | R199-D223 IonicContact CZ-OD2 3.6Å; R199-D223 IonicContact NE-OD2 3.3Å; R199-D223 IonicContact NH2-OD1 3.87Å; R199-D223 IonicContact NH2-OD2 2.67Å; R199-D223 PolarHBondContact NH2-OD2 2.92Å; L220-D223 PolarHBondContact O-N 2.79Å |
| 224 | F | 78.7 | Confident | 84 | Confident | 30 Ų | 30 | 75.9 Ų | 75.9 | 13% | 0.132 | 38% | 0.379 | C | S | . | . | trans | -118.7 | 117 | -174.8 | -55.7 | -81.7 | 0 | 0 | 0 | 111.9 | Y191 D193 H197 L220 E226 L227 | Y191-F224 HydrophobicContact CD1-CD2 4.1Å; Y191-F224 HydrophobicContact CD1-CE1 4.27Å; Y191-F224 AromaticContact CD1-CE2 3.84Å; Y191-F224 HydrophobicContact CD1-CE2 3.84Å; Y191-F224 HydrophobicContact CD1-CG 4.45Å; Y191-F224 AromaticContact CD1-CZ 3.95Å; Y191-F224 HydrophobicContact CD1-CZ 3.95Å; Y191-F224 HydrophobicContact CE1-CD1 4.12Å; Y191-F224 HydrophobicContact CE1-CD2 4.23Å; Y191-F224 HydrophobicContact CE1-CE1 4.22Å; Y191-F224 HydrophobicContact CE1-CE2 4.34Å; Y191-F224 HydrophobicContact CE1-CG 4.14Å; Y191-F224 HydrophobicContact CE1-CZ 4.35Å; D193-F224 VanDerWaalsContact OD2-CE1 3.27Å; D193-F224 WeakPolarHBondContact OD2-CE1 3.27Å; H197-F224 HydrophobicContact CB-CZ 4.28Å; H197-F224 AromaticContact CD2-CZ 3.72Å; H197-F224 AromaticContact CE1-CE1 3.72Å; H197-F224 AromaticContact CE1-CZ 3.49Å; H197-F224 VanDerWaalsContact CE1-CZ 3.49Å; H197-F224 WeakPolarHBondContact CE1-CZ 3.28Å; H197-F224 AromaticContact CG-CZ 3.59Å; H197-F224 AromaticContact ND1-CZ 3.47Å; H197-F224 WeakPolarHBondContact ND1-CZ 3.35Å; H197-F224 AromaticContact NE2-CZ 3.67Å; L220-F224 HydrophobicContact CB-CD2 4.27Å; L220-F224 HydrophobicContact CD2-CD2 4.23Å; L220-F224 HydrophobicContact CD2-CE2 3.96Å; L220-F224 WeakPolarHBondContact O-CD2 2.98Å; L220-F224 PolarHBondContact O-N 2.99Å; F224-E226 VanDerWaalsContact C-N 3.3Å; F224-E226 PolarHBondContact O-N 3.05Å; F224-L227 HydrophobicContact CB-CB 4.26Å; F224-L227 HydrophobicContact CB-CD1 3.9Å; F224-L227 HydrophobicContact CB-CG 4.06Å; F224-L227 HydrophobicContact CD2-CD1 4.05Å; F224-L227 HydrophobicContact CG-CD1 4.22Å; F224-L227 PolarHBondContact O-N 2.81Å | ||
| 225 | L | 76.1 | Confident | 83.9 | Confident | 139 Ų | 139 | 70 Ų | 70 | 73% | 0.728 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -68.3 | -30.6 | 176.2 | -71.1 | 97.5 | 0 | 0 | 0 | 112.5 | L227 R228 | L225-L227 PolarHBondContact O-N 2.88Å; L225-R228 WeakPolarHBondContact O-CB 3.45Å; L225-R228 PolarHBondContact O-N 3.08Å |
| 226 | E | 75.7 | Confident | 83.9 | Confident | 146 Ų | 146 | 66 Ų | 66 | 68% | 0.682 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.2 | -34.2 | 179.1 | -58.8 | -174.2 | 170.3 | 0 | 0 | 112.2 | F224 R228 | F224-E226 VanDerWaalsContact C-N 3.3Å; F224-E226 PolarHBondContact O-N 3.05Å; E226-R228 PolarHBondContact O-N 2.98Å |
| 227 | L | 79.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -77.6 | -5.4 | 177.8 | -68.5 | 177.3 | 0 | 0 | 0 | 113.6 | Y191 L217 L220 R221 F224 L225 A230 L235 L294 | Y191-L227 HydrophobicContact CD1-CD1 4.4Å; Y191-L227 HydrophobicContact CD2-CD1 4.21Å; Y191-L227 HydrophobicContact CE1-CD1 4.04Å; Y191-L227 HydrophobicContact CE2-CD1 3.84Å; Y191-L227 HydrophobicContact CE2-CD2 3.94Å; Y191-L227 HydrophobicContact CE2-CG 4.32Å; Y191-L227 HydrophobicContact CG-CD1 4.49Å; L217-L227 HydrophobicContact CD1-CB 3.82Å; L217-L227 HydrophobicContact CD1-CD1 4.49Å; L217-L227 HydrophobicContact CD1-CD2 4.14Å; L217-L227 HydrophobicContact CD1-CG 4.39Å; L220-L227 HydrophobicContact CB-CD1 3.58Å; L220-L227 HydrophobicContact CD1-CD1 3.92Å; L220-L227 HydrophobicContact CG-CD1 4.34Å; R221-L227 PolarHBondContact NE-O 2.89Å; F224-L227 HydrophobicContact CB-CB 4.26Å; F224-L227 HydrophobicContact CB-CD1 3.9Å; F224-L227 HydrophobicContact CB-CG 4.06Å; F224-L227 HydrophobicContact CD2-CD1 4.05Å; F224-L227 HydrophobicContact CG-CD1 4.22Å; F224-L227 PolarHBondContact O-N 2.81Å; L225-L227 PolarHBondContact O-N 2.88Å; L227-A230 HydrophobicContact CD2-CB 4.41Å; L227-L235 HydrophobicContact CD2-CD2 4.11Å; L227-L294 HydrophobicContact CD2-CD1 4.32Å; L227-L294 HydrophobicContact CD2-CD2 4.05Å; L227-L294 HydrophobicContact CD2-CG 4.29Å |
| 228 | R | 76.7 | Confident | 84.1 | Confident | 171 Ų | 171 | 65.7 Ų | 65.7 | 65% | 0.645 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.6 | -38.9 | 175.8 | -169.2 | 178.7 | -65.5 | -148.7 | 0.2 | 111.7 | L225 E226 | L225-R228 WeakPolarHBondContact O-CB 3.45Å; L225-R228 PolarHBondContact O-N 3.08Å; E226-R228 PolarHBondContact O-N 2.98Å |
| 229 | S | 79.4 | Confident | 84 | Confident | 119 Ų | 119 | 60.8 Ų | 60.8 | 83% | 0.832 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -84.7 | -28.6 | 179 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 230 | A | 82.2 | Confident | 83.9 | Confident | 7 Ų | 7 | 59.4 Ų | 59.4 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | trans | -68.6 | 137.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L227 L294 | L227-A230 HydrophobicContact CD2-CB 4.41Å; A230-L294 HydrophobicContact CB-CD2 3.97Å | ||
| 231 | G | 84.3 | Confident | 83.7 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 37% | 0.371 | 30% | 0.299 | S | S | . | . | trans | -88.1 | 167.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E233 Q234 | G231-E233 PolarHBondContact O-N 3.4Å; G231-Q234 PolarHBondContact O-N 3.5Å | ||
| 232 | V | 87.3 | Confident | 83.8 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -61.9 | -34.2 | 177.5 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | Q210 L213 K214 L217 Q234 L235 | Q210-V232 HydrophobicContact CG-CG1 3.69Å; L213-V232 HydrophobicContact CB-CG1 3.73Å; K214-V232 HydrophobicContact CB-CG2 3.92Å; K214-V232 HydrophobicContact CG-CG2 4.17Å; L217-V232 HydrophobicContact CD2-CG2 4.04Å; V232-Q234 PolarHBondContact O-N 2.64Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 3.19Å |
| 233 | E | 88.1 | Confident | 84.2 | Confident | 105 Ų | 105 | 48.2 Ų | 48.2 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -65.7 | -23.2 | -179.5 | -55.8 | -45.6 | 129.5 | 0 | 0 | 114.4 | Q210 G231 L235 H246 | Q210-E233 PolarHBondContact NE2-OE1 3.48Å; G231-E233 PolarHBondContact O-N 3.4Å; E233-L235 VanDerWaalsContact C-N 3.35Å; E233-H246 IonicContact OE2-ND1 3.41Å; E233-H246 PolarHBondContact OE2-ND1 2.7Å |
| 234 | Q | 89.6 | Confident | 84.6 | Confident | 79 Ų | 79 | 44.6 Ų | 44.6 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -85.9 | -11.3 | 177.2 | -166.5 | 171.6 | 3.1 | 0 | 0 | 112 | G231 V232 L294 R295 S296 | G231-Q234 PolarHBondContact O-N 3.5Å; V232-Q234 PolarHBondContact O-N 2.64Å; Q234-L294 HydrophobicContact CG-CD2 4.11Å; Q234-L294 CarbonylContact O-C 3.53Å; Q234-R295 HydrophobicContact CG-CB 4.25Å; Q234-R295 VanDerWaalsContact O-CB 3.3Å; Q234-R295 WeakPolarHBondContact O-CB 3.3Å; Q234-R295 PolarHBondContact O-N 3.43Å; Q234-S296 PolarHBondContact NE2-OG 3.21Å |
| 235 | L | 89.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 151.3 | 172.5 | -67.7 | 173.3 | 0 | 0 | 0 | 110.1 | L213 L217 L227 V232 E233 H246 V292 V293 L294 | L213-L235 HydrophobicContact CD1-CB 4.19Å; L213-L235 HydrophobicContact CD2-CB 4.2Å; L213-L235 HydrophobicContact CD2-CD1 4.5Å; L217-L235 HydrophobicContact CB-CD1 4.04Å; L217-L235 HydrophobicContact CD1-CD1 4.02Å; L217-L235 HydrophobicContact CD2-CD1 4.43Å; L217-L235 HydrophobicContact CG-CD1 4.38Å; L227-L235 HydrophobicContact CD2-CD2 4.11Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 3.19Å; E233-L235 VanDerWaalsContact C-N 3.35Å; L235-H246 PolarHBondContact O-CE1 3.39Å; L235-H246 PolarHBondContact O-NE2 3.19Å; L235-V292 HydrophobicContact CD1-CG1 4.36Å; L235-V292 HydrophobicContact CD2-CG1 3.94Å; L235-V293 CarbonylContact C-O 3.58Å; L235-L294 HydrophobicContact CD2-CD2 3.82Å; L235-L294 HydrophobicContact CD2-CG 4.27Å |
| 236 | M | 90.3 | Very high | 85.9 | Confident | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.034 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.4 | 170 | -64.3 | -171.2 | -57.5 | 0 | 0 | 108.6 | I238 I243 V292 V293 R295 Y298 | M236-I238 HydrophobicContact CB-CD1 4.27Å; M236-I243 HydrophobicContact SD-CG2 4.45Å; M236-V292 WeakPolarHBondContact O-CA 3.34Å; M236-V293 PolarHBondContact N-O 2.87Å; M236-V293 PolarHBondContact O-N 2.72Å; M236-R295 HydrophobicContact CE-CB 4.33Å; M236-R295 HydrophobicContact CG-CB 4.44Å; M236-R295 HydrophobicContact SD-CB 4.36Å; M236-R295 HydrophobicContact SD-CG 4.34Å; M236-Y298 HydrophobicContact CE-CD1 3.39Å; M236-Y298 HydrophobicContact CE-CD2 4.3Å; M236-Y298 HydrophobicContact CE-CE1 4.3Å; M236-Y298 HydrophobicContact CE-CG 3.37Å; M236-Y298 HydrophobicContact SD-CD1 4.42Å |
