| 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 | 47 | Very low | 71.4 | Confident | 235 Ų | 235 | 132.6 Ų | 132.6 | 100% | 1.158 | 67% | 0.669 | S | S | * | * | 0 | 88.1 | 0 | -106.8 | 160 | 67.9 | 0 | 0 | 108.1 | |||||
| 2 | E | 54.9 | Low | 72.8 | Confident | 169 Ų | 169 | 129.2 Ų | 129.2 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | trans | -63.3 | 136 | -176 | -68.8 | 88.6 | 174.1 | 0 | 0 | 113.7 | ||||
| 3 | S | 59.1 | Low | 74.1 | Confident | 91 Ų | 91 | 128.4 Ų | 128.4 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | trans | 28.5 | 91.4 | 142.7 | 65.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 4 | R | 62.5 | Low | 75.2 | Confident | 220 Ų | 220 | 125.3 Ų | 125.3 | 83% | 0.83 | 64% | 0.641 | S | S | * | * | trans | -120 | 2.4 | 157.8 | -80.4 | -177.4 | 162.2 | -178.6 | -4.8 | 114.7 | P7 | R4-P7 WeakPolarHBondContact O-CD 3.24Š| ||
| 5 | S | 68.4 | Low | 76.2 | Confident | 54 Ų | 54 | 123.9 Ų | 123.9 | 38% | 0.378 | 64% | 0.635 | S | S | . | * | trans | -83.9 | -20.9 | -172 | 58 | 0 | 0 | 0 | 0 | 115.1 | Q8 F9 | S5-Q8 PolarHBondContact O-N 2.67Å; S5-Q8 VanDerWaalsContact O-N 3.13Å; S5-F9 WeakPolarHBondContact O-CD2 3.45Å; S5-F9 PolarHBondContact O-N 2.75Å | ||
| 6 | K | 70.9 | Confident | 77 | Confident | 161 Ų | 161 | 124.3 Ų | 124.3 | 70% | 0.7 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -55 | -47.4 | -177 | -67 | -177 | 177.9 | 179.6 | 0 | 114.4 | Q8 | K6-Q8 VanDerWaalsContact C-N 3.31Å; K6-Q8 PolarHBondContact O-N 3.46Å |
| 7 | P | 80.6 | Confident | 77.5 | Confident | 89 Ų | 89 | 120.9 Ų | 120.9 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.4 | -26.7 | 179 | 27.7 | -35 | 0 | 0 | 0 | 113.2 | R4 L10 A11 | R4-P7 WeakPolarHBondContact O-CD 3.24Å; P7-L10 PolarHBondContact O-N 3.03Å; P7-A11 PolarHBondContact O-N 3.01Å; P7-A11 VanDerWaalsContact O-N 3.1Å |
| 8 | Q | 82.6 | Confident | 78 | Confident | 127 Ų | 127 | 118.7 Ų | 118.7 | 59% | 0.593 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.9 | -42.2 | 179.1 | -65.9 | -177.8 | -21.4 | 0 | 0 | 111.5 | S5 K6 L10 A11 I12 | S5-Q8 PolarHBondContact O-N 2.67Å; S5-Q8 VanDerWaalsContact O-N 3.13Å; K6-Q8 VanDerWaalsContact C-N 3.31Å; K6-Q8 PolarHBondContact O-N 3.46Å; Q8-L10 VanDerWaalsContact C-N 3.33Å; Q8-L10 PolarHBondContact O-N 2.75Å; Q8-A11 PolarHBondContact O-N 3.41Å; Q8-I12 VanDerWaalsContact O-CG1 3.3Å; Q8-I12 WeakPolarHBondContact O-CG1 3.47Å; Q8-I12 PolarHBondContact O-N 3.31Å |
| 9 | F | 85.3 | Confident | 78.1 | Confident | 137 Ų | 137 | 117.3 Ų | 117.3 | 60% | 0.601 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.5 | -39.1 | 176.8 | -72 | -66.7 | 0 | 0 | 0 | 112.5 | S5 I12 L13 | S5-F9 WeakPolarHBondContact O-CD2 3.45Å; S5-F9 PolarHBondContact O-N 2.75Å; F9-I12 PolarHBondContact O-N 3.11Å; F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 PolarHBondContact O-N 2.8Å |
| 10 | L | 86.5 | Confident | 78 | Confident | 117 Ų | 117 | 118.6 Ų | 118.6 | 61% | 0.613 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.3 | -41.9 | 175.7 | -67.2 | 178 | 0 | 0 | 0 | 111.5 | P7 Q8 I12 L13 T14 | P7-L10 PolarHBondContact O-N 3.03Å; Q8-L10 VanDerWaalsContact C-N 3.33Å; Q8-L10 PolarHBondContact O-N 2.75Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.01Å; L10-L13 PolarHBondContact O-N 3.1Å; L10-T14 WeakPolarHBondContact O-CG2 3.37Å; L10-T14 PolarHBondContact O-N 3.42Å; L10-T14 PolarHBondContact O-OG1 2.91Å |
| 11 | A | 87.3 | Confident | 77.9 | Confident | 59 Ų | 59 | 116.9 Ų | 116.9 | 49% | 0.488 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.4 | -37 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P7 Q8 T14 L15 | P7-A11 PolarHBondContact O-N 3.01Å; P7-A11 VanDerWaalsContact O-N 3.1Å; Q8-A11 PolarHBondContact O-N 3.41Å; A11-T14 PolarHBondContact O-OG1 3.15Å; A11-L15 WeakPolarHBondContact O-CB 3.33Å; A11-L15 PolarHBondContact O-N 3.42Å |
| 12 | I | 89.1 | Confident | 78.7 | Confident | 91 Ų | 91 | 111.5 Ų | 111.5 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.2 | -43.7 | 175.8 | -66.9 | 164.1 | 0 | 0 | 0 | 110.3 | Q8 F9 L10 T14 L15 F16 | Q8-I12 VanDerWaalsContact O-CG1 3.3Å; Q8-I12 WeakPolarHBondContact O-CG1 3.47Å; Q8-I12 PolarHBondContact O-N 3.31Å; F9-I12 PolarHBondContact O-N 3.11Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.01Å; I12-T14 VanDerWaalsContact C-N 3.34Å; I12-T14 PolarHBondContact O-N 3.13Å; I12-L15 WeakPolarHBondContact O-CB 3.37Å; I12-L15 PolarHBondContact O-N 3.09Å; I12-F16 HydrophobicContact CG2-CD2 3.7Å; I12-F16 HydrophobicContact CG2-CE2 3.81Å; I12-F16 WeakPolarHBondContact O-CD2 3.18Å; I12-F16 PolarHBondContact O-N 3.45Å |
| 13 | L | 88.8 | Confident | 79 | Confident | 119 Ų | 119 | 106.8 Ų | 106.8 | 62% | 0.623 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.7 | -42 | 179.8 | -170.9 | 73.5 | 0 | 0 | 0 | 111.8 | F9 L10 F16 S17 | F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 PolarHBondContact O-N 2.8Å; L10-L13 PolarHBondContact O-N 3.1Å; L13-F16 PolarHBondContact O-N 3.48Å; L13-S17 PolarHBondContact O-N 3.35Å |
| 14 | T | 90.1 | Very high | 79 | Confident | 85 Ų | 85 | 109 Ų | 109 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.5 | -41.6 | 176.6 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | L10 A11 I12 F16 S17 V18 | L10-T14 WeakPolarHBondContact O-CG2 3.37Å; L10-T14 PolarHBondContact O-N 3.42Å; L10-T14 PolarHBondContact O-OG1 2.91Å; A11-T14 PolarHBondContact O-OG1 3.15Å; I12-T14 VanDerWaalsContact C-N 3.34Å; I12-T14 PolarHBondContact O-N 3.13Å; T14-F16 PolarHBondContact O-N 3.25Å; T14-S17 PolarHBondContact O-N 2.88Å; T14-S17 PolarHBondContact O-OG 3.15Å; T14-V18 WeakPolarHBondContact O-CG2 3.4Å; T14-V18 PolarHBondContact O-N 3.12Å; T14-V18 VanDerWaalsContact O-N 3.11Å |