| 237 | F | 91.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.8 | 174.7 | -175.9 | -118 | 0 | 0 | 0 | 109.3 | V187 F189 V209 F212 L213 K239 L244 F250 F266 V292 | V187-F237 HydrophobicContact CG1-CZ 4.23Å; F189-F237 HydrophobicContact CB-CE2 4.26Å; V209-F237 HydrophobicContact CG1-CB 3.74Å; V209-F237 HydrophobicContact CG1-CD1 4.12Å; V209-F237 HydrophobicContact CG1-CG 4.24Å; F212-F237 HydrophobicContact CD1-CD2 4.46Å; F212-F237 AromaticContact CE1-CD2 3.6Å; F212-F237 HydrophobicContact CE1-CD2 3.6Å; F212-F237 AromaticContact CE1-CE2 3.61Å; F212-F237 HydrophobicContact CE1-CE2 3.61Å; F212-F237 HydrophobicContact CE1-CG 4.16Å; F212-F237 HydrophobicContact CE1-CZ 4.21Å; F212-F237 HydrophobicContact CZ-CD2 4.37Å; F212-F237 AromaticContact CZ-CE2 3.99Å; F212-F237 HydrophobicContact CZ-CE2 3.99Å; L213-F237 HydrophobicContact CD1-CB 4.45Å; L213-F237 HydrophobicContact CD2-CB 4.13Å; L213-F237 HydrophobicContact CG-CB 4.49Å; F237-K239 HydrophobicContact CE1-CB 4.14Å; F237-K239 HydrophobicContact CZ-CB 4.42Å; F237-L244 HydrophobicContact CD1-CB 4.1Å; F237-L244 HydrophobicContact CD1-CD1 3.69Å; F237-L244 HydrophobicContact CD1-CG 4.06Å; F237-L244 HydrophobicContact CE1-CD1 3.71Å; F237-L244 HydrophobicContact CE1-CG 4.46Å; F237-L244 PolarHBondContact O-N 2.88Å; F237-F250 HydrophobicContact CE1-CE1 4.35Å; F237-F266 HydrophobicContact CE1-CZ 4.27Å; F237-V292 HydrophobicContact CD2-CG2 3.91Å; F237-V292 HydrophobicContact CE2-CG2 4.48Å |
| 238 | I | 89.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.2 | 178.1 | -58.3 | 96.3 | 0 | 0 | 0 | 107.5 | M236 L242 I243 G290 K291 V293 W310 | M236-I238 HydrophobicContact CB-CD1 4.27Å; I238-L242 CarbonylContact C-O 3.57Å; I238-L242 WeakPolarHBondContact CA-O 2.89Å; I238-I243 HydrophobicContact CG1-CG1 3.95Å; I238-G290 CarbonylContact O-C 3.57Å; I238-G290 WeakPolarHBondContact O-CA 3.46Å; I238-K291 HydrophobicContact CB-CB 4.35Å; I238-K291 PolarHBondContact N-O 3.42Å; I238-K291 PolarHBondContact O-N 2.96Å; I238-V293 HydrophobicContact CD1-CB 3.81Å; I238-V293 HydrophobicContact CD1-CG2 3.69Å; I238-W310 HydrophobicContact CB-CD2 4.47Å; I238-W310 HydrophobicContact CD1-CE3 3.96Å; I238-W310 HydrophobicContact CD1-CH2 4.37Å; I238-W310 HydrophobicContact CD1-CZ3 3.8Å; I238-W310 HydrophobicContact CG1-CD2 4.04Å; I238-W310 HydrophobicContact CG1-CE3 3.74Å; I238-W310 HydrophobicContact CG1-CZ3 4.09Å; I238-W310 HydrophobicContact CG2-CD2 3.84Å; I238-W310 HydrophobicContact CG2-CE3 4.41Å; I238-W310 HydrophobicContact CG2-CG 3.9Å |
| 239 | K | 86.3 | Confident | 87.9 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.2 | 170.1 | -175.9 | 58.8 | 174.1 | 69.4 | 0 | 108.5 | F237 D241 L242 L244 L265 H288 | F237-K239 HydrophobicContact CE1-CB 4.14Å; F237-K239 HydrophobicContact CZ-CB 4.42Å; K239-D241 PolarHBondContact O-N 3.24Å; K239-L242 PolarHBondContact N-O 2.76Å; K239-L242 PolarHBondContact O-N 2.76Å; K239-L244 HydrophobicContact CB-CD1 4.35Å; K239-L265 HydrophobicContact CB-CD2 4.12Å; K239-L265 WeakPolarHBondContact CE-O 3.33Å; K239-L265 HydrophobicContact CG-CB 4.28Å; K239-L265 HydrophobicContact CG-CD2 4Å; K239-L265 WeakPolarHBondContact CG-O 3.46Å; K239-L265 PolarHBondContact NZ-O 2.99Å; K239-L265 WeakPolarHBondContact O-CD2 3.36Å; K239-H288 WeakPolarHBondContact CD-O 3.45Å; K239-H288 WeakPolarHBondContact CE-O 3.36Å; K239-H288 PolarHBondContact NZ-O 2.97Å |
| 240 | E | 83 | Confident | 88.3 | Confident | 11 Ų | 11 | 28.8 Ų | 28.8 | 5% | 0.051 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -99.7 | -170.4 | -62.3 | -53 | 132.3 | 0 | 0 | 112 | S262 L265 H288 | E240-S262 VanDerWaalsContact CB-OG 3.27Å; E240-S262 WeakPolarHBondContact CB-OG 3.46Å; E240-S262 WeakPolarHBondContact CG-OG 3.44Å; E240-S262 PolarHBondContact OE2-OG 2.75Å; E240-L265 HydrophobicContact CB-CD2 4.23Å; E240-L265 HydrophobicContact CG-CD2 4.27Å; E240-H288 WeakPolarHBondContact OE1-CA 3.41Å; E240-H288 WeakPolarHBondContact OE1-CB 3.32Å; E240-H288 PolarHBondContact OE1-N 2.71Å; E240-H288 IonicContact OE2-CD2 3.62Å; E240-H288 PolarHBondContact OE2-CD2 2.8Å; E240-H288 VanDerWaalsContact OE2-CD2 3.3Å; E240-H288 IonicContact OE2-CG 3.57Å |
| 241 | D | 82.5 | Confident | 88.5 | Confident | 19 Ų | 19 | 29.4 Ų | 29.4 | 10% | 0.102 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 5.4 | -179.6 | -67.7 | -39.7 | 0 | 0 | 0 | 112.3 | K239 R309 W310 E311 | K239-D241 PolarHBondContact O-N 3.24Å; D241-R309 HydrophobicContact CB-CG 4.45Å; D241-R309 VanDerWaalsContact CG-NE 3.32Å; D241-R309 WeakPolarHBondContact OD1-CD 3.33Å; D241-R309 IonicContact OD1-NE 3.52Å; D241-R309 PolarHBondContact OD1-NE 3.14Å; D241-R309 IonicContact OD2-CZ 3.57Å; D241-R309 IonicContact OD2-NE 3.6Å; D241-R309 PolarHBondContact OD2-NE 3.2Å; D241-R309 IonicContact OD2-NH2 2.91Å; D241-R309 PolarHBondContact OD2-NH2 3.43Å; D241-W310 CarbonylContact O-C 3.31Å; D241-W310 VanDerWaalsContact O-CA 3.25Å; D241-W310 WeakPolarHBondContact O-CA 3.22Å; D241-E311 PolarHBondContact O-N 2.86Å |
| 242 | L | 86.6 | Confident | 88.7 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.2 | -175.4 | -66.3 | 174.8 | 0 | 0 | 0 | 111.5 | I238 K239 L244 L265 E311 Y313 | I238-L242 CarbonylContact C-O 3.57Å; I238-L242 WeakPolarHBondContact CA-O 2.89Å; K239-L242 PolarHBondContact N-O 2.76Å; K239-L242 PolarHBondContact O-N 2.76Å; L242-L244 HydrophobicContact CB-CD2 4.29Å; L242-L244 PolarHBondContact O-N 3.12Å; L242-L265 HydrophobicContact CB-CD2 4.2Å; L242-L265 HydrophobicContact CD1-CD1 3.96Å; L242-L265 HydrophobicContact CD1-CD2 3.86Å; L242-L265 HydrophobicContact CD1-CG 4.18Å; L242-L265 HydrophobicContact CG-CD2 4.38Å; L242-E311 CarbonylContact C-O 3.58Å; L242-E311 WeakPolarHBondContact CA-O 3.35Å; L242-E311 HydrophobicContact CD2-CB 4.29Å; L242-Y313 HydrophobicContact CD1-CD2 4.04Å |
| 243 | I | 90.2 | Very high | 88.5 | Confident | 25 Ų | 25 | 29.3 Ų | 29.3 | 13% | 0.128 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 113.7 | 171.2 | -54.6 | 173.2 | 0 | 0 | 0 | 107.2 | M236 I238 Y298 W310 E311 Y313 | M236-I243 HydrophobicContact SD-CG2 4.45Å; I238-I243 HydrophobicContact CG1-CG1 3.95Å; I243-Y298 HydrophobicContact CD1-CE1 4.03Å; I243-Y298 HydrophobicContact CD1-CE2 4.12Å; I243-Y298 WeakPolarHBondContact CD1-OH 3.41Å; I243-W310 HydrophobicContact CD1-CB 4.02Å; I243-W310 HydrophobicContact CG1-CB 3.92Å; I243-E311 PolarHBondContact N-O 3.47Å; I243-Y313 WeakPolarHBondContact O-CB 3.36Å; I243-Y313 PolarHBondContact O-N 3.43Å |
| 244 | L | 90.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 129 | -178.4 | -57.8 | -167.1 | 0 | 0 | 0 | 110.9 | V209 F237 K239 L242 F253 L265 F266 Y313 | V209-L244 HydrophobicContact CG2-CB 4.35Å; F237-L244 HydrophobicContact CD1-CB 4.1Å; F237-L244 HydrophobicContact CD1-CD1 3.69Å; F237-L244 HydrophobicContact CD1-CG 4.06Å; F237-L244 HydrophobicContact CE1-CD1 3.71Å; F237-L244 HydrophobicContact CE1-CG 4.46Å; F237-L244 PolarHBondContact O-N 2.88Å; K239-L244 HydrophobicContact CB-CD1 4.35Å; L242-L244 HydrophobicContact CB-CD2 4.29Å; L242-L244 PolarHBondContact O-N 3.12Å; L244-F253 HydrophobicContact CB-CE2 4.35Å; L244-F253 HydrophobicContact CB-CZ 3.99Å; L244-F253 HydrophobicContact CD1-CD2 4.16Å; L244-F253 HydrophobicContact CD1-CE1 4.48Å; L244-F253 HydrophobicContact CD1-CE2 3.83Å; L244-F253 HydrophobicContact CD1-CZ 4Å; L244-F253 HydrophobicContact CD2-CD1 4.44Å; L244-F253 HydrophobicContact CD2-CE1 3.82Å; L244-F253 HydrophobicContact CD2-CZ 3.88Å; L244-F253 HydrophobicContact CG-CE2 4.46Å; L244-F253 HydrophobicContact CG-CZ 4.17Å; L244-L265 HydrophobicContact CD2-CD1 3.98Å; L244-F266 HydrophobicContact CD1-CE2 4.23Å; L244-F266 HydrophobicContact CD1-CZ 4.2Å; L244-Y313 HydrophobicContact CD2-CD2 4.43Å; L244-Y313 HydrophobicContact CD2-CG 4.29Å |
| 245 | P | 91.4 | Very high | 87.9 | Confident | 25 Ų | 25 | 26.8 Ų | 26.8 | 16% | 0.162 | 13% | 0.128 | C | C | . | . | trans | -65.5 | 151 | 175.6 | -22.3 | 32.3 | 0 | 0 | 0 | 112.8 | Y247 | P245-Y247 VanDerWaalsContact C-N 3.33Å; P245-Y247 HydrophobicContact CB-CD1 3.89Å; P245-Y247 HydrophobicContact CB-CE1 3.42Å; P245-Y247 VanDerWaalsContact CB-CE1 3.42Å; P245-Y247 HydrophobicContact CB-CE2 4.32Å; P245-Y247 HydrophobicContact CG-CE1 4.34Å; P245-Y247 PolarHBondContact O-N 2.92Å | ||