| 15 | L | 90.5 | Very high | 78.7 | Confident | 104 Ų | 104 | 102 Ų | 102 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.3 | -45.8 | 175.1 | -170.7 | 111.4 | 0 | 0 | 0 | 111.8 | A11 I12 S17 V18 L19 | A11-L15 WeakPolarHBondContact O-CB 3.33Å; A11-L15 PolarHBondContact O-N 3.42Å; I12-L15 WeakPolarHBondContact O-CB 3.37Å; I12-L15 PolarHBondContact O-N 3.09Å; L15-S17 PolarHBondContact O-N 3.01Å; L15-V18 PolarHBondContact O-N 2.96Å; L15-L19 HydrophobicContact CD2-CD1 3.9Å; L15-L19 HydrophobicContact CG-CD1 4.28Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.05Å |
| 16 | F | 88.1 | Confident | 77.8 | Confident | 131 Ų | 131 | 110 Ų | 110 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.5 | -41.2 | 176.6 | -93.9 | -79.6 | 0 | 0 | 0 | 112.4 | I12 L13 T14 V18 L19 F20 | I12-F16 HydrophobicContact CG2-CD2 3.7Å; I12-F16 HydrophobicContact CG2-CE2 3.81Å; I12-F16 WeakPolarHBondContact O-CD2 3.18Å; I12-F16 PolarHBondContact O-N 3.45Å; L13-F16 PolarHBondContact O-N 3.48Å; T14-F16 PolarHBondContact O-N 3.25Å; F16-V18 VanDerWaalsContact C-N 3.32Å; F16-V18 PolarHBondContact O-N 3.46Å; F16-L19 PolarHBondContact O-N 2.92Å; F16-F20 WeakPolarHBondContact O-CB 3.46Å; F16-F20 PolarHBondContact O-N 2.92Å |
| 17 | S | 85.8 | Confident | 77.2 | Confident | 66 Ų | 66 | 107.9 Ų | 107.9 | 46% | 0.462 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64 | -35.7 | 177.4 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | L13 T14 L15 S21 | L13-S17 PolarHBondContact O-N 3.35Å; T14-S17 PolarHBondContact O-N 2.88Å; T14-S17 PolarHBondContact O-OG 3.15Å; L15-S17 PolarHBondContact O-N 3.01Å; S17-S21 PolarHBondContact O-N 3.39Å; S17-S21 VanDerWaalsContact O-N 3.15Å; S17-S21 PolarHBondContact O-OG 2.88Å |
| 18 | V | 86.1 | Confident | 75.9 | Confident | 81 Ų | 81 | 111.7 Ų | 111.7 | 49% | 0.491 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.1 | -44.1 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | T14 L15 F16 S21 Q22 | T14-V18 WeakPolarHBondContact O-CG2 3.4Å; T14-V18 PolarHBondContact O-N 3.12Å; T14-V18 VanDerWaalsContact O-N 3.11Å; L15-V18 PolarHBondContact O-N 2.96Å; F16-V18 VanDerWaalsContact C-N 3.32Å; F16-V18 PolarHBondContact O-N 3.46Å; V18-S21 PolarHBondContact O-N 2.85Å; V18-Q22 PolarHBondContact O-N 2.75Å |
| 19 | L | 80.3 | Confident | 74.7 | Confident | 92 Ų | 92 | 116.5 Ų | 116.5 | 48% | 0.482 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64 | -41.4 | 177.9 | -72.4 | 170.7 | 0 | 0 | 0 | 112.3 | L15 F16 S21 Q22 S23 | L15-L19 HydrophobicContact CD2-CD1 3.9Å; L15-L19 HydrophobicContact CG-CD1 4.28Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.05Å; F16-L19 PolarHBondContact O-N 2.92Å; L19-S21 VanDerWaalsContact C-N 3.27Å; L19-S21 PolarHBondContact O-N 3.38Å; L19-Q22 PolarHBondContact O-N 3.42Å; L19-Q22 VanDerWaalsContact O-N 3.15Å; L19-S23 PolarHBondContact O-N 2.71Å; L19-S23 VanDerWaalsContact O-N 3.16Å |
| 20 | F | 77.4 | Confident | 72.9 | Confident | 144 Ų | 144 | 112.5 Ų | 112.5 | 63% | 0.632 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.8 | -30.7 | 178.7 | -142.6 | -89.5 | 0 | 0 | 0 | 112.3 | F16 Q22 S23 L24 | F16-F20 WeakPolarHBondContact O-CB 3.46Å; F16-F20 PolarHBondContact O-N 2.92Å; F20-Q22 VanDerWaalsContact C-N 3.3Å; F20-Q22 PolarHBondContact O-N 2.97Å; F20-S23 PolarHBondContact O-OG 3.18Å; F20-S23 VanDerWaalsContact O-OG 3.05Å; F20-L24 HydrophobicContact CD1-CD1 4.44Å |
| 21 | S | 75.4 | Confident | 71.1 | Confident | 82 Ų | 82 | 112.5 Ų | 112.5 | 57% | 0.573 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.1 | -29.6 | 173.9 | -57 | 0 | 0 | 0 | 0 | 112.1 | S17 V18 L19 | S17-S21 PolarHBondContact O-N 3.39Å; S17-S21 VanDerWaalsContact O-N 3.15Å; S17-S21 PolarHBondContact O-OG 2.88Å; V18-S21 PolarHBondContact O-N 2.85Å; L19-S21 VanDerWaalsContact C-N 3.27Å; L19-S21 PolarHBondContact O-N 3.38Å |
| 22 | Q | 62.8 | Low | 69.7 | Low | 122 Ų | 122 | 116 Ų | 116 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -79.1 | -32.9 | 177.8 | -77.5 | 173.1 | -3.1 | 0 | 0 | 113.3 | V18 L19 F20 L24 A25 | V18-Q22 PolarHBondContact O-N 2.75Å; L19-Q22 PolarHBondContact O-N 3.42Å; L19-Q22 VanDerWaalsContact O-N 3.15Å; F20-Q22 VanDerWaalsContact C-N 3.3Å; F20-Q22 PolarHBondContact O-N 2.97Å; Q22-L24 PolarHBondContact O-N 2.77Å; Q22-A25 PolarHBondContact O-N 3.28Å; Q22-A25 VanDerWaalsContact O-N 3.12Å |
| 23 | S | 61.2 | Low | 67.9 | Low | 71 Ų | 71 | 116.7 Ų | 116.7 | 50% | 0.497 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67.4 | -25.7 | -179.4 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | L19 F20 A25 | L19-S23 PolarHBondContact O-N 2.71Å; L19-S23 VanDerWaalsContact O-N 3.16Å; F20-S23 PolarHBondContact O-OG 3.18Å; F20-S23 VanDerWaalsContact O-OG 3.05Å; S23-A25 VanDerWaalsContact C-N 3.27Å; S23-A25 PolarHBondContact O-N 2.8Å |
| 24 | L | 59.2 | Low | 65.7 | Low | 138 Ų | 138 | 116.4 Ų | 116.4 | 72% | 0.723 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -14.2 | 175.2 | -77.5 | 153.4 | 0 | 0 | 0 | 113.4 | F20 Q22 | F20-L24 HydrophobicContact CD1-CD1 4.44Å; Q22-L24 PolarHBondContact O-N 2.77Å |