| 246 | H | 91.3 | Very high | 87.4 | Confident | 26 Ų | 26 | 29.5 Ų | 29.5 | 12% | 0.12 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -29.5 | -173.7 | -67.7 | -169.1 | 0 | 0 | 0 | 113.7 | Q210 E233 L235 | Q210-H246 HydrophobicContact CB-CB 4.18Å; Q210-H246 PolarHBondContact N-O 3.03Å; E233-H246 IonicContact OE2-ND1 3.41Å; E233-H246 PolarHBondContact OE2-ND1 2.7Å; L235-H246 PolarHBondContact O-CE1 3.39Å; L235-H246 PolarHBondContact O-NE2 3.19Å |
| 247 | Y | 90.7 | Very high | 86.6 | Confident | 168 Ų | 168 | 37.4 Ų | 37.4 | 66% | 0.659 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -17.4 | -174.6 | 57.9 | -97.2 | 0 | 0 | 0 | 113.6 | P245 | P245-Y247 VanDerWaalsContact C-N 3.33Å; P245-Y247 HydrophobicContact CB-CD1 3.89Å; P245-Y247 HydrophobicContact CB-CE1 3.42Å; P245-Y247 VanDerWaalsContact CB-CE1 3.42Å; P245-Y247 HydrophobicContact CB-CE2 4.32Å; P245-Y247 HydrophobicContact CG-CE1 4.34Å; P245-Y247 PolarHBondContact O-N 2.92Å |
| 248 | H | 90.3 | Very high | 85.6 | Confident | 32 Ų | 32 | 37.8 Ų | 37.8 | 15% | 0.148 | 19% | 0.188 | C | C | . | . | trans | -75.1 | 148.4 | 178.3 | -83.8 | -64.2 | 0 | 0 | 0 | 111.8 | T208 V209 D252 F253 | T208-H248 WeakPolarHBondContact CA-O 3.13Å; V209-H248 PolarHBondContact N-O 2.8Å; H248-D252 IonicContact ND1-OD2 3.03Å; H248-F253 HydrophobicContact CB-CE1 4.22Å; H248-F253 HydrophobicContact CB-CE2 3.6Å; H248-F253 HydrophobicContact CB-CZ 3.36Å; H248-F253 AromaticContact CG-CZ 3.94Å | ||
| 249 | T | 91.1 | Very high | 84.6 | Confident | 23 Ų | 23 | 42.5 Ų | 42.5 | 14% | 0.141 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -93.6 | 154.5 | 173.6 | 66 | 0 | 0 | 0 | 0 | 110.8 | G206 N207 T208 Y251 D252 F253 | G206-T249 WeakPolarHBondContact O-CG2 3.49Å; N207-T249 WeakPolarHBondContact O-CA 3.42Å; T208-T249 HydrophobicContact CG2-CG2 4.03Å; T249-Y251 PolarHBondContact O-N 3.28Å; T249-D252 PolarHBondContact N-OD2 2.88Å; T249-D252 PolarHBondContact O-N 2.82Å; T249-D252 VanDerWaalsContact O-N 3.14Å; T249-D252 PolarHBondContact OG1-N 3.39Å; T249-D252 PolarHBondContact OG1-OD1 3.02Å; T249-D252 PolarHBondContact OG1-OD2 3.33Å; T249-F253 WeakPolarHBondContact O-CD2 3.38Å |
| 250 | F | 87.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.2 | -34 | 172.1 | -65.3 | -78.9 | 0 | 0 | 0 | 111.4 | M185 V187 V203 K205 N207 V209 F212 F237 D252 F253 I254 F266 | M185-F250 HydrophobicContact CE-CB 3.82Å; M185-F250 HydrophobicContact CE-CD1 3.92Å; M185-F250 HydrophobicContact CE-CG 3.87Å; V187-F250 HydrophobicContact CG2-CE1 4.41Å; V203-F250 HydrophobicContact CG2-CD2 4.39Å; V203-F250 HydrophobicContact CG2-CE2 4.13Å; K205-F250 CarbonylContact O-C 3.56Å; K205-F250 WeakPolarHBondContact O-CB 3.47Å; K205-F250 PolarHBondContact O-N 3.29Å; N207-F250 VanDerWaalsContact O-CD2 3.29Å; N207-F250 WeakPolarHBondContact O-CD2 3.47Å; N207-F250 PolarHBondContact O-N 3.37Å; V209-F250 HydrophobicContact CG2-CE1 4.47Å; V209-F250 HydrophobicContact CG2-CZ 4.31Å; F212-F250 HydrophobicContact CB-CE2 3.65Å; F212-F250 HydrophobicContact CB-CZ 3.71Å; F212-F250 HydrophobicContact CD1-CZ 4.04Å; F212-F250 HydrophobicContact CD2-CZ 4.32Å; F212-F250 HydrophobicContact CG-CE2 4.18Å; F212-F250 AromaticContact CG-CZ 3.76Å; F212-F250 HydrophobicContact CG-CZ 3.76Å; F237-F250 HydrophobicContact CE1-CE1 4.35Å; F250-D252 VanDerWaalsContact C-N 3.34Å; F250-D252 PolarHBondContact O-N 2.97Å; F250-F253 PolarHBondContact O-N 3.39Å; F250-I254 VanDerWaalsContact O-CG1 3.31Å; F250-I254 WeakPolarHBondContact O-CG1 3.29Å; F250-I254 PolarHBondContact O-N 2.97Å; F250-F266 HydrophobicContact CD1-CE1 4.02Å; F250-F266 HydrophobicContact CD1-CE2 4.26Å; F250-F266 AromaticContact CD1-CZ 3.59Å; F250-F266 HydrophobicContact CD1-CZ 3.59Å; F250-F266 HydrophobicContact CE1-CE1 4.1Å; F250-F266 AromaticContact CE1-CZ 3.74Å; F250-F266 HydrophobicContact CE1-CZ 3.74Å |
| 251 | Y | 88.1 | Confident | 83.1 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 8% | 0.078 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.6 | -41.1 | 173.5 | -179.7 | -101.3 | 0 | 0 | 0 | 113.5 | V180 K181 K205 T249 F253 I254 I255 | V180-Y251 HydrophobicContact CB-CD2 4.43Å; V180-Y251 HydrophobicContact CB-CE2 3.95Å; V180-Y251 HydrophobicContact CG1-CD2 3.84Å; V180-Y251 HydrophobicContact CG1-CE2 3.6Å; K181-Y251 HydrophobicContact CG-CD1 4.15Å; K181-Y251 HydrophobicContact CG-CD2 3.85Å; K181-Y251 HydrophobicContact CG-CE2 4.33Å; K181-Y251 HydrophobicContact CG-CG 3.76Å; K205-Y251 WeakPolarHBondContact O-CB 3.32Å; K205-Y251 PolarHBondContact O-N 3.48Å; T249-Y251 PolarHBondContact O-N 3.28Å; Y251-F253 VanDerWaalsContact C-N 3.32Å; Y251-F253 PolarHBondContact O-N 2.89Å; Y251-I254 WeakPolarHBondContact O-CB 3.46Å; Y251-I254 PolarHBondContact O-N 2.74Å; Y251-I255 HydrophobicContact CD1-CD1 3.62Å; Y251-I255 HydrophobicContact CD1-CG1 4.41Å; Y251-I255 HydrophobicContact CE1-CD1 3.01Å; Y251-I255 HydrophobicContact CE1-CG1 3.94Å; Y251-I255 HydrophobicContact CE2-CD1 4.16Å; Y251-I255 HydrophobicContact CE2-CG1 4.22Å; Y251-I255 HydrophobicContact CG-CD1 4.4Å; Y251-I255 WeakPolarHBondContact O-CG1 3.48Å; Y251-I255 PolarHBondContact O-N 3Å; Y251-I255 WeakPolarHBondContact OH-CD1 3.33Å |
| 252 | D | 87.7 | Confident | 82 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65 | -39.5 | 178.6 | -57 | -38.7 | 0 | 0 | 0 | 111.3 | H248 T249 F250 I254 I255 A256 | H248-D252 IonicContact ND1-OD2 3.03Å; T249-D252 PolarHBondContact N-OD2 2.88Å; T249-D252 PolarHBondContact O-N 2.82Å; T249-D252 VanDerWaalsContact O-N 3.14Å; T249-D252 PolarHBondContact OG1-N 3.39Å; T249-D252 PolarHBondContact OG1-OD1 3.02Å; T249-D252 PolarHBondContact OG1-OD2 3.33Å; F250-D252 VanDerWaalsContact C-N 3.34Å; F250-D252 PolarHBondContact O-N 2.97Å; D252-I254 VanDerWaalsContact C-N 3.31Å; D252-I254 PolarHBondContact O-N 2.92Å; D252-I255 PolarHBondContact O-N 2.93Å; D252-A256 VanDerWaalsContact O-CB 3.26Å; D252-A256 WeakPolarHBondContact O-CB 3.42Å; D252-A256 PolarHBondContact O-N 3.11Å |
| 253 | F | 83.9 | Confident | 81 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.2 | -30.6 | 175.7 | -59.1 | -61.1 | 0 | 0 | 0 | 112.5 | V209 L244 H248 T249 F250 Y251 K257 A258 F266 Y313 | V209-F253 HydrophobicContact CG2-CE2 3.9Å; L244-F253 HydrophobicContact CB-CE2 4.35Å; L244-F253 HydrophobicContact CB-CZ 3.99Å; L244-F253 HydrophobicContact CD1-CD2 4.16Å; L244-F253 HydrophobicContact CD1-CE1 4.48Å; L244-F253 HydrophobicContact CD1-CE2 3.83Å; L244-F253 HydrophobicContact CD1-CZ 4Å; L244-F253 HydrophobicContact CD2-CD1 4.44Å; L244-F253 HydrophobicContact CD2-CE1 3.82Å; L244-F253 HydrophobicContact CD2-CZ 3.88Å; L244-F253 HydrophobicContact CG-CE2 4.46Å; L244-F253 HydrophobicContact CG-CZ 4.17Å; H248-F253 HydrophobicContact CB-CE1 4.22Å; H248-F253 HydrophobicContact CB-CE2 3.6Å; H248-F253 HydrophobicContact CB-CZ 3.36Å; H248-F253 AromaticContact CG-CZ 3.94Å; T249-F253 WeakPolarHBondContact O-CD2 3.38Å; F250-F253 PolarHBondContact O-N 3.39Å; Y251-F253 VanDerWaalsContact C-N 3.32Å; Y251-F253 PolarHBondContact O-N 2.89Å; F253-K257 PolarHBondContact O-N 2.98Å; F253-A258 HydrophobicContact CB-CB 4.43Å; F253-A258 HydrophobicContact CD1-CB 4.29Å; F253-A258 PolarHBondContact O-N 3.25Å; F253-F266 HydrophobicContact CB-CE2 4.23Å; F253-Y313 HydrophobicContact CD1-CD1 4.38Å; F253-Y313 AromaticContact CD1-CE1 3.89Å; F253-Y313 HydrophobicContact CD1-CE1 3.89Å; F253-Y313 HydrophobicContact CD1-CE2 4.15Å; F253-Y313 AromaticContact CD1-CZ 3.75Å; F253-Y313 AromaticContact CE1-CD1 3.54Å; F253-Y313 HydrophobicContact CE1-CD1 3.54Å; F253-Y313 HydrophobicContact CE1-CD2 4.24Å; F253-Y313 AromaticContact CE1-CE1 3.43Å; F253-Y313 HydrophobicContact CE1-CE1 3.43Å; F253-Y313 VanDerWaalsContact CE1-CE1 3.43Å; F253-Y313 HydrophobicContact CE1-CE2 4.17Å; F253-Y313 AromaticContact CE1-CG 3.92Å; F253-Y313 HydrophobicContact CE1-CG 3.92Å; F253-Y313 AromaticContact CE1-CZ 3.75Å; F253-Y313 HydrophobicContact CZ-CD1 4.43Å |
| 254 | I | 82.1 | Confident | 80.1 | Confident | 30 Ų | 30 | 46.8 Ų | 46.8 | 15% | 0.154 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -55 | 172.9 | -66.9 | 168.9 | 0 | 0 | 0 | 110.6 | K205 F250 Y251 D252 A256 K257 F268 | K205-I254 HydrophobicContact CB-CD1 3.97Å; K205-I254 HydrophobicContact CD-CD1 3.42Å; K205-I254 VanDerWaalsContact CD-CD1 3.42Å; K205-I254 HydrophobicContact CG-CD1 3.63Å; F250-I254 VanDerWaalsContact O-CG1 3.31Å; F250-I254 WeakPolarHBondContact O-CG1 3.29Å; F250-I254 PolarHBondContact O-N 2.97Å; Y251-I254 WeakPolarHBondContact O-CB 3.46Å; Y251-I254 PolarHBondContact O-N 2.74Å; D252-I254 VanDerWaalsContact C-N 3.31Å; D252-I254 PolarHBondContact O-N 2.92Å; I254-A256 VanDerWaalsContact C-N 3.33Å; I254-A256 PolarHBondContact O-N 3.26Å; I254-K257 PolarHBondContact O-N 2.64Å; I254-F268 VanDerWaalsContact CA-CE2 3.47Å; I254-F268 HydrophobicContact CB-CD2 4.24Å; I254-F268 HydrophobicContact CB-CE1 4.4Å; I254-F268 HydrophobicContact CB-CE2 3.94Å; I254-F268 HydrophobicContact CB-CZ 4.02Å; I254-F268 HydrophobicContact CD1-CD1 3.74Å; I254-F268 HydrophobicContact CD1-CE1 3.49Å; I254-F268 VanDerWaalsContact CD1-CE1 3.49Å; I254-F268 HydrophobicContact CD1-CG 4.39Å; I254-F268 HydrophobicContact CD1-CZ 3.92Å; I254-F268 HydrophobicContact CG1-CD1 3.47Å; I254-F268 VanDerWaalsContact CG1-CD1 3.47Å; I254-F268 HydrophobicContact CG1-CD2 3.76Å; I254-F268 HydrophobicContact CG1-CE1 3.08Å; I254-F268 HydrophobicContact CG1-CE2 3.36Å; I254-F268 HydrophobicContact CG1-CG 3.79Å; I254-F268 HydrophobicContact CG1-CZ 2.98Å; I254-F268 HydrophobicContact CG2-CD2 4.22Å; I254-F268 HydrophobicContact CG2-CE2 4.44Å; I254-F268 HydrophobicContact CG2-CG 4.33Å |
| 255 | I | 82.9 | Confident | 79 | Confident | 100 Ų | 100 | 46.8 Ų | 46.8 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63 | -45.4 | -176.4 | -62.7 | 162.5 | 0 | 0 | 0 | 110.4 | Y251 D252 K257 | Y251-I255 HydrophobicContact CD1-CD1 3.62Å; Y251-I255 HydrophobicContact CD1-CG1 4.41Å; Y251-I255 HydrophobicContact CE1-CD1 3.01Å; Y251-I255 HydrophobicContact CE1-CG1 3.94Å; Y251-I255 HydrophobicContact CE2-CD1 4.16Å; Y251-I255 HydrophobicContact CE2-CG1 4.22Å; Y251-I255 HydrophobicContact CG-CD1 4.4Å; Y251-I255 WeakPolarHBondContact O-CG1 3.48Å; Y251-I255 PolarHBondContact O-N 3Å; Y251-I255 WeakPolarHBondContact OH-CD1 3.33Å; D252-I255 PolarHBondContact O-N 2.93Å; I255-K257 PolarHBondContact O-N 2.74Å |
| 256 | A | 78.8 | Confident | 77.9 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 47% | 0.471 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D252 I254 A258 | D252-A256 VanDerWaalsContact O-CB 3.26Å; D252-A256 WeakPolarHBondContact O-CB 3.42Å; D252-A256 PolarHBondContact O-N 3.11Å; I254-A256 VanDerWaalsContact C-N 3.33Å; I254-A256 PolarHBondContact O-N 3.26Å; A256-A258 HydrophobicContact CB-CB 4.46Å; A256-A258 PolarHBondContact O-N 3.07Å |
| 257 | K | 73.2 | Confident | 76.3 | Confident | 173 Ų | 173 | 49 Ų | 49 | 75% | 0.752 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 47.3 | -168.9 | -63.6 | -174 | 178.9 | -177.2 | 0 | 109.6 | F253 I254 I255 R259 | F253-K257 PolarHBondContact O-N 2.98Å; I254-K257 PolarHBondContact O-N 2.64Å; I255-K257 PolarHBondContact O-N 2.74Å; K257-R259 PolarHBondContact O-N 2.94Å; K257-R259 VanDerWaalsContact O-N 3.1Å |
| 258 | A | 69.8 | Low | 74.5 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 7% | 0.066 | 23% | 0.231 | C | C | . | . | trans | -54.8 | 119.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | F253 A256 L265 Y313 | F253-A258 HydrophobicContact CB-CB 4.43Å; F253-A258 HydrophobicContact CD1-CB 4.29Å; F253-A258 PolarHBondContact O-N 3.25Å; A256-A258 HydrophobicContact CB-CB 4.46Å; A256-A258 PolarHBondContact O-N 3.07Å; A258-L265 HydrophobicContact CB-CD1 3.62Å; A258-L265 HydrophobicContact CB-CG 4.27Å; A258-L265 WeakPolarHBondContact O-CB 3.49Å; A258-L265 WeakPolarHBondContact O-CG 3.26Å; A258-L265 PolarHBondContact O-N 2.94Å; A258-Y313 HydrophobicContact CB-CE2 3.65Å | ||
| 259 | R | 68.8 | Low | 72 | Confident | 99 Ų | 99 | 47.9 Ų | 47.9 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.8 | 176.4 | -77.7 | -170.7 | 164.2 | 130.6 | 4.5 | 108.9 | K257 W319 | K257-R259 PolarHBondContact O-N 2.94Å; K257-R259 VanDerWaalsContact O-N 3.1Å; R259-W319 HydrophobicContact CB-CB 4.32Å |
| 260 | G | 69.3 | Low | 69.5 | Low | 4 Ų | 4 | 52.8 Ų | 52.8 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -173.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S262 G263 | G260-S262 VanDerWaalsContact C-N 3.25Å; G260-S262 PolarHBondContact O-N 3.4Å; G260-G263 PolarHBondContact N-O 3.04Å; G260-G263 PolarHBondContact O-N 2.69Å |
| 261 | K | 67.8 | Low | 67 | Low | 40 Ų | 40 | 59.7 Ų | 59.7 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -31.2 | 177.1 | -55.9 | -174.4 | 169 | 161.1 | 0 | 113.5 | E311 W319 | K261-E311 VanDerWaalsContact CE-OE1 3.28Å; K261-E311 WeakPolarHBondContact CE-OE1 3.42Å; K261-E311 VanDerWaalsContact NZ-CD 3.33Å; K261-E311 IonicContact NZ-OE1 3.82Å; K261-E311 PolarHBondContact NZ-OE1 2.97Å; K261-W319 HydrophobicContact CB-CE3 4.3Å; K261-W319 HydrophobicContact CB-CZ3 4.35Å; K261-W319 HydrophobicContact CD-CH2 3.8Å; K261-W319 HydrophobicContact CD-CZ2 4.36Å; K261-W319 HydrophobicContact CD-CZ3 3.97Å; K261-W319 HydrophobicContact CG-CD2 4.09Å; K261-W319 HydrophobicContact CG-CE3 3.69Å; K261-W319 HydrophobicContact CG-CH2 3.48Å; K261-W319 VanDerWaalsContact CG-CH2 3.48Å; K261-W319 HydrophobicContact CG-CZ2 3.78Å; K261-W319 HydrophobicContact CG-CZ3 3.42Å; K261-W319 VanDerWaalsContact CG-CZ3 3.42Å |
| 262 | S | 60.6 | Low | 64.3 | Low | 59 Ų | 59 | 65.5 Ų | 65.5 | 41% | 0.413 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 2.2 | -176.7 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | E240 G260 | E240-S262 VanDerWaalsContact CB-OG 3.27Å; E240-S262 WeakPolarHBondContact CB-OG 3.46Å; E240-S262 WeakPolarHBondContact CG-OG 3.44Å; E240-S262 PolarHBondContact OE2-OG 2.75Å; G260-S262 VanDerWaalsContact C-N 3.25Å; G260-S262 PolarHBondContact O-N 3.4Å |
| 263 | G | 64.8 | Low | 61.6 | Low | 19 Ų | 19 | 70 Ų | 70 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.9 | -166.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G260 | G260-G263 PolarHBondContact N-O 3.04Å; G260-G263 PolarHBondContact O-N 2.69Å |
| 264 | P | 70.6 | Confident | 59.3 | Low | 41 Ų | 41 | 74.8 Ų | 74.8 | 27% | 0.266 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 137.1 | 177.4 | -21.2 | 32.9 | 0 | 0 | 0 | 112.2 | F266 | P264-F266 VanDerWaalsContact C-N 3.31Å; P264-F266 PolarHBondContact O-N 2.84Å |
| 265 | L | 68.7 | Low | 57.4 | Low | 1 Ų | 1 | 83.8 Ų | 83.8 | 1% | 0.005 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -66.9 | -33.5 | 179.4 | -75.2 | -176 | 0 | 0 | 0 | 112.9 | K239 E240 L242 L244 A258 | K239-L265 HydrophobicContact CB-CD2 4.12Å; K239-L265 WeakPolarHBondContact CE-O 3.33Å; K239-L265 HydrophobicContact CG-CB 4.28Å; K239-L265 HydrophobicContact CG-CD2 4Å; K239-L265 WeakPolarHBondContact CG-O 3.46Å; K239-L265 PolarHBondContact NZ-O 2.99Å; K239-L265 WeakPolarHBondContact O-CD2 3.36Å; E240-L265 HydrophobicContact CB-CD2 4.23Å; E240-L265 HydrophobicContact CG-CD2 4.27Å; L242-L265 HydrophobicContact CB-CD2 4.2Å; L242-L265 HydrophobicContact CD1-CD1 3.96Å; L242-L265 HydrophobicContact CD1-CD2 3.86Å; L242-L265 HydrophobicContact CD1-CG 4.18Å; L242-L265 HydrophobicContact CG-CD2 4.38Å; L244-L265 HydrophobicContact CD2-CD1 3.98Å; A258-L265 HydrophobicContact CB-CD1 3.62Å; A258-L265 HydrophobicContact CB-CG 4.27Å; A258-L265 WeakPolarHBondContact O-CB 3.49Å; A258-L265 WeakPolarHBondContact O-CG 3.26Å; A258-L265 PolarHBondContact O-N 2.94Å |