| 25 | A | 57 | Low | 63.8 | Low | 72 Ų | 72 | 118.6 Ų | 118.6 | 60% | 0.595 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 14.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q22 S23 P27 | Q22-A25 PolarHBondContact O-N 3.28Å; Q22-A25 VanDerWaalsContact O-N 3.12Å; S23-A25 VanDerWaalsContact C-N 3.27Å; S23-A25 PolarHBondContact O-N 2.8Å; A25-P27 WeakPolarHBondContact O-CD 3.38Å |
| 26 | W | 48.7 | Very low | 61.3 | Low | 221 Ų | 221 | 124.7 Ų | 124.7 | 84% | 0.837 | 68% | 0.683 | S | S | * | * | trans | -82.9 | 107.4 | 166.9 | -80.2 | 16 | 0 | 0 | 0 | 108.4 | L28 | W26-L28 VanDerWaalsContact C-N 3.32Å; W26-L28 PolarHBondContact O-N 3.44Å | ||
| 27 | P | 58.2 | Low | 59.4 | Low | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | trans | -61.9 | 105.3 | 168.5 | 27 | -31.6 | 0 | 0 | 0 | 106.1 | A25 Y29 | A25-P27 WeakPolarHBondContact O-CD 3.38Å; P27-Y29 PolarHBondContact O-N 3.32Å | ||
| 28 | L | 54 | Low | 57.1 | Low | 168 Ų | 168 | 130.8 Ų | 130.8 | 88% | 0.88 | 72% | 0.715 | S | S | * | * | trans | -52.6 | 110.7 | 170.3 | -174.1 | 67 | 0 | 0 | 0 | 106.2 | W26 G30 | W26-L28 VanDerWaalsContact C-N 3.32Å; W26-L28 PolarHBondContact O-N 3.44Å; L28-G30 PolarHBondContact O-N 2.89Å; L28-G30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | Y | 57.4 | Low | 55 | Low | 229 Ų | 229 | 133.5 Ų | 133.5 | 90% | 0.898 | 73% | 0.727 | S | S | * | * | trans | -20.8 | 105.5 | -175.4 | -136.7 | -103.8 | 0 | 0 | 0 | 112.8 | P27 | P27-Y29 PolarHBondContact O-N 3.32Š| ||
| 30 | G | 47.7 | Very low | 52.9 | Low | 53 Ų | 53 | 140 Ų | 140 | 55% | 0.546 | 75% | 0.745 | S | S | . | * | trans | -61.3 | 146.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L28 | L28-G30 PolarHBondContact O-N 2.89Å; L28-G30 VanDerWaalsContact O-N 3.13Å | ||
| 31 | P | 49.3 | Very low | 51.2 | Low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -62.3 | 151.1 | -171.4 | 25.5 | -34.1 | 0 | 0 | 0 | 112.1 | S33 | P31-S33 PolarHBondContact O-N 3.25Š| ||
| 32 | P | 57.1 | Low | 49.4 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -60.3 | 110.6 | -168.7 | 24.8 | -34 | 0 | 0 | 0 | 110.2 | S34 | P32-S34 PolarHBondContact O-N 2.91Š| ||
| 33 | S | 51.2 | Low | 48.7 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -58.9 | 112.1 | 171 | 52 | 0 | 0 | 0 | 0 | 108.6 | P31 V35 | P31-S33 PolarHBondContact O-N 3.25Å; S33-V35 VanDerWaalsContact C-N 3.35Å; S33-V35 PolarHBondContact O-N 3.39Å | ||
| 34 | S | 43.1 | Very low | 47.9 | Very low | 113 Ų | 113 | 153.4 Ų | 153.4 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -46.3 | 93 | 169.2 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | P32 R36 | P32-S34 PolarHBondContact O-N 2.91Å; S34-R36 PolarHBondContact O-N 3.24Å; S34-R36 VanDerWaalsContact O-N 3.14Å | ||
| 35 | V | 49.3 | Very low | 47 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -65.4 | 113.7 | 167.9 | -77.9 | 0 | 0 | 0 | 0 | 107.4 | S33 L37 | S33-V35 VanDerWaalsContact C-N 3.35Å; S33-V35 PolarHBondContact O-N 3.39Å; V35-L37 PolarHBondContact O-N 2.93Å | ||
| 36 | R | 39.1 | Very low | 46.4 | Very low | 232 Ų | 232 | 150.7 Ų | 150.7 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -48.8 | 109.7 | 174.6 | -79.4 | 175 | 162.8 | -175.7 | -5.4 | 110 | S34 D38 | S34-R36 PolarHBondContact O-N 3.24Å; S34-R36 VanDerWaalsContact O-N 3.14Å; R36-D38 PolarHBondContact O-N 3.05Å | ||
| 37 | L | 47.4 | Very low | 46.2 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | 34.8 | 82.5 | 120.2 | -164.8 | 75.5 | 0 | 0 | 0 | 114.3 | V35 | V35-L37 PolarHBondContact O-N 2.93Š| |||
| 38 | D | 38.3 | Very low | 45.6 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -131.6 | 114.5 | 152 | -160.2 | 59.8 | 0 | 0 | 0 | 109 | R36 | R36-D38 PolarHBondContact O-N 3.05Š| ||
| 39 | D | 40.3 | Very low | 45.6 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | 32.3 | 111.8 | 163.3 | -94.1 | -18.2 | 0 | 0 | 0 | 122.8 | ||||
| 40 | R | 36.6 | Very low | 45.4 | Very low | 227 Ų | 227 | 132.9 Ų | 132.9 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | 72.6 | 77.2 | 122.7 | -163.3 | 179.7 | 164.5 | 169.4 | -3.7 | 117.6 | |||||
| 41 | L | 41.3 | Very low | 45.8 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | -147.6 | 100 | 134.4 | -115.3 | 165 | 0 | 0 | 0 | 108 | F43 | L41-F43 VanDerWaalsContact C-N 3.25Å; L41-F43 PolarHBondContact O-N 3.24Å | ||
| 42 | Q | 39.2 | Very low | 46 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -64.5 | 90.5 | 168 | -74.3 | -164.7 | 30.9 | 0 | 0 | 108.1 | ||||
| 43 | F | 47.7 | Very low | 45.9 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -98.5 | 78.3 | 160.3 | -168.3 | -102 | 0 | 0 | 0 | 107.2 | L41 G45 | L41-F43 VanDerWaalsContact C-N 3.25Å; L41-F43 PolarHBondContact O-N 3.24Å; F43-G45 PolarHBondContact O-N 2.88Å | ||
| 44 | E | 43.9 | Very low | 46.2 | Very low | 175 Ų | 175 | 134 Ų | 134 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -62.4 | 121.2 | 166.6 | -178 | 89.5 | -156.4 | 0 | 0 | 108.1 | ||||
| 45 | G | 41.3 | Very low | 47 | Very low | 55 Ų | 55 | 135.4 Ų | 135.4 | 57% | 0.567 | 72% | 0.718 | S | S | * | * | trans | 122.8 | 77.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F43 | F43-G45 PolarHBondContact O-N 2.88Š| ||
| 46 | A | 43.8 | Very low | 47.9 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 81% | 0.81 | 69% | 0.689 | S | S | * | * | trans | -163.6 | 93.8 | 136.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | D48 | A46-D48 PolarHBondContact O-N 3.46Š| ||
| 47 | G | 43.1 | Very low | 49.1 | Very low | 78 Ų | 78 | 120.9 Ų | 120.9 | 80% | 0.804 | 66% | 0.656 | S | S | * | * | trans | -55.4 | 113.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108 | P49 | G47-P49 VanDerWaalsContact O-CD 3.23Å; G47-P49 WeakPolarHBondContact O-CD 3.48Å; G47-P49 VanDerWaalsContact O-N 3.1Å | ||