| 266 | F | 67.7 | Low | 55.5 | Low | 21 Ų | 21 | 85.4 Ų | 85.4 | 9% | 0.092 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -142.8 | 137.7 | 177 | -59 | -91.8 | 0 | 0 | 0 | 107.9 | F237 L244 F250 F253 P264 F268 | F237-F266 HydrophobicContact CE1-CZ 4.27Å; L244-F266 HydrophobicContact CD1-CE2 4.23Å; L244-F266 HydrophobicContact CD1-CZ 4.2Å; F250-F266 HydrophobicContact CD1-CE1 4.02Å; F250-F266 HydrophobicContact CD1-CE2 4.26Å; F250-F266 AromaticContact CD1-CZ 3.59Å; F250-F266 HydrophobicContact CD1-CZ 3.59Å; F250-F266 HydrophobicContact CE1-CE1 4.1Å; F250-F266 AromaticContact CE1-CZ 3.74Å; F250-F266 HydrophobicContact CE1-CZ 3.74Å; F253-F266 HydrophobicContact CB-CE2 4.23Å; P264-F266 VanDerWaalsContact C-N 3.31Å; P264-F266 PolarHBondContact O-N 2.84Å; F266-F268 HydrophobicContact CB-CD1 3.98Å; F266-F268 HydrophobicContact CB-CD2 3.98Å; F266-F268 HydrophobicContact CB-CE1 3.41Å; F266-F268 VanDerWaalsContact CB-CE1 3.41Å; F266-F268 HydrophobicContact CB-CE2 3.45Å; F266-F268 VanDerWaalsContact CB-CE2 3.45Å; F266-F268 HydrophobicContact CB-CG 4.24Å; F266-F268 HydrophobicContact CB-CZ 3.14Å; F266-F268 HydrophobicContact CD1-CE1 4.42Å; F266-F268 HydrophobicContact CD1-CZ 4.39Å; F266-F268 HydrophobicContact CD2-CE1 4.19Å; F266-F268 HydrophobicContact CD2-CE2 4.01Å; F266-F268 AromaticContact CD2-CZ 3.4Å; F266-F268 HydrophobicContact CD2-CZ 3.4Å; F266-F268 HydrophobicContact CE2-CZ 4.39Å; F266-F268 AromaticContact CG-CE1 3.79Å; F266-F268 HydrophobicContact CG-CE1 3.79Å; F266-F268 HydrophobicContact CG-CE2 4.1Å; F266-F268 AromaticContact CG-CZ 3.41Å; F266-F268 HydrophobicContact CG-CZ 3.41Å; F266-F268 VanDerWaalsContact CG-CZ 3.41Å; F266-F268 WeakPolarHBondContact O-CD2 3.04Å; F266-F268 PolarHBondContact O-N 3.49Å |
| 267 | N | 58.3 | Low | 53.6 | Low | 78 Ų | 78 | 90.3 Ų | 90.3 | 42% | 0.417 | 46% | 0.46 | S | S | . | . | trans | -81.2 | 99.8 | 167.3 | -66.8 | -3.9 | 0 | 0 | 0 | 106.5 | D285 S287 | N267-D285 PolarHBondContact ND2-O 3.05Å; N267-D285 VanDerWaalsContact ND2-O 3.08Å; N267-S287 PolarHBondContact OD1-OG 3.27Å | ||
| 268 | F | 53.3 | Low | 52.2 | Low | 55 Ų | 55 | 88.5 Ų | 88.5 | 24% | 0.241 | 47% | 0.469 | C | S | . | . | trans | -88 | 10.1 | 176.7 | -61.8 | -64.2 | 0 | 0 | 0 | 112.6 | M185 I254 F266 V270 | M185-F268 HydrophobicContact CE-CE1 4.26Å; M185-F268 HydrophobicContact SD-CD1 4.03Å; M185-F268 HydrophobicContact SD-CE1 3.66Å; I254-F268 VanDerWaalsContact CA-CE2 3.47Å; I254-F268 HydrophobicContact CB-CD2 4.24Å; I254-F268 HydrophobicContact CB-CE1 4.4Å; I254-F268 HydrophobicContact CB-CE2 3.94Å; I254-F268 HydrophobicContact CB-CZ 4.02Å; I254-F268 HydrophobicContact CD1-CD1 3.74Å; I254-F268 HydrophobicContact CD1-CE1 3.49Å; I254-F268 VanDerWaalsContact CD1-CE1 3.49Å; I254-F268 HydrophobicContact CD1-CG 4.39Å; I254-F268 HydrophobicContact CD1-CZ 3.92Å; I254-F268 HydrophobicContact CG1-CD1 3.47Å; I254-F268 VanDerWaalsContact CG1-CD1 3.47Å; I254-F268 HydrophobicContact CG1-CD2 3.76Å; I254-F268 HydrophobicContact CG1-CE1 3.08Å; I254-F268 HydrophobicContact CG1-CE2 3.36Å; I254-F268 HydrophobicContact CG1-CG 3.79Å; I254-F268 HydrophobicContact CG1-CZ 2.98Å; I254-F268 HydrophobicContact CG2-CD2 4.22Å; I254-F268 HydrophobicContact CG2-CE2 4.44Å; I254-F268 HydrophobicContact CG2-CG 4.33Å; F266-F268 HydrophobicContact CB-CD1 3.98Å; F266-F268 HydrophobicContact CB-CD2 3.98Å; F266-F268 HydrophobicContact CB-CE1 3.41Å; F266-F268 VanDerWaalsContact CB-CE1 3.41Å; F266-F268 HydrophobicContact CB-CE2 3.45Å; F266-F268 VanDerWaalsContact CB-CE2 3.45Å; F266-F268 HydrophobicContact CB-CG 4.24Å; F266-F268 HydrophobicContact CB-CZ 3.14Å; F266-F268 HydrophobicContact CD1-CE1 4.42Å; F266-F268 HydrophobicContact CD1-CZ 4.39Å; F266-F268 HydrophobicContact CD2-CE1 4.19Å; F266-F268 HydrophobicContact CD2-CE2 4.01Å; F266-F268 AromaticContact CD2-CZ 3.4Å; F266-F268 HydrophobicContact CD2-CZ 3.4Å; F266-F268 HydrophobicContact CE2-CZ 4.39Å; F266-F268 AromaticContact CG-CE1 3.79Å; F266-F268 HydrophobicContact CG-CE1 3.79Å; F266-F268 HydrophobicContact CG-CE2 4.1Å; F266-F268 AromaticContact CG-CZ 3.41Å; F266-F268 HydrophobicContact CG-CZ 3.41Å; F266-F268 VanDerWaalsContact CG-CZ 3.41Å; F266-F268 WeakPolarHBondContact O-CD2 3.04Å; F266-F268 PolarHBondContact O-N 3.49Å; F268-V270 PolarHBondContact O-N 3.12Å | ||
| 269 | D | 36.5 | Very low | 50.6 | Low | 120 Ų | 120 | 93.1 Ų | 93.1 | 64% | 0.642 | 49% | 0.493 | S | S | * | . | trans | -77.2 | 112.7 | -178.5 | -141.5 | -7 | 0 | 0 | 0 | 109 | H271 | D269-H271 PolarHBondContact O-N 3.48Å; D269-H271 IonicContact OD1-CE1 3.86Å; D269-H271 PolarHBondContact OD1-CE1 3.24Å; D269-H271 IonicContact OD1-ND1 3.67Å; D269-H271 PolarHBondContact OD1-ND1 3.3Å; D269-H271 IonicContact OD2-CE1 2.73Å; D269-H271 IonicContact OD2-ND1 2.81Å; D269-H271 PolarHBondContact OD2-ND1 3.07Å | ||
| 270 | V | 39.4 | Very low | 49.2 | Very low | 126 Ų | 126 | 93.5 Ų | 93.5 | 76% | 0.764 | 52% | 0.517 | S | S | * | . | trans | -73.6 | 58.2 | 168.5 | -175.4 | 0 | 0 | 0 | 0 | 107.5 | F268 | F268-V270 PolarHBondContact O-N 3.12Š| ||
| 271 | H | 35.9 | Very low | 48.1 | Very low | 146 Ų | 146 | 99 Ų | 99 | 68% | 0.676 | 55% | 0.55 | S | S | * | * | trans | -108.2 | 110 | 160.5 | -70.4 | 87.2 | 0 | 0 | 0 | 105.5 | D269 | D269-H271 PolarHBondContact O-N 3.48Å; D269-H271 IonicContact OD1-CE1 3.86Å; D269-H271 PolarHBondContact OD1-CE1 3.24Å; D269-H271 IonicContact OD1-ND1 3.67Å; D269-H271 PolarHBondContact OD1-ND1 3.3Å; D269-H271 IonicContact OD2-CE1 2.73Å; D269-H271 IonicContact OD2-ND1 2.81Å; D269-H271 PolarHBondContact OD2-ND1 3.07Å | ||
| 272 | D | 29.6 | Very low | 46.7 | Very low | 142 Ų | 142 | 104.4 Ų | 104.4 | 76% | 0.759 | 58% | 0.578 | S | S | * | * | trans | -28.2 | 141.9 | 153.6 | -84.9 | -57 | 0 | 0 | 0 | 110.8 | V274 | D272-V274 HydrophobicContact CB-CG2 3.95Å; D272-V274 PolarHBondContact O-N 3.2Å | ||
| 273 | D | 32 | Very low | 45.9 | Very low | 149 Ų | 149 | 107.3 Ų | 107.3 | 80% | 0.797 | 59% | 0.585 | S | S | * | * | trans | -55.1 | 70.6 | 156.5 | -85.3 | -34.2 | 0 | 0 | 0 | 109.8 | R275 | D273-R275 PolarHBondContact O-N 3.13Š| ||
| 274 | V | 35.2 | Very low | 44.8 | Very low | 102 Ų | 102 | 115.5 Ų | 115.5 | 62% | 0.618 | 62% | 0.615 | S | S | * | * | trans | -79.5 | 83 | 162.6 | -175.6 | 0 | 0 | 0 | 0 | 105.2 | D272 L276 | D272-V274 HydrophobicContact CB-CG2 3.95Å; D272-V274 PolarHBondContact O-N 3.2Å; V274-L276 HydrophobicContact CG1-CB 4.2Å; V274-L276 HydrophobicContact CG1-CD1 3.71Å; V274-L276 HydrophobicContact CG1-CG 3.97Å; V274-L276 PolarHBondContact O-N 3.4Å | ||
| 275 | R | 43.3 | Very low | 43.8 | Very low | 219 Ų | 219 | 117.9 Ų | 117.9 | 83% | 0.826 | 63% | 0.625 | S | S | * | * | trans | -55 | 86.7 | 159.9 | -75.4 | -176.7 | 169.9 | 101.5 | -0.3 | 109.1 | D273 | D273-R275 PolarHBondContact O-N 3.13Š| ||
| 276 | L | 42.1 | Very low | 42.8 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 70% | 0.702 | 66% | 0.658 | S | S | * | * | trans | -138.2 | 102.1 | 164.6 | -78.2 | 171.3 | 0 | 0 | 0 | 109.3 | V274 | V274-L276 HydrophobicContact CG1-CB 4.2Å; V274-L276 HydrophobicContact CG1-CD1 3.71Å; V274-L276 HydrophobicContact CG1-CG 3.97Å; V274-L276 PolarHBondContact O-N 3.4Å | ||
| 277 | L | 38.9 | Very low | 42.5 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 84% | 0.843 | 67% | 0.668 | S | S | * | * | trans | 70.1 | 121.1 | 158.9 | -68.1 | 142.9 | 0 | 0 | 0 | 116.5 | D279 | L277-D279 PolarHBondContact O-N 3.21Š| ||
| 278 | S | 43.2 | Very low | 42.9 | Very low | 135 Ų | 135 | 127.1 Ų | 127.1 | 94% | 0.944 | 67% | 0.671 | S | S | * | * | trans | -60.4 | 94.7 | 176.5 | -49.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 279 | D | 36.5 | Very low | 44.1 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 56% | 0.561 | 67% | 0.668 | S | S | * | * | trans | -96.7 | 121 | 165.6 | -158.9 | -29.2 | 0 | 0 | 0 | 108.9 | L277 T281 | L277-D279 PolarHBondContact O-N 3.21Å; D279-T281 PolarHBondContact O-N 2.96Å; D279-T281 PolarHBondContact OD1-N 2.95Å; D279-T281 PolarHBondContact OD1-OG1 3.27Å | ||
| 280 | A | 39.8 | Very low | 46.4 | Very low | 107 Ų | 107 | 119.8 Ų | 119.8 | 88% | 0.884 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 7.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 281 | T | 45.1 | Very low | 48.7 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 73% | 0.73 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -11.3 | 179.7 | 56.5 | 0 | 0 | 0 | 0 | 114 | D279 | D279-T281 PolarHBondContact O-N 2.96Å; D279-T281 PolarHBondContact OD1-N 2.95Å; D279-T281 PolarHBondContact OD1-OG1 3.27Å |
| 282 | M | 40.3 | Very low | 51.3 | Low | 153 Ų | 153 | 108.9 Ų | 108.9 | 75% | 0.754 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -95.3 | 122.1 | 174.9 | -80.7 | 169.8 | 60 | 0 | 0 | 110 | K284 | M282-K284 PolarHBondContact O-N 2.78Š|
| 283 | E | 43.1 | Very low | 54.2 | Low | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | trans | -52 | 124.7 | 171.6 | -70 | -175.9 | 141.8 | 0 | 0 | 108.9 | D285 | E283-D285 PolarHBondContact O-N 3.09Š| ||
| 284 | K | 41.8 | Very low | 56.9 | Low | 191 Ų | 191 | 96 Ų | 96 | 83% | 0.83 | 51% | 0.509 | S | S | * | . | trans | -67.2 | 90.6 | 167.9 | -92.2 | -176.7 | 173.4 | -178.3 | 0 | 107.6 | M282 E286 | M282-K284 PolarHBondContact O-N 2.78Å; K284-E286 PolarHBondContact O-N 2.92Å | ||
| 285 | D | 48.9 | Very low | 59.5 | Low | 90 Ų | 90 | 95.9 Ų | 95.9 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | trans | -74.3 | 66 | 179.9 | -79.9 | -31.2 | 0 | 0 | 0 | 111.3 | N267 E283 S287 | N267-D285 PolarHBondContact ND2-O 3.05Å; N267-D285 VanDerWaalsContact ND2-O 3.08Å; E283-D285 PolarHBondContact O-N 3.09Å; D285-S287 PolarHBondContact O-N 3.29Å | ||
| 286 | E | 48 | Very low | 61.7 | Low | 147 Ų | 147 | 87.5 Ų | 87.5 | 69% | 0.687 | 47% | 0.472 | S | S | * | . | trans | -73.3 | 76.3 | 169.2 | -74.4 | -174.9 | -178.3 | 0 | 0 | 109.9 | K284 H288 | K284-E286 PolarHBondContact O-N 2.92Å; E286-H288 PolarHBondContact O-N 3.24Å | ||
| 287 | S | 61.7 | Low | 63.9 | Low | 44 Ų | 44 | 83.8 Ų | 83.8 | 31% | 0.308 | 45% | 0.449 | S | S | . | . | trans | -50.7 | 111.3 | 164.3 | -97.9 | 0 | 0 | 0 | 0 | 109 | N267 D285 | N267-S287 PolarHBondContact OD1-OG 3.27Å; D285-S287 PolarHBondContact O-N 3.29Å | ||
| 288 | H | 66.6 | Low | 66.3 | Low | 104 Ų | 104 | 78.1 Ų | 78.1 | 48% | 0.481 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 140.5 | 178.9 | -68.8 | -54.9 | 0 | 0 | 0 | 110.2 | K239 E240 E286 G290 | K239-H288 WeakPolarHBondContact CD-O 3.45Å; K239-H288 WeakPolarHBondContact CE-O 3.36Å; K239-H288 PolarHBondContact NZ-O 2.97Å; E240-H288 WeakPolarHBondContact OE1-CA 3.41Å; E240-H288 WeakPolarHBondContact OE1-CB 3.32Å; E240-H288 PolarHBondContact OE1-N 2.71Å; E240-H288 IonicContact OE2-CD2 3.62Å; E240-H288 PolarHBondContact OE2-CD2 2.8Å; E240-H288 VanDerWaalsContact OE2-CD2 3.3Å; E240-H288 IonicContact OE2-CG 3.57Å; E286-H288 PolarHBondContact O-N 3.24Å; H288-G290 PolarHBondContact O-N 3.34Å |
| 289 | A | 78 | Confident | 68.6 | Low | 21 Ų | 21 | 77 Ų | 77 | 17% | 0.174 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 138.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T188 | T188-A289 HydrophobicContact CG2-CB 3.85Š|
| 290 | G | 85.3 | Confident | 71.1 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 142.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T188 F189 S190 I238 H288 | T188-G290 PolarHBondContact O-N 3.36Å; F189-G290 CarbonylContact C-O 3.42Å; F189-G290 VanDerWaalsContact C-O 3.31Å; F189-G290 WeakPolarHBondContact CA-O 3.37Å; F189-G290 WeakPolarHBondContact CB-O 3.48Å; S190-G290 PolarHBondContact N-O 2.73Å; I238-G290 CarbonylContact O-C 3.57Å; I238-G290 WeakPolarHBondContact O-CA 3.46Å; H288-G290 PolarHBondContact O-N 3.34Å |
| 291 | K | 88.3 | Confident | 73.5 | Confident | 42 Ų | 42 | 76.1 Ų | 76.1 | 18% | 0.183 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 132.6 | 177.7 | -55.2 | -178.9 | -173.9 | 75.2 | 0 | 109.2 | S190 I238 V293 W310 | S190-K291 CarbonylContact O-C 3.53Å; S190-K291 WeakPolarHBondContact O-CA 3.42Å; I238-K291 HydrophobicContact CB-CB 4.35Å; I238-K291 PolarHBondContact N-O 3.42Å; I238-K291 PolarHBondContact O-N 2.96Å; K291-V293 HydrophobicContact CB-CG2 4.4Å; K291-W310 HydrophobicContact CD-CZ2 3.94Å |
| 292 | V | 90.3 | Very high | 75.5 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.2 | 172.8 | 176.2 | 0 | 0 | 0 | 0 | 107.7 | F189 S190 Y191 W192 F212 L213 L235 M236 F237 | F189-V292 HydrophobicContact CB-CG2 4.09Å; F189-V292 HydrophobicContact CD2-CB 4.19Å; F189-V292 HydrophobicContact CD2-CG2 3.52Å; F189-V292 HydrophobicContact CE2-CG2 4.27Å; F189-V292 HydrophobicContact CG-CG2 4Å; S190-V292 PolarHBondContact O-N 2.95Å; Y191-V292 WeakPolarHBondContact CA-O 3.46Å; Y191-V292 HydrophobicContact CD2-CG1 4.36Å; Y191-V292 WeakPolarHBondContact CD2-O 3.49Å; W192-V292 PolarHBondContact N-O 3.26Å; F212-V292 HydrophobicContact CE1-CG2 4.45Å; L213-V292 HydrophobicContact CD2-CG1 3.95Å; L213-V292 HydrophobicContact CD2-CG2 4.02Å; L235-V292 HydrophobicContact CD1-CG1 4.36Å; L235-V292 HydrophobicContact CD2-CG1 3.94Å; M236-V292 WeakPolarHBondContact O-CA 3.34Å; F237-V292 HydrophobicContact CD2-CG2 3.91Å; F237-V292 HydrophobicContact CE2-CG2 4.48Å |
| 293 | V | 89.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144.4 | -169.3 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | W192 L235 M236 I238 K291 W297 W310 | W192-V293 HydrophobicContact CB-CG2 3.94Å; L235-V293 CarbonylContact C-O 3.58Å; M236-V293 PolarHBondContact N-O 2.87Å; M236-V293 PolarHBondContact O-N 2.72Å; I238-V293 HydrophobicContact CD1-CB 3.81Å; I238-V293 HydrophobicContact CD1-CG2 3.69Å; K291-V293 HydrophobicContact CB-CG2 4.4Å; V293-W297 HydrophobicContact CG1-CB 4.35Å; V293-W297 HydrophobicContact CG1-CD2 4.01Å; V293-W297 HydrophobicContact CG1-CE3 3.24Å; V293-W297 HydrophobicContact CG1-CG 4.49Å; V293-W297 HydrophobicContact CG1-CZ3 3.86Å; V293-W310 HydrophobicContact CG1-CZ3 4.42Å; V293-W310 HydrophobicContact CG2-CH2 3.84Å; V293-W310 HydrophobicContact CG2-CZ3 3.98Å |
| 294 | L | 89.9 | Confident | 79.8 | Confident | 21 Ų | 21 | 73.9 Ų | 73.9 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 135.7 | 169.4 | -74.7 | 166.3 | 0 | 0 | 0 | 110.9 | L227 A230 Q234 L235 S296 W297 Y298 | L227-L294 HydrophobicContact CD2-CD1 4.32Å; L227-L294 HydrophobicContact CD2-CD2 4.05Å; L227-L294 HydrophobicContact CD2-CG 4.29Å; A230-L294 HydrophobicContact CB-CD2 3.97Å; Q234-L294 HydrophobicContact CG-CD2 4.11Å; Q234-L294 CarbonylContact O-C 3.53Å; L235-L294 HydrophobicContact CD2-CD2 3.82Å; L235-L294 HydrophobicContact CD2-CG 4.27Å; L294-S296 VanDerWaalsContact C-N 3.26Å; L294-S296 PolarHBondContact O-N 2.77Å; L294-W297 HydrophobicContact CB-CB 4.14Å; L294-W297 WeakPolarHBondContact O-CA 3.46Å; L294-W297 WeakPolarHBondContact O-CB 3.32Å; L294-W297 PolarHBondContact O-N 3.06Å; L294-Y298 PolarHBondContact O-N 3.01Å |
| 295 | R | 89.6 | Confident | 81.6 | Confident | 99 Ų | 99 | 72.6 Ų | 72.6 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53 | -44.1 | 175.4 | -177.9 | -178.9 | -62 | -78.1 | -3.7 | 112.1 | Q234 M236 W297 Y298 E299 | Q234-R295 HydrophobicContact CG-CB 4.25Å; Q234-R295 VanDerWaalsContact O-CB 3.3Å; Q234-R295 WeakPolarHBondContact O-CB 3.3Å; Q234-R295 PolarHBondContact O-N 3.43Å; M236-R295 HydrophobicContact CE-CB 4.33Å; M236-R295 HydrophobicContact CG-CB 4.44Å; M236-R295 HydrophobicContact SD-CB 4.36Å; M236-R295 HydrophobicContact SD-CG 4.34Å; R295-W297 VanDerWaalsContact C-N 3.27Å; R295-W297 PolarHBondContact O-N 3.35Å; R295-Y298 PolarHBondContact O-N 2.99Å; R295-E299 WeakPolarHBondContact CG-OE1 3.39Å; R295-E299 WeakPolarHBondContact O-CG 3.37Å; R295-E299 PolarHBondContact O-N 2.93Å |
| 296 | S | 89.4 | Confident | 83.3 | Confident | 43 Ų | 43 | 70 Ų | 70 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.8 | -31.9 | 176.6 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | Q234 L294 K300 | Q234-S296 PolarHBondContact NE2-OG 3.21Å; L294-S296 VanDerWaalsContact C-N 3.26Å; L294-S296 PolarHBondContact O-N 2.77Å; S296-K300 WeakPolarHBondContact O-CD 3.37Å; S296-K300 VanDerWaalsContact O-CG 3.32Å; S296-K300 WeakPolarHBondContact O-CG 3.28Å |
| 297 | W | 88.6 | Confident | 85 | Confident | 57 Ų | 57 | 63 Ų | 63 | 22% | 0.216 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.4 | -44.8 | 174.1 | -178.1 | 99.7 | 0 | 0 | 0 | 110.7 | W192 V293 L294 R295 K300 N301 A307 W310 | W192-W297 AromaticContact CD1-CE2 3.9Å; W192-W297 AromaticContact CD1-CH2 3.35Å; W192-W297 AromaticContact CD1-CZ2 3.35Å; W192-W297 AromaticContact CD1-CZ3 3.92Å; W192-W297 AromaticContact NE1-CH2 3.22Å; W192-W297 AromaticContact NE1-CZ2 3.17Å; V293-W297 HydrophobicContact CG1-CB 4.35Å; V293-W297 HydrophobicContact CG1-CD2 4.01Å; V293-W297 HydrophobicContact CG1-CE3 3.24Å; V293-W297 HydrophobicContact CG1-CG 4.49Å; V293-W297 HydrophobicContact CG1-CZ3 3.86Å; L294-W297 HydrophobicContact CB-CB 4.14Å; L294-W297 WeakPolarHBondContact O-CA 3.46Å; L294-W297 WeakPolarHBondContact O-CB 3.32Å; L294-W297 PolarHBondContact O-N 3.06Å; R295-W297 VanDerWaalsContact C-N 3.27Å; R295-W297 PolarHBondContact O-N 3.35Å; W297-K300 PolarHBondContact O-N 2.99Å; W297-N301 HydrophobicContact CD2-CB 4.39Å; W297-N301 HydrophobicContact CE3-CB 4.29Å; W297-N301 HydrophobicContact CH2-CB 4.09Å; W297-N301 HydrophobicContact CZ2-CB 4.17Å; W297-N301 WeakPolarHBondContact CZ2-ND2 3.15Å; W297-N301 HydrophobicContact CZ3-CB 4.16Å; W297-N301 PolarHBondContact NE1-ND2 2.8Å; W297-N301 VanDerWaalsContact NE1-ND2 3.13Å; W297-N301 WeakPolarHBondContact O-CB 3.47Å; W297-N301 PolarHBondContact O-N 3.45Å; W297-N301 PolarHBondContact O-ND2 2.83Å; W297-A307 HydrophobicContact CZ3-CB 4.26Å; W297-W310 HydrophobicContact CZ3-CH2 4.01Å; W297-W310 HydrophobicContact CZ3-CZ3 4.13Å |