| 48 | D | 46.1 | Very low | 50.1 | Low | 87 Ų | 87 | 116 Ų | 116 | 47% | 0.465 | 64% | 0.637 | S | S | . | * | trans | -58 | 110.1 | 169.5 | -176.1 | 8.2 | 0 | 0 | 0 | 107.5 | A46 D50 Q51 | A46-D48 PolarHBondContact O-N 3.46Å; D48-D50 PolarHBondContact O-N 3.43Å; D48-D50 VanDerWaalsContact O-N 3.09Å; D48-D50 PolarHBondContact OD1-N 2.91Å; D48-Q51 PolarHBondContact O-N 3.35Å | ||
| 49 | P | 53.7 | Low | 51.9 | Low | 92 Ų | 92 | 112.5 Ų | 112.5 | 60% | 0.597 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -14.5 | -175.3 | 28 | -34.9 | 0 | 0 | 0 | 112.2 | G47 Q51 V52 S53 | G47-P49 VanDerWaalsContact O-CD 3.23Å; G47-P49 WeakPolarHBondContact O-CD 3.48Å; G47-P49 VanDerWaalsContact O-N 3.1Å; P49-Q51 VanDerWaalsContact C-N 3.26Å; P49-Q51 PolarHBondContact O-N 3.13Å; P49-V52 PolarHBondContact O-N 2.61Å; P49-V52 VanDerWaalsContact O-N 3.17Å; P49-S53 PolarHBondContact O-N 3.04Å |
| 50 | D | 53.9 | Low | 53.3 | Low | 105 Ų | 105 | 107.2 Ų | 107.2 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.9 | -28.5 | -175.7 | -66.1 | -5.3 | 0 | 0 | 0 | 111.8 | D48 V52 S53 L54 | D48-D50 PolarHBondContact O-N 3.43Å; D48-D50 VanDerWaalsContact O-N 3.09Å; D48-D50 PolarHBondContact OD1-N 2.91Å; D50-V52 PolarHBondContact O-N 3.38Å; D50-S53 PolarHBondContact O-N 3.31Å; D50-L54 WeakPolarHBondContact O-CG 3.14Å; D50-L54 PolarHBondContact O-N 2.71Å |
| 51 | Q | 56.4 | Low | 55 | Low | 144 Ų | 144 | 100.7 Ų | 100.7 | 67% | 0.673 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.2 | -33.1 | 175.9 | -70.4 | -171.6 | 88.4 | 0 | 0 | 113 | D48 P49 K55 | D48-Q51 PolarHBondContact O-N 3.35Å; P49-Q51 VanDerWaalsContact C-N 3.26Å; P49-Q51 PolarHBondContact O-N 3.13Å; Q51-K55 PolarHBondContact O-N 2.67Å |
| 52 | V | 53.8 | Low | 56.3 | Low | 108 Ų | 108 | 98.6 Ų | 98.6 | 66% | 0.655 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -74.9 | -36.9 | 179.2 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | P49 D50 K55 A56 | P49-V52 PolarHBondContact O-N 2.61Å; P49-V52 VanDerWaalsContact O-N 3.17Å; D50-V52 PolarHBondContact O-N 3.38Å; V52-K55 PolarHBondContact O-N 2.78Å; V52-A56 WeakPolarHBondContact O-CB 3.37Å; V52-A56 PolarHBondContact O-N 3.26Å |
| 53 | S | 53.9 | Low | 57.7 | Low | 49 Ų | 49 | 95.4 Ų | 95.4 | 34% | 0.343 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 177.5 | -167.8 | 0 | 0 | 0 | 0 | 112.2 | P49 D50 A56 D57 | P49-S53 PolarHBondContact O-N 3.04Å; D50-S53 PolarHBondContact O-N 3.31Å; S53-A56 PolarHBondContact O-N 3.43Å; S53-D57 PolarHBondContact O-N 2.78Å |
| 54 | L | 58.8 | Low | 58.5 | Low | 129 Ų | 129 | 88 Ų | 88 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.3 | -40.3 | 178.5 | -68.9 | 176.6 | 0 | 0 | 0 | 112.3 | D50 S58 | D50-L54 WeakPolarHBondContact O-CG 3.14Å; D50-L54 PolarHBondContact O-N 2.71Å; L54-S58 PolarHBondContact O-N 3.47Å; L54-S58 VanDerWaalsContact O-N 3.1Å |
| 55 | K | 60.1 | Low | 59.5 | Low | 143 Ų | 143 | 84.9 Ų | 84.9 | 62% | 0.622 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -48.3 | 175.6 | -171.2 | 87.2 | -179.3 | 176.3 | 0 | 110.7 | Q51 V52 D57 S58 D59 | Q51-K55 PolarHBondContact O-N 2.67Å; V52-K55 PolarHBondContact O-N 2.78Å; K55-D57 PolarHBondContact O-N 3.43Å; K55-S58 WeakPolarHBondContact O-CB 3.41Å; K55-S58 PolarHBondContact O-N 3.33Å; K55-S58 VanDerWaalsContact O-N 3.16Å; K55-D59 PolarHBondContact O-N 3.07Å |
| 56 | A | 66.4 | Low | 60.6 | Low | 23 Ų | 23 | 84.9 Ų | 84.9 | 19% | 0.19 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V52 S53 S58 D59 I60 | V52-A56 WeakPolarHBondContact O-CB 3.37Å; V52-A56 PolarHBondContact O-N 3.26Å; S53-A56 PolarHBondContact O-N 3.43Å; A56-S58 VanDerWaalsContact C-N 3.33Å; A56-D59 PolarHBondContact O-N 3.28Å; A56-I60 WeakPolarHBondContact O-CG1 3.35Å; A56-I60 PolarHBondContact O-N 3.04Å |
| 57 | D | 65.9 | Low | 61.4 | Low | 35 Ų | 35 | 86.7 Ų | 86.7 | 19% | 0.187 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 175.4 | -72.7 | -5.1 | 0 | 0 | 0 | 111 | S53 K55 D59 I60 L61 K100 | S53-D57 PolarHBondContact O-N 2.78Å; K55-D57 PolarHBondContact O-N 3.43Å; D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 PolarHBondContact O-N 3.49Å; D57-I60 PolarHBondContact O-N 3.48Å; D57-L61 WeakPolarHBondContact O-CG 3.34Å; D57-L61 PolarHBondContact O-N 2.96Å; D57-L61 VanDerWaalsContact O-N 3.12Å; D57-K100 IonicContact OD1-NZ 2.78Å |
| 58 | S | 68.1 | Low | 62.2 | Low | 71 Ų | 71 | 87.6 Ų | 87.6 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 173.1 | -171.4 | 0 | 0 | 0 | 0 | 112.5 | L54 K55 A56 I60 L61 Q62 | L54-S58 PolarHBondContact O-N 3.47Å; L54-S58 VanDerWaalsContact O-N 3.1Å; K55-S58 WeakPolarHBondContact O-CB 3.41Å; K55-S58 PolarHBondContact O-N 3.33Å; K55-S58 VanDerWaalsContact O-N 3.16Å; A56-S58 VanDerWaalsContact C-N 3.33Å; S58-I60 VanDerWaalsContact C-N 3.3Å; S58-I60 PolarHBondContact O-N 3.03Å; S58-L61 PolarHBondContact O-N 3.14Å; S58-Q62 PolarHBondContact O-N 3.2Å |
| 59 | D | 75.3 | Confident | 62.8 | Low | 78 Ų | 78 | 89.3 Ų | 89.3 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -35.9 | 178.8 | -60 | -26.4 | 0 | 0 | 0 | 111 | K55 A56 D57 Q62 N63 | K55-D59 PolarHBondContact O-N 3.07Å; A56-D59 PolarHBondContact O-N 3.28Å; D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 PolarHBondContact O-N 3.49Å; D59-Q62 PolarHBondContact O-N 2.91Å; D59-N63 WeakPolarHBondContact O-CB 3.1Å; D59-N63 PolarHBondContact O-N 2.85Å; D59-N63 PolarHBondContact O-ND2 3.43Å; D59-N63 PolarHBondContact O-OD1 3.36Å |
| 60 | I | 70.3 | Confident | 62.7 | Low | 28 Ų | 28 | 89.7 Ų | 89.7 | 14% | 0.144 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 173.5 | -59.7 | 160.1 | 0 | 0 | 0 | 110.8 | A56 D57 S58 Q62 N63 A64 L93 I97 K100 | A56-I60 WeakPolarHBondContact O-CG1 3.35Å; A56-I60 PolarHBondContact O-N 3.04Å; D57-I60 PolarHBondContact O-N 3.48Å; S58-I60 VanDerWaalsContact C-N 3.3Å; S58-I60 PolarHBondContact O-N 3.03Å; I60-Q62 VanDerWaalsContact C-N 3.26Å; I60-Q62 PolarHBondContact O-N 3.35Å; I60-N63 PolarHBondContact O-N 3.27Å; I60-A64 VanDerWaalsContact O-CB 3.32Å; I60-A64 WeakPolarHBondContact O-CB 3.46Å; I60-A64 PolarHBondContact O-N 3.02Å; I60-L93 HydrophobicContact CG2-CD1 3.99Å; I60-I97 HydrophobicContact CD1-CG1 4.49Å; I60-I97 HydrophobicContact CG2-CG1 4.43Å; I60-K100 HydrophobicContact CD1-CD 3.19Å; I60-K100 HydrophobicContact CG1-CD 4.16Å |
| 61 | L | 71.3 | Confident | 62.9 | Low | 89 Ų | 89 | 91.1 Ų | 91.1 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 177.1 | -62.2 | -164 | 0 | 0 | 0 | 111 | D57 S58 L65 L93 | D57-L61 WeakPolarHBondContact O-CG 3.34Å; D57-L61 PolarHBondContact O-N 2.96Å; D57-L61 VanDerWaalsContact O-N 3.12Å; S58-L61 PolarHBondContact O-N 3.14Å; L61-L65 WeakPolarHBondContact O-CB 3.5Å; L61-L65 PolarHBondContact O-N 3.35Å; L61-L93 HydrophobicContact CD2-CD1 3.83Å; L61-L93 HydrophobicContact CD2-CD2 3.59Å; L61-L93 HydrophobicContact CD2-CG 4.2Å |
| 62 | Q | 70 | Confident | 62.4 | Low | 123 Ų | 123 | 93.1 Ų | 93.1 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | 176.8 | -171.8 | 63 | 47.9 | 0 | 0 | 111.8 | S58 D59 I60 A66 | S58-Q62 PolarHBondContact O-N 3.2Å; D59-Q62 PolarHBondContact O-N 2.91Å; I60-Q62 VanDerWaalsContact C-N 3.26Å; I60-Q62 PolarHBondContact O-N 3.35Å; Q62-A66 WeakPolarHBondContact O-CB 3.36Å; Q62-A66 PolarHBondContact O-N 2.79Å |
| 63 | N | 69 | Low | 62.3 | Low | 109 Ų | 109 | 98.2 Ų | 98.2 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.8 | -42.6 | 179.3 | -68 | -19.5 | 0 | 0 | 0 | 112.1 | D59 I60 L65 A66 E67 | D59-N63 WeakPolarHBondContact O-CB 3.1Å; D59-N63 PolarHBondContact O-N 2.85Å; D59-N63 PolarHBondContact O-ND2 3.43Å; D59-N63 PolarHBondContact O-OD1 3.36Å; I60-N63 PolarHBondContact O-N 3.27Å; N63-L65 VanDerWaalsContact C-N 3.31Å; N63-L65 PolarHBondContact O-N 3.44Å; N63-A66 PolarHBondContact O-N 3.04Å; N63-E67 PolarHBondContact O-N 3.07Å |
| 64 | A | 64.7 | Low | 62.3 | Low | 28 Ų | 28 | 100.3 Ų | 100.3 | 23% | 0.231 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I60 N68 L93 | I60-A64 VanDerWaalsContact O-CB 3.32Å; I60-A64 WeakPolarHBondContact O-CB 3.46Å; I60-A64 PolarHBondContact O-N 3.02Å; A64-N68 PolarHBondContact O-N 2.8Å; A64-L93 HydrophobicContact CB-CD1 4.02Å |
| 65 | L | 62.9 | Low | 62.1 | Low | 110 Ų | 110 | 100.5 Ų | 100.5 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.3 | -44.4 | 173.6 | -155.4 | 168.9 | 0 | 0 | 0 | 110.4 | L61 N63 E67 N68 | L61-L65 WeakPolarHBondContact O-CB 3.5Å; L61-L65 PolarHBondContact O-N 3.35Å; N63-L65 VanDerWaalsContact C-N 3.31Å; N63-L65 PolarHBondContact O-N 3.44Å; L65-E67 PolarHBondContact O-N 3.01Å; L65-N68 PolarHBondContact O-N 3.42Å |
| 66 | A | 65.9 | Low | 61.9 | Low | 56 Ų | 56 | 98.4 Ų | 98.4 | 46% | 0.463 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.8 | -34.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q62 N63 N68 | Q62-A66 WeakPolarHBondContact O-CB 3.36Å; Q62-A66 PolarHBondContact O-N 2.79Å; N63-A66 PolarHBondContact O-N 3.04Å; A66-N68 VanDerWaalsContact C-N 3.32Å |
| 67 | E | 60.8 | Low | 61.4 | Low | 135 Ų | 135 | 107.9 Ų | 107.9 | 63% | 0.631 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.2 | -27.1 | 178.7 | -153.4 | 178.3 | -170 | 0 | 0 | 112 | N63 L65 D69 T70 | N63-E67 PolarHBondContact O-N 3.07Å; L65-E67 PolarHBondContact O-N 3.01Å; E67-D69 VanDerWaalsContact C-N 3.26Å; E67-D69 PolarHBondContact O-N 3.49Å; E67-T70 PolarHBondContact O-N 2.88Å; E67-T70 PolarHBondContact O-OG1 3.29Å |
| 68 | N | 58.9 | Low | 60.8 | Low | 97 Ų | 97 | 111 Ų | 111 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.3 | -17.8 | 179.3 | -156.8 | -96.1 | 0 | 0 | 0 | 113.4 | A64 L65 A66 T70 D89 | A64-N68 PolarHBondContact O-N 2.8Å; L65-N68 PolarHBondContact O-N 3.42Å; A66-N68 VanDerWaalsContact C-N 3.32Å; N68-T70 PolarHBondContact O-N 3.03Å; N68-D89 PolarHBondContact ND2-OD2 3.45Å |
| 69 | D | 57.9 | Low | 60.2 | Low | 123 Ų | 123 | 111.9 Ų | 111.9 | 66% | 0.658 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 7.2 | 176 | -71.9 | -33.2 | 0 | 0 | 0 | 113.8 | E67 P71 | E67-D69 VanDerWaalsContact C-N 3.26Å; E67-D69 PolarHBondContact O-N 3.49Å; D69-P71 VanDerWaalsContact C-CD 3.46Å; D69-P71 WeakPolarHBondContact O-CD 3.2Å |
| 70 | T | 53.3 | Low | 59.3 | Low | 101 Ų | 101 | 118.8 Ų | 118.8 | 62% | 0.62 | 61% | 0.613 | S | S | * | * | trans | -98.8 | 87.7 | 170 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | E67 N68 Y72 | E67-T70 PolarHBondContact O-N 2.88Å; E67-T70 PolarHBondContact O-OG1 3.29Å; N68-T70 PolarHBondContact O-N 3.03Å; T70-Y72 PolarHBondContact O-N 2.97Å | ||
| 71 | P | 56.4 | Low | 58.7 | Low | 134 Ų | 134 | 123.2 Ų | 123.2 | 87% | 0.87 | 63% | 0.633 | S | S | * | * | trans | -75.4 | 30.7 | 177.5 | 33.8 | -38.2 | 0 | 0 | 0 | 112.8 | D69 | D69-P71 VanDerWaalsContact C-CD 3.46Å; D69-P71 WeakPolarHBondContact O-CD 3.2Å | ||