| 298 | Y | 89.5 | Confident | 86.2 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 179.7 | 174.3 | -107.3 | 0 | 0 | 0 | 112 | M236 I243 L294 R295 K300 N301 K302 A307 W310 | M236-Y298 HydrophobicContact CE-CD1 3.39Å; M236-Y298 HydrophobicContact CE-CD2 4.3Å; M236-Y298 HydrophobicContact CE-CE1 4.3Å; M236-Y298 HydrophobicContact CE-CG 3.37Å; M236-Y298 HydrophobicContact SD-CD1 4.42Å; I243-Y298 HydrophobicContact CD1-CE1 4.03Å; I243-Y298 HydrophobicContact CD1-CE2 4.12Å; I243-Y298 WeakPolarHBondContact CD1-OH 3.41Å; L294-Y298 PolarHBondContact O-N 3.01Å; R295-Y298 PolarHBondContact O-N 2.99Å; Y298-K300 PolarHBondContact O-N 3.24Å; Y298-N301 CarbonylContact O-C 3.54Å; Y298-N301 PolarHBondContact O-N 2.81Å; Y298-N301 VanDerWaalsContact O-N 3.11Å; Y298-K302 HydrophobicContact CD2-CB 4.45Å; Y298-K302 HydrophobicContact CE1-CB 4.44Å; Y298-K302 HydrophobicContact CE2-CB 4.1Å; Y298-K302 WeakPolarHBondContact O-CA 3.49Å; Y298-K302 VanDerWaalsContact O-CB 3.26Å; Y298-K302 WeakPolarHBondContact O-CB 3.47Å; Y298-K302 PolarHBondContact O-N 3.28Å; Y298-A307 HydrophobicContact CD2-CB 4.2Å; Y298-A307 HydrophobicContact CE2-CB 4.28Å; Y298-W310 AromaticContact CD2-CE3 3.48Å; Y298-W310 HydrophobicContact CD2-CE3 3.48Å; Y298-W310 VanDerWaalsContact CD2-CE3 3.48Å; Y298-W310 AromaticContact CD2-CZ3 3.68Å; Y298-W310 HydrophobicContact CD2-CZ3 3.68Å; Y298-W310 HydrophobicContact CE2-CB 4.29Å; Y298-W310 HydrophobicContact CE2-CD2 4.35Å; Y298-W310 AromaticContact CE2-CE3 3.48Å; Y298-W310 HydrophobicContact CE2-CE3 3.48Å; Y298-W310 VanDerWaalsContact CE2-CE3 3.48Å; Y298-W310 HydrophobicContact CE2-CZ3 4.16Å |
| 299 | E | 89.8 | Confident | 87.1 | Confident | 111 Ų | 111 | 64 Ų | 64 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.7 | -35.8 | -179.6 | -75 | 173.2 | -175.6 | 0 | 0 | 112.8 | R295 | R295-E299 WeakPolarHBondContact CG-OE1 3.39Å; R295-E299 WeakPolarHBondContact O-CG 3.37Å; R295-E299 PolarHBondContact O-N 2.93Å |
| 300 | K | 90.5 | Very high | 87.6 | Confident | 151 Ų | 151 | 63.6 Ų | 63.6 | 66% | 0.657 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -71.1 | -42.3 | 174.5 | -68.5 | 175.2 | -176.3 | -178.1 | 0 | 111.6 | S296 W297 Y298 H303 | S296-K300 WeakPolarHBondContact O-CD 3.37Å; S296-K300 VanDerWaalsContact O-CG 3.32Å; S296-K300 WeakPolarHBondContact O-CG 3.28Å; W297-K300 PolarHBondContact O-N 2.99Å; Y298-K300 PolarHBondContact O-N 3.24Å; K300-H303 PolarHBondContact O-CE1 3.14Å; K300-H303 PolarHBondContact O-ND1 3.3Å |
| 301 | N | 88.8 | Confident | 87.6 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -103.8 | 4.2 | -168.8 | -63.3 | -33.2 | 0 | 0 | 0 | 114.9 | W297 Y298 H303 I304 A307 | W297-N301 HydrophobicContact CD2-CB 4.39Å; W297-N301 HydrophobicContact CE3-CB 4.29Å; W297-N301 HydrophobicContact CH2-CB 4.09Å; W297-N301 HydrophobicContact CZ2-CB 4.17Å; W297-N301 WeakPolarHBondContact CZ2-ND2 3.15Å; W297-N301 HydrophobicContact CZ3-CB 4.16Å; W297-N301 PolarHBondContact NE1-ND2 2.8Å; W297-N301 VanDerWaalsContact NE1-ND2 3.13Å; W297-N301 WeakPolarHBondContact O-CB 3.47Å; W297-N301 PolarHBondContact O-N 3.45Å; W297-N301 PolarHBondContact O-ND2 2.83Å; Y298-N301 CarbonylContact O-C 3.54Å; Y298-N301 PolarHBondContact O-N 2.81Å; Y298-N301 VanDerWaalsContact O-N 3.11Å; N301-H303 PolarHBondContact O-N 3.1Å; N301-I304 PolarHBondContact O-N 3.45Å; N301-A307 WeakPolarHBondContact O-CB 3.43Å |
| 302 | K | 88.4 | Confident | 87.6 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 54% | 0.535 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -16 | -179.3 | 66.3 | 178.1 | -177.1 | 178.7 | 0 | 114.5 | Y298 S308 | Y298-K302 HydrophobicContact CD2-CB 4.45Å; Y298-K302 HydrophobicContact CE1-CB 4.44Å; Y298-K302 HydrophobicContact CE2-CB 4.1Å; Y298-K302 WeakPolarHBondContact O-CA 3.49Å; Y298-K302 VanDerWaalsContact O-CB 3.26Å; Y298-K302 WeakPolarHBondContact O-CB 3.47Å; Y298-K302 PolarHBondContact O-N 3.28Å; K302-S308 WeakPolarHBondContact O-CA 3.27Å; K302-S308 WeakPolarHBondContact O-CB 3.49Å; K302-S308 PolarHBondContact O-N 3.28Å |
| 303 | H | 85.8 | Confident | 87.4 | Confident | 139 Ų | 139 | 69.4 Ų | 69.4 | 64% | 0.644 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -9.3 | 177.6 | 63.4 | -80.7 | 0 | 0 | 0 | 112.7 | K300 N301 | K300-H303 PolarHBondContact O-CE1 3.14Å; K300-H303 PolarHBondContact O-ND1 3.3Å; N301-H303 PolarHBondContact O-N 3.1Å |
| 304 | I | 87.8 | Confident | 87.1 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -104 | 141.1 | -176.7 | -52.3 | 177.4 | 0 | 0 | 0 | 108.9 | N301 A307 S308 | N301-I304 PolarHBondContact O-N 3.45Å; I304-A307 PolarHBondContact O-N 2.89Å; I304-S308 PolarHBondContact O-N 3.34Å; I304-S308 VanDerWaalsContact O-N 3.09Å |
| 305 | F | 79.9 | Confident | 86.6 | Confident | 164 Ų | 164 | 75.8 Ų | 75.8 | 72% | 0.719 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 135.5 | 173.5 | 179.9 | -93.6 | 0 | 0 | 0 | 110.7 | ||
| 306 | P | 82.9 | Confident | 86 | Confident | 34 Ų | 34 | 79.4 Ų | 79.4 | 22% | 0.221 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -92.6 | -4.9 | 8.1 | 35.8 | -36.2 | 0 | 0 | 0 | 115.4 | S308 R309 W310 | P306-S308 PolarHBondContact O-N 3.48Å; P306-R309 PolarHBondContact O-N 3.29Å; P306-R309 VanDerWaalsContact O-N 3.1Å; P306-W310 HydrophobicContact CG-CZ2 4.21Å; P306-W310 PolarHBondContact O-NE1 3.04Å |
| 307 | A | 84.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.008 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -62.5 | -27.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W297 Y298 N301 I304 R309 W310 | W297-A307 HydrophobicContact CZ3-CB 4.26Å; Y298-A307 HydrophobicContact CD2-CB 4.2Å; Y298-A307 HydrophobicContact CE2-CB 4.28Å; N301-A307 WeakPolarHBondContact O-CB 3.43Å; I304-A307 PolarHBondContact O-N 2.89Å; A307-R309 PolarHBondContact O-N 2.94Å; A307-W310 HydrophobicContact CB-CD2 4.32Å; A307-W310 HydrophobicContact CB-CE3 4.01Å; A307-W310 HydrophobicContact CB-CH2 4.11Å; A307-W310 HydrophobicContact CB-CZ2 4.43Å; A307-W310 HydrophobicContact CB-CZ3 3.91Å; A307-W310 PolarHBondContact O-N 3.32Å |
| 308 | S | 85.4 | Confident | 84.2 | Confident | 67 Ų | 67 | 88.3 Ų | 88.3 | 47% | 0.469 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -63.2 | -18.8 | 175.3 | 62.5 | 0 | 0 | 0 | 0 | 115.3 | K302 I304 P306 | K302-S308 WeakPolarHBondContact O-CA 3.27Å; K302-S308 WeakPolarHBondContact O-CB 3.49Å; K302-S308 PolarHBondContact O-N 3.28Å; I304-S308 PolarHBondContact O-N 3.34Å; I304-S308 VanDerWaalsContact O-N 3.09Å; P306-S308 PolarHBondContact O-N 3.48Å |
| 309 | R | 85.5 | Confident | 83 | Confident | 103 Ų | 103 | 89.4 Ų | 89.4 | 39% | 0.389 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -88.5 | -15.1 | 179.4 | -171.2 | 169 | 166.1 | 88 | -3.1 | 112.9 | D241 P306 A307 E311 | D241-R309 HydrophobicContact CB-CG 4.45Å; D241-R309 VanDerWaalsContact CG-NE 3.32Å; D241-R309 WeakPolarHBondContact OD1-CD 3.33Å; D241-R309 IonicContact OD1-NE 3.52Å; D241-R309 PolarHBondContact OD1-NE 3.14Å; D241-R309 IonicContact OD2-CZ 3.57Å; D241-R309 IonicContact OD2-NE 3.6Å; D241-R309 PolarHBondContact OD2-NE 3.2Å; D241-R309 IonicContact OD2-NH2 2.91Å; D241-R309 PolarHBondContact OD2-NH2 3.43Å; P306-R309 PolarHBondContact O-N 3.29Å; P306-R309 VanDerWaalsContact O-N 3.1Å; A307-R309 PolarHBondContact O-N 2.94Å; R309-E311 PolarHBondContact O-N 3.4Å |