| 72 | Y | 47.6 | Very low | 58 | Low | 186 Ų | 186 | 123.9 Ų | 123.9 | 73% | 0.729 | 65% | 0.651 | S | S | * | * | trans | -113 | 78.3 | 179 | -167.9 | -92.9 | 0 | 0 | 0 | 108.9 | T70 | T70-Y72 PolarHBondContact O-N 2.97Š| ||
| 73 | Y | 51.7 | Low | 57.5 | Low | 215 Ų | 215 | 124.6 Ų | 124.6 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -166.7 | 116.4 | 145.7 | -101.4 | -70.7 | 0 | 0 | 0 | 112 | ||
| 74 | D | 53.3 | Low | 57.1 | Low | 93 Ų | 93 | 120.2 Ų | 120.2 | 50% | 0.497 | 64% | 0.639 | S | S | . | * | trans | 68.6 | 76.6 | 146.4 | -151.4 | 10.2 | 0 | 0 | 0 | 119.7 | S76 R77 N78 | D74-S76 PolarHBondContact O-N 3.02Å; D74-S76 WeakPolarHBondContact OD1-CB 3.27Å; D74-S76 PolarHBondContact OD1-N 3.45Å; D74-S76 VanDerWaalsContact OD1-N 3.11Å; D74-S76 PolarHBondContact OD1-OG 3.4Å; D74-R77 PolarHBondContact O-N 2.9Å; D74-N78 PolarHBondContact O-OD1 3.43Å | ||
| 75 | V | 55.5 | Low | 57 | Low | 133 Ų | 133 | 122.8 Ų | 122.8 | 81% | 0.806 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.9 | -11.1 | 160.5 | 162.7 | 0 | 0 | 0 | 0 | 114.1 | N78 | V75-N78 VanDerWaalsContact C-OD1 3.26Å; V75-N78 WeakPolarHBondContact CA-OD1 3.47Å; V75-N78 PolarHBondContact O-OD1 3.05Å; V75-N78 VanDerWaalsContact O-OD1 3.06Å |
| 76 | S | 54.1 | Low | 56.8 | Low | 100 Ų | 100 | 126.4 Ų | 126.4 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -11.3 | -178 | -51.6 | 0 | 0 | 0 | 0 | 114.6 | D74 | D74-S76 PolarHBondContact O-N 3.02Å; D74-S76 WeakPolarHBondContact OD1-CB 3.27Å; D74-S76 PolarHBondContact OD1-N 3.45Å; D74-S76 VanDerWaalsContact OD1-N 3.11Å; D74-S76 PolarHBondContact OD1-OG 3.4Å |
| 77 | R | 56.8 | Low | 57 | Low | 221 Ų | 221 | 127.9 Ų | 127.9 | 83% | 0.834 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -97.3 | -10.4 | -175.6 | -137 | 176.6 | -176 | 155.6 | 1.5 | 115.1 | D74 | D74-R77 PolarHBondContact O-N 2.9Š|
| 78 | N | 53.6 | Low | 57.7 | Low | 100 Ų | 100 | 123.7 Ų | 123.7 | 54% | 0.535 | 65% | 0.652 | S | S | . | * | trans | -113.2 | 11 | -169.5 | 45.4 | -9.2 | 0 | 0 | 0 | 114.4 | D74 V75 R80 | D74-N78 PolarHBondContact O-OD1 3.43Å; V75-N78 VanDerWaalsContact C-OD1 3.26Å; V75-N78 WeakPolarHBondContact CA-OD1 3.47Å; V75-N78 PolarHBondContact O-OD1 3.05Å; V75-N78 VanDerWaalsContact O-OD1 3.06Å; N78-R80 PolarHBondContact O-N 2.68Å | ||
| 79 | A | 54.7 | Low | 58.7 | Low | 91 Ų | 91 | 121.8 Ų | 121.8 | 75% | 0.752 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -5.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 80 | R | 57 | Low | 59.9 | Low | 223 Ų | 223 | 122.8 Ų | 122.8 | 84% | 0.842 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.9 | 7.4 | 178.4 | -66.5 | -172.7 | 179.3 | -107.9 | -1.2 | 117.1 | N78 | N78-R80 PolarHBondContact O-N 2.68Š|
| 81 | H | 57.6 | Low | 61.3 | Low | 121 Ų | 121 | 121.1 Ų | 121.1 | 56% | 0.56 | 63% | 0.63 | S | S | * | * | trans | -134.5 | 69.8 | -176.5 | -58.2 | -59.4 | 0 | 0 | 0 | 111.9 | ||||
| 82 | A | 56.2 | Low | 62.8 | Low | 103 Ų | 103 | 122.9 Ų | 122.9 | 85% | 0.851 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -75.7 | -12.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 83 | D | 59.7 | Low | 64.7 | Low | 138 Ų | 138 | 115.6 Ų | 115.6 | 74% | 0.738 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -90.4 | -13 | 177.2 | 59.6 | -20.8 | 0 | 0 | 0 | 113.4 | ||
| 84 | G | 59.6 | Low | 66.5 | Low | 16 Ų | 16 | 109.1 Ų | 109.1 | 17% | 0.165 | 57% | 0.573 | C | S | . | * | trans | -98.5 | -1.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | T87 S88 | G84-T87 WeakPolarHBondContact O-CG2 3.48Å; G84-T87 PolarHBondContact O-N 3.49Å; G84-S88 VanDerWaalsContact O-CB 3.31Å; G84-S88 WeakPolarHBondContact O-CB 3.41Å; G84-S88 PolarHBondContact O-N 3.3Å; G84-S88 PolarHBondContact O-OG 2.9Å | ||
| 85 | V | 63.1 | Low | 68.3 | Low | 82 Ų | 82 | 106.6 Ų | 106.6 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -52.1 | -171.7 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | T87 S88 D89 | V85-T87 PolarHBondContact O-N 3.31Å; V85-S88 PolarHBondContact O-N 3.43Å; V85-S88 PolarHBondContact O-OG 3.41Å; V85-D89 PolarHBondContact O-N 3.35Å |
| 86 | F | 60.1 | Low | 70 | Confident | 186 Ų | 186 | 104.7 Ų | 104.7 | 82% | 0.816 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.2 | -35.6 | 176.8 | -60.6 | -68.5 | 0 | 0 | 0 | 113.3 | S88 Y90 | F86-S88 VanDerWaalsContact C-N 3.31Å; F86-S88 PolarHBondContact O-N 3.42Å; F86-Y90 WeakPolarHBondContact O-CB 3.37Å; F86-Y90 PolarHBondContact O-N 2.94Å |
| 87 | T | 70 | Confident | 71.8 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.7 | -35.1 | 179.4 | -156.3 | 0 | 0 | 0 | 0 | 111.2 | G84 V85 S91 | G84-T87 WeakPolarHBondContact O-CG2 3.48Å; G84-T87 PolarHBondContact O-N 3.49Å; V85-T87 PolarHBondContact O-N 3.31Å; T87-S91 WeakPolarHBondContact O-CB 3.49Å; T87-S91 PolarHBondContact O-N 3.17Å; T87-S91 PolarHBondContact O-OG 3.49Å |
| 88 | S | 74.1 | Confident | 73.4 | Confident | 48 Ų | 48 | 94.5 Ų | 94.5 | 34% | 0.336 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.6 | -47.1 | -177.3 | 72.7 | 0 | 0 | 0 | 0 | 112.4 | G84 V85 F86 S91 R92 | G84-S88 VanDerWaalsContact O-CB 3.31Å; G84-S88 WeakPolarHBondContact O-CB 3.41Å; G84-S88 PolarHBondContact O-N 3.3Å; G84-S88 PolarHBondContact O-OG 2.9Å; V85-S88 PolarHBondContact O-N 3.43Å; V85-S88 PolarHBondContact O-OG 3.41Å; F86-S88 VanDerWaalsContact C-N 3.31Å; F86-S88 PolarHBondContact O-N 3.42Å; S88-S91 PolarHBondContact O-N 3.09Å; S88-R92 WeakPolarHBondContact O-CB 3.35Å; S88-R92 VanDerWaalsContact O-CG 3.24Å; S88-R92 WeakPolarHBondContact O-CG 3.41Å; S88-R92 PolarHBondContact O-N 3.43Å |
| 89 | D | 79.9 | Confident | 75.3 | Confident | 57 Ų | 57 | 92.6 Ų | 92.6 | 31% | 0.305 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.1 | -40.9 | -177.6 | -69.1 | -23.8 | 0 | 0 | 0 | 111.6 | N68 V85 S91 R92 L93 | N68-D89 PolarHBondContact ND2-OD2 3.45Å; V85-D89 PolarHBondContact O-N 3.35Å; D89-S91 PolarHBondContact O-N 3.01Å; D89-R92 WeakPolarHBondContact O-CB 3.47Å; D89-R92 PolarHBondContact O-N 3.31Å; D89-R92 IonicContact OD1-NH1 3.78Å; D89-L93 WeakPolarHBondContact O-CB 3.49Å; D89-L93 PolarHBondContact O-N 3.33Å |
| 90 | Y | 83.2 | Confident | 76.9 | Confident | 143 Ų | 143 | 90.6 Ų | 90.6 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.3 | -43.4 | 174.7 | -178.9 | -109.5 | 0 | 0 | 0 | 111.9 | F86 R92 L93 L94 | F86-Y90 WeakPolarHBondContact O-CB 3.37Å; F86-Y90 PolarHBondContact O-N 2.94Å; Y90-R92 VanDerWaalsContact C-N 3.32Å; Y90-R92 PolarHBondContact O-N 3.02Å; Y90-L93 PolarHBondContact O-N 3.41Å; Y90-L94 HydrophobicContact CD1-CD1 3.92Å; Y90-L94 HydrophobicContact CD1-CG 4.44Å; Y90-L94 HydrophobicContact CE1-CD1 3.33Å; Y90-L94 HydrophobicContact CE1-CG 4.04Å; Y90-L94 HydrophobicContact CE2-CD1 4.37Å; Y90-L94 HydrophobicContact CE2-CD2 4.41Å; Y90-L94 HydrophobicContact CE2-CG 4.25Å; Y90-L94 WeakPolarHBondContact O-CG 3.23Å; Y90-L94 PolarHBondContact O-N 3.43Å |
| 91 | S | 84.2 | Confident | 78.5 | Confident | 66 Ų | 66 | 85.1 Ų | 85.1 | 46% | 0.462 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 176.1 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | T87 S88 D89 G95 | T87-S91 WeakPolarHBondContact O-CB 3.49Å; T87-S91 PolarHBondContact O-N 3.17Å; T87-S91 PolarHBondContact O-OG 3.49Å; S88-S91 PolarHBondContact O-N 3.09Å; D89-S91 PolarHBondContact O-N 3.01Å; S91-G95 PolarHBondContact O-N 3.34Å |
| 92 | R | 86.1 | Confident | 80 | Confident | 172 Ų | 172 | 87.1 Ų | 87.1 | 65% | 0.649 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.5 | -46.1 | 173.9 | -78.1 | 170 | 176.3 | -173.3 | -2.2 | 111.6 | S88 D89 Y90 G95 Q96 | S88-R92 WeakPolarHBondContact O-CB 3.35Å; S88-R92 VanDerWaalsContact O-CG 3.24Å; S88-R92 WeakPolarHBondContact O-CG 3.41Å; S88-R92 PolarHBondContact O-N 3.43Å; D89-R92 WeakPolarHBondContact O-CB 3.47Å; D89-R92 PolarHBondContact O-N 3.31Å; D89-R92 IonicContact OD1-NH1 3.78Å; Y90-R92 VanDerWaalsContact C-N 3.32Å; Y90-R92 PolarHBondContact O-N 3.02Å; R92-G95 CarbonylContact O-C 3.58Å; R92-G95 WeakPolarHBondContact O-CA 3.46Å; R92-G95 PolarHBondContact O-N 3.18Å; R92-G95 VanDerWaalsContact O-N 3.15Å; R92-Q96 WeakPolarHBondContact O-CG 3.49Å; R92-Q96 PolarHBondContact O-N 3.04Å |
| 93 | L | 88.5 | Confident | 81.6 | Confident | 33 Ų | 33 | 86.4 Ų | 86.4 | 17% | 0.173 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 176.9 | 174.4 | 65.7 | 0 | 0 | 0 | 111.4 | I60 L61 A64 D89 Y90 G95 Q96 I97 | I60-L93 HydrophobicContact CG2-CD1 3.99Å; L61-L93 HydrophobicContact CD2-CD1 3.83Å; L61-L93 HydrophobicContact CD2-CD2 3.59Å; L61-L93 HydrophobicContact CD2-CG 4.2Å; A64-L93 HydrophobicContact CB-CD1 4.02Å; D89-L93 WeakPolarHBondContact O-CB 3.49Å; D89-L93 PolarHBondContact O-N 3.33Å; Y90-L93 PolarHBondContact O-N 3.41Å; L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 3.03Å; L93-Q96 WeakPolarHBondContact O-CB 3.49Å; L93-Q96 PolarHBondContact O-N 3.35Å; L93-Q96 VanDerWaalsContact O-N 3.13Å; L93-I97 HydrophobicContact CD1-CD1 4.06Å; L93-I97 HydrophobicContact CD1-CG1 4.31Å; L93-I97 HydrophobicContact CG-CD1 3.97Å; L93-I97 WeakPolarHBondContact O-CG1 3.49Å; L93-I97 PolarHBondContact O-N 2.86Å |
| 94 | L | 89.5 | Confident | 82.8 | Confident | 79 Ų | 79 | 83.8 Ų | 83.8 | 41% | 0.414 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.6 | -38.1 | 175.6 | -72.1 | -177.8 | 0 | 0 | 0 | 111.9 | Y90 S98 | Y90-L94 HydrophobicContact CD1-CD1 3.92Å; Y90-L94 HydrophobicContact CD1-CG 4.44Å; Y90-L94 HydrophobicContact CE1-CD1 3.33Å; Y90-L94 HydrophobicContact CE1-CG 4.04Å; Y90-L94 HydrophobicContact CE2-CD1 4.37Å; Y90-L94 HydrophobicContact CE2-CD2 4.41Å; Y90-L94 HydrophobicContact CE2-CG 4.25Å; Y90-L94 WeakPolarHBondContact O-CG 3.23Å; Y90-L94 PolarHBondContact O-N 3.43Å; L94-S98 VanDerWaalsContact O-CB 3.27Å; L94-S98 WeakPolarHBondContact O-CB 3.48Å; L94-S98 PolarHBondContact O-N 3.13Å |
| 95 | G | 90.7 | Very high | 84 | Confident | 39 Ų | 39 | 87 Ų | 87 | 40% | 0.402 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S91 R92 L93 S98 A99 | S91-G95 PolarHBondContact O-N 3.34Å; R92-G95 CarbonylContact O-C 3.58Å; R92-G95 WeakPolarHBondContact O-CA 3.46Å; R92-G95 PolarHBondContact O-N 3.18Å; R92-G95 VanDerWaalsContact O-N 3.15Å; L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 3.03Å; G95-S98 PolarHBondContact O-N 3.1Å; G95-A99 WeakPolarHBondContact O-CB 3.03Å; G95-A99 PolarHBondContact O-N 3.26Å |
| 96 | Q | 91.3 | Very high | 84.9 | Confident | 93 Ų | 93 | 85.9 Ų | 85.9 | 44% | 0.435 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 176.9 | -72.5 | 175.8 | -22.8 | 0 | 0 | 112 | R92 L93 S98 A99 K100 | R92-Q96 WeakPolarHBondContact O-CG 3.49Å; R92-Q96 PolarHBondContact O-N 3.04Å; L93-Q96 WeakPolarHBondContact O-CB 3.49Å; L93-Q96 PolarHBondContact O-N 3.35Å; L93-Q96 VanDerWaalsContact O-N 3.13Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 3.15Å; Q96-A99 PolarHBondContact O-N 2.9Å; Q96-K100 WeakPolarHBondContact O-CB 3.35Å; Q96-K100 PolarHBondContact O-N 2.94Å |