| 310 | W | 88.9 | Confident | 81.4 | Confident | 11 Ų | 11 | 91.6 Ų | 91.6 | 4% | 0.042 | 45% | 0.449 | C | S | . | . | trans | -73.1 | 126.2 | -173.3 | -57.9 | -15.7 | 0 | 0 | 0 | 111.3 | I238 D241 I243 K291 V293 W297 Y298 P306 A307 | I238-W310 HydrophobicContact CB-CD2 4.47Å; I238-W310 HydrophobicContact CD1-CE3 3.96Å; I238-W310 HydrophobicContact CD1-CH2 4.37Å; I238-W310 HydrophobicContact CD1-CZ3 3.8Å; I238-W310 HydrophobicContact CG1-CD2 4.04Å; I238-W310 HydrophobicContact CG1-CE3 3.74Å; I238-W310 HydrophobicContact CG1-CZ3 4.09Å; I238-W310 HydrophobicContact CG2-CD2 3.84Å; I238-W310 HydrophobicContact CG2-CE3 4.41Å; I238-W310 HydrophobicContact CG2-CG 3.9Å; D241-W310 CarbonylContact O-C 3.31Å; D241-W310 VanDerWaalsContact O-CA 3.25Å; D241-W310 WeakPolarHBondContact O-CA 3.22Å; I243-W310 HydrophobicContact CD1-CB 4.02Å; I243-W310 HydrophobicContact CG1-CB 3.92Å; K291-W310 HydrophobicContact CD-CZ2 3.94Å; V293-W310 HydrophobicContact CG1-CZ3 4.42Å; V293-W310 HydrophobicContact CG2-CH2 3.84Å; V293-W310 HydrophobicContact CG2-CZ3 3.98Å; W297-W310 HydrophobicContact CZ3-CH2 4.01Å; W297-W310 HydrophobicContact CZ3-CZ3 4.13Å; Y298-W310 AromaticContact CD2-CE3 3.48Å; Y298-W310 HydrophobicContact CD2-CE3 3.48Å; Y298-W310 VanDerWaalsContact CD2-CE3 3.48Å; Y298-W310 AromaticContact CD2-CZ3 3.68Å; Y298-W310 HydrophobicContact CD2-CZ3 3.68Å; Y298-W310 HydrophobicContact CE2-CB 4.29Å; Y298-W310 HydrophobicContact CE2-CD2 4.35Å; Y298-W310 AromaticContact CE2-CE3 3.48Å; Y298-W310 HydrophobicContact CE2-CE3 3.48Å; Y298-W310 VanDerWaalsContact CE2-CE3 3.48Å; Y298-W310 HydrophobicContact CE2-CZ3 4.16Å; P306-W310 HydrophobicContact CG-CZ2 4.21Å; P306-W310 PolarHBondContact O-NE1 3.04Å; A307-W310 HydrophobicContact CB-CD2 4.32Å; A307-W310 HydrophobicContact CB-CE3 4.01Å; A307-W310 HydrophobicContact CB-CH2 4.11Å; A307-W310 HydrophobicContact CB-CZ2 4.43Å; A307-W310 HydrophobicContact CB-CZ3 3.91Å; A307-W310 PolarHBondContact O-N 3.32Å | ||
| 311 | E | 86.1 | Confident | 79.7 | Confident | 61 Ų | 61 | 91.5 Ų | 91.5 | 29% | 0.285 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 150.3 | 176.4 | -69 | -176.9 | -170.9 | 0 | 0 | 110.2 | D241 L242 I243 K261 R309 K317 W319 | D241-E311 PolarHBondContact O-N 2.86Å; L242-E311 CarbonylContact C-O 3.58Å; L242-E311 WeakPolarHBondContact CA-O 3.35Å; L242-E311 HydrophobicContact CD2-CB 4.29Å; I243-E311 PolarHBondContact N-O 3.47Å; K261-E311 VanDerWaalsContact CE-OE1 3.28Å; K261-E311 WeakPolarHBondContact CE-OE1 3.42Å; K261-E311 VanDerWaalsContact NZ-CD 3.33Å; K261-E311 IonicContact NZ-OE1 3.82Å; K261-E311 PolarHBondContact NZ-OE1 2.97Å; R309-E311 PolarHBondContact O-N 3.4Å; E311-K317 IonicContact OE2-NZ 3.11Å; E311-K317 PolarHBondContact OE2-NZ 2.98Å; E311-W319 WeakPolarHBondContact OE2-CZ2 3.17Å |
| 312 | A | 87.7 | Confident | 77.6 | Confident | 76 Ų | 76 | 97.5 Ų | 97.5 | 63% | 0.628 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 137.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | D314 | A312-D314 PolarHBondContact O-N 3.44Å |
| 313 | Y | 86.7 | Confident | 75.2 | Confident | 28 Ų | 28 | 97.6 Ų | 97.6 | 11% | 0.11 | 48% | 0.48 | C | S | . | . | trans | -63.6 | 125.1 | 174.3 | 177.1 | -104 | 0 | 0 | 0 | 110.7 | L242 I243 L244 F253 A258 P315 | L242-Y313 HydrophobicContact CD1-CD2 4.04Å; I243-Y313 WeakPolarHBondContact O-CB 3.36Å; I243-Y313 PolarHBondContact O-N 3.43Å; L244-Y313 HydrophobicContact CD2-CD2 4.43Å; L244-Y313 HydrophobicContact CD2-CG 4.29Å; F253-Y313 HydrophobicContact CD1-CD1 4.38Å; F253-Y313 AromaticContact CD1-CE1 3.89Å; F253-Y313 HydrophobicContact CD1-CE1 3.89Å; F253-Y313 HydrophobicContact CD1-CE2 4.15Å; F253-Y313 AromaticContact CD1-CZ 3.75Å; F253-Y313 AromaticContact CE1-CD1 3.54Å; F253-Y313 HydrophobicContact CE1-CD1 3.54Å; F253-Y313 HydrophobicContact CE1-CD2 4.24Å; F253-Y313 AromaticContact CE1-CE1 3.43Å; F253-Y313 HydrophobicContact CE1-CE1 3.43Å; F253-Y313 VanDerWaalsContact CE1-CE1 3.43Å; F253-Y313 HydrophobicContact CE1-CE2 4.17Å; F253-Y313 AromaticContact CE1-CG 3.92Å; F253-Y313 HydrophobicContact CE1-CG 3.92Å; F253-Y313 AromaticContact CE1-CZ 3.75Å; F253-Y313 HydrophobicContact CZ-CD1 4.43Å; A258-Y313 HydrophobicContact CB-CE2 3.65Å; Y313-P315 HydrophobicContact CD1-CG 4.31Å; Y313-P315 HydrophobicContact CE1-CB 4.22Å; Y313-P315 HydrophobicContact CE1-CG 3.8Å | ||
| 314 | D | 83.1 | Confident | 73.2 | Confident | 78 Ų | 78 | 96.9 Ų | 96.9 | 42% | 0.417 | 48% | 0.48 | S | S | . | . | trans | -117.2 | 117.5 | 172.3 | -172.6 | -15.6 | 0 | 0 | 0 | 108.4 | A312 E316 K317 | A312-D314 PolarHBondContact O-N 3.44Å; D314-E316 PolarHBondContact O-N 3.33Å; D314-E316 PolarHBondContact OD1-N 2.67Å; D314-E316 VanDerWaalsContact OD1-N 3.1Å; D314-K317 HydrophobicContact CB-CB 4.01Å; D314-K317 PolarHBondContact O-N 2.99Å | ||
| 315 | P | 79.9 | Confident | 70.6 | Confident | 77 Ų | 77 | 107.5 Ų | 107.5 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.6 | 179.6 | -22 | 30.9 | 0 | 0 | 0 | 114.6 | Y313 | Y313-P315 HydrophobicContact CD1-CG 4.31Å; Y313-P315 HydrophobicContact CE1-CB 4.22Å; Y313-P315 HydrophobicContact CE1-CG 3.8Å |
| 316 | E | 77.3 | Confident | 70.2 | Confident | 175 Ų | 175 | 104.7 Ų | 104.7 | 82% | 0.818 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -22.7 | -176.4 | -61.4 | -169 | 160.8 | 0 | 0 | 112.4 | D314 K318 | D314-E316 PolarHBondContact O-N 3.33Å; D314-E316 PolarHBondContact OD1-N 2.67Å; D314-E316 VanDerWaalsContact OD1-N 3.1Å; E316-K318 PolarHBondContact O-N 3.07Å; E316-K318 VanDerWaalsContact O-N 3.13Å |
| 317 | K | 73.8 | Confident | 69.5 | Low | 97 Ų | 97 | 108.4 Ų | 108.4 | 42% | 0.422 | 52% | 0.519 | S | S | . | . | trans | -81.5 | 95.5 | -176.4 | -166.2 | 176.3 | -177.5 | -178.6 | 0 | 110.6 | E311 D314 W319 | E311-K317 IonicContact OE2-NZ 3.11Å; E311-K317 PolarHBondContact OE2-NZ 2.98Å; D314-K317 HydrophobicContact CB-CB 4.01Å; D314-K317 PolarHBondContact O-N 2.99Å; K317-W319 HydrophobicContact CD-CZ2 4.05Å; K317-W319 VanDerWaalsContact CE-CZ2 3.41Å | ||
| 318 | K | 64.8 | Low | 68.6 | Low | 190 Ų | 190 | 114.4 Ų | 114.4 | 83% | 0.826 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -84 | 124.5 | 173.1 | -64.8 | -178.5 | -177 | 175.4 | 0 | 110.2 | E316 | E316-K318 PolarHBondContact O-N 3.07Å; E316-K318 VanDerWaalsContact O-N 3.13Å |
| 319 | W | 64.8 | Low | 67.7 | Low | 65 Ų | 65 | 117.2 Ų | 117.2 | 25% | 0.246 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -90.8 | 125.7 | 172.3 | -62.7 | 77.4 | 0 | 0 | 0 | 109 | R259 K261 E311 K317 | R259-W319 HydrophobicContact CB-CB 4.32Å; K261-W319 HydrophobicContact CB-CE3 4.3Å; K261-W319 HydrophobicContact CB-CZ3 4.35Å; K261-W319 HydrophobicContact CD-CH2 3.8Å; K261-W319 HydrophobicContact CD-CZ2 4.36Å; K261-W319 HydrophobicContact CD-CZ3 3.97Å; K261-W319 HydrophobicContact CG-CD2 4.09Å; K261-W319 HydrophobicContact CG-CE3 3.69Å; K261-W319 HydrophobicContact CG-CH2 3.48Å; K261-W319 VanDerWaalsContact CG-CH2 3.48Å; K261-W319 HydrophobicContact CG-CZ2 3.78Å; K261-W319 HydrophobicContact CG-CZ3 3.42Å; K261-W319 VanDerWaalsContact CG-CZ3 3.42Å; E311-W319 WeakPolarHBondContact OE2-CZ2 3.17Å; K317-W319 HydrophobicContact CD-CZ2 4.05Å; K317-W319 VanDerWaalsContact CE-CZ2 3.41Å |
| 320 | D | 56.5 | Low | 66.5 | Low | 156 Ų | 156 | 118.1 Ų | 118.1 | 83% | 0.834 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 156.2 | 174.8 | -74 | -40.2 | 0 | 0 | 0 | 111.4 | Y322 | D320-Y322 PolarHBondContact O-N 3.48Š|
| 321 | K | 54.4 | Low | 65.1 | Low | 149 Ų | 149 | 125.2 Ų | 125.2 | 65% | 0.648 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 123.4 | 178.4 | -74.3 | -174.4 | 176.4 | -171.4 | 0 | 109.6 | T323 | K321-T323 PolarHBondContact O-N 3.47Å; K321-T323 PolarHBondContact O-OG1 3.05Å |
| 322 | Y | 45.4 | Very low | 63.6 | Low | 169 Ų | 169 | 129.8 Ų | 129.8 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | trans | -57.9 | 105.7 | 171.3 | -165 | -98.4 | 0 | 0 | 0 | 108.2 | D320 I324 | D320-Y322 PolarHBondContact O-N 3.48Å; Y322-I324 HydrophobicContact CD1-CG1 3.82Å; Y322-I324 HydrophobicContact CE1-CG1 3.89Å | ||
| 323 | T | 38.5 | Very low | 61.7 | Low | 124 Ų | 124 | 133.9 Ų | 133.9 | 76% | 0.761 | 62% | 0.619 | S | S | * | * | trans | -90.6 | 106.4 | 174.1 | -10.5 | 0 | 0 | 0 | 0 | 106.6 | K321 R325 | K321-T323 PolarHBondContact O-N 3.47Å; K321-T323 PolarHBondContact O-OG1 3.05Å; T323-R325 PolarHBondContact O-N 3.34Å | ||
| 324 | I | 43.9 | Very low | 59.6 | Low | 125 Ų | 125 | 142.8 Ų | 142.8 | 64% | 0.641 | 66% | 0.661 | S | S | * | * | trans | -64.4 | 117.6 | 168.1 | -55.8 | 167.1 | 0 | 0 | 0 | 105.8 | Y322 | Y322-I324 HydrophobicContact CD1-CG1 3.82Å; Y322-I324 HydrophobicContact CE1-CG1 3.89Å | ||
| 325 | R | 33.1 | Very low | 57.5 | Low | 308 Ų | 308 | 148.6 Ų | 148.6 | 100% | 1.162 | 68% | 0.684 | S | S | * | * | trans | -95.7 | 0 | 168.7 | -92.8 | -164.8 | 179.2 | -171.4 | 1.3 | 110.5 | T323 | T323-R325 PolarHBondContact O-N 3.34Š|
Retrieved 325 of 325 residues in 84 ms
(Link to these results)