| 97 | I | 92.3 | Very high | 85.9 | Confident | 29 Ų | 29 | 80.5 Ų | 80.5 | 15% | 0.149 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.3 | -66.9 | 168.9 | 0 | 0 | 0 | 110.3 | I60 L93 K100 K101 | I60-I97 HydrophobicContact CD1-CG1 4.49Å; I60-I97 HydrophobicContact CG2-CG1 4.43Å; L93-I97 HydrophobicContact CD1-CD1 4.06Å; L93-I97 HydrophobicContact CD1-CG1 4.31Å; L93-I97 HydrophobicContact CG-CD1 3.97Å; L93-I97 WeakPolarHBondContact O-CG1 3.49Å; L93-I97 PolarHBondContact O-N 2.86Å; I97-K100 PolarHBondContact O-N 2.95Å; I97-K101 HydrophobicContact CG2-CD 4.26Å; I97-K101 WeakPolarHBondContact O-CG 3.44Å; I97-K101 PolarHBondContact O-N 2.92Å |
| 98 | S | 90.2 | Very high | 85.8 | Confident | 78 Ų | 78 | 78.5 Ų | 78.5 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 177.1 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | L94 G95 Q96 K100 K101 Y102 | L94-S98 VanDerWaalsContact O-CB 3.27Å; L94-S98 WeakPolarHBondContact O-CB 3.48Å; L94-S98 PolarHBondContact O-N 3.13Å; G95-S98 PolarHBondContact O-N 3.1Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 3.15Å; S98-K100 PolarHBondContact O-N 3.45Å; S98-K101 PolarHBondContact O-N 3.23Å; S98-Y102 WeakPolarHBondContact O-CB 3.27Å; S98-Y102 PolarHBondContact O-N 3.47Å |
| 99 | A | 93 | Very high | 85.3 | Confident | 60 Ų | 60 | 83.6 Ų | 83.6 | 50% | 0.496 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | G95 Q96 Y102 L103 | G95-A99 WeakPolarHBondContact O-CB 3.03Å; G95-A99 PolarHBondContact O-N 3.26Å; Q96-A99 PolarHBondContact O-N 2.9Å; A99-Y102 PolarHBondContact O-N 3.36Å; A99-L103 WeakPolarHBondContact O-CB 3.45Å; A99-L103 PolarHBondContact O-N 3.21Å |
| 100 | K | 89.2 | Confident | 84.3 | Confident | 49 Ų | 49 | 88.4 Ų | 88.4 | 21% | 0.213 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.8 | -50.6 | 174.8 | 176.8 | -177.7 | 174.3 | -89.2 | 0 | 111.7 | D57 I60 Q96 I97 S98 Y102 L103 E104 | D57-K100 IonicContact OD1-NZ 2.78Å; I60-K100 HydrophobicContact CD1-CD 3.19Å; I60-K100 HydrophobicContact CG1-CD 4.16Å; Q96-K100 WeakPolarHBondContact O-CB 3.35Å; Q96-K100 PolarHBondContact O-N 2.94Å; I97-K100 PolarHBondContact O-N 2.95Å; S98-K100 PolarHBondContact O-N 3.45Å; K100-Y102 PolarHBondContact O-N 2.96Å; K100-L103 CarbonylContact O-C 3.57Å; K100-L103 WeakPolarHBondContact O-CA 3.33Å; K100-L103 WeakPolarHBondContact O-CB 3.46Å; K100-L103 PolarHBondContact O-N 2.91Å; K100-E104 WeakPolarHBondContact CE-OE1 3.48Å; K100-E104 HydrophobicContact CG-CG 4.24Å; K100-E104 IonicContact NZ-OE1 3.88Å; K100-E104 PolarHBondContact NZ-OE1 2.82Å; K100-E104 IonicContact NZ-OE2 3.51Å; K100-E104 WeakPolarHBondContact O-CG 3.42Å; K100-E104 PolarHBondContact O-N 3.37Å |
| 101 | K | 89.7 | Confident | 83 | Confident | 109 Ų | 109 | 86.8 Ų | 86.8 | 47% | 0.474 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.7 | -40 | 178.7 | -74.1 | 179.8 | 178 | -177.4 | 0 | 111.8 | I97 S98 S105 | I97-K101 HydrophobicContact CG2-CD 4.26Å; I97-K101 WeakPolarHBondContact O-CG 3.44Å; I97-K101 PolarHBondContact O-N 2.92Å; S98-K101 PolarHBondContact O-N 3.23Å; K101-S105 WeakPolarHBondContact O-CB 3.45Å; K101-S105 PolarHBondContact O-N 3.4Å |
| 102 | Y | 89 | Confident | 81.7 | Confident | 163 Ų | 163 | 87.8 Ų | 87.8 | 64% | 0.639 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.5 | -45.5 | 174.1 | 179.3 | -109 | 0 | 0 | 0 | 112 | S98 A99 K100 S105 L106 | S98-Y102 WeakPolarHBondContact O-CB 3.27Å; S98-Y102 PolarHBondContact O-N 3.47Å; A99-Y102 PolarHBondContact O-N 3.36Å; K100-Y102 PolarHBondContact O-N 2.96Å; Y102-S105 WeakPolarHBondContact O-CB 3.44Å; Y102-S105 PolarHBondContact O-N 3.47Å; Y102-L106 HydrophobicContact CD1-CD1 3.57Å; Y102-L106 HydrophobicContact CD2-CD1 4.48Å; Y102-L106 HydrophobicContact CE1-CD1 3.19Å; Y102-L106 HydrophobicContact CE1-CG 4.41Å; Y102-L106 HydrophobicContact CE2-CD1 4.17Å; Y102-L106 HydrophobicContact CG-CD1 4.2Å; Y102-L106 WeakPolarHBondContact O-CD1 3.44Å; Y102-L106 PolarHBondContact O-N 2.99Å |
| 103 | L | 90.1 | Very high | 80.2 | Confident | 88 Ų | 88 | 83.8 Ų | 83.8 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 177.5 | -169 | 79.9 | 0 | 0 | 0 | 112.5 | A99 K100 S105 L106 I107 | A99-L103 WeakPolarHBondContact O-CB 3.45Å; A99-L103 PolarHBondContact O-N 3.21Å; K100-L103 CarbonylContact O-C 3.57Å; K100-L103 WeakPolarHBondContact O-CA 3.33Å; K100-L103 WeakPolarHBondContact O-CB 3.46Å; K100-L103 PolarHBondContact O-N 2.91Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 3.24Å; L103-L106 CarbonylContact O-C 3.55Å; L103-L106 WeakPolarHBondContact O-CA 3.38Å; L103-L106 WeakPolarHBondContact O-CB 3.13Å; L103-L106 PolarHBondContact O-N 3.25Å; L103-L106 VanDerWaalsContact O-N 3.07Å; L103-I107 HydrophobicContact CD2-CD1 3.93Å; L103-I107 HydrophobicContact CG-CD1 3.82Å; L103-I107 HydrophobicContact CG-CG1 4.3Å; L103-I107 WeakPolarHBondContact O-CG1 3.3Å; L103-I107 PolarHBondContact O-N 3.3Å |
| 104 | E | 85.9 | Confident | 78.7 | Confident | 82 Ų | 82 | 86.5 Ų | 86.5 | 38% | 0.383 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 175.3 | -75.4 | 174.2 | 166.8 | 0 | 0 | 110.8 | K100 L106 I107 G108 | K100-E104 WeakPolarHBondContact CE-OE1 3.48Å; K100-E104 HydrophobicContact CG-CG 4.24Å; K100-E104 IonicContact NZ-OE1 3.88Å; K100-E104 PolarHBondContact NZ-OE1 2.82Å; K100-E104 IonicContact NZ-OE2 3.51Å; K100-E104 WeakPolarHBondContact O-CG 3.42Å; K100-E104 PolarHBondContact O-N 3.37Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.12Å; E104-I107 PolarHBondContact O-N 3.48Å; E104-G108 PolarHBondContact O-N 3.16Å |
| 105 | S | 84.7 | Confident | 77 | Confident | 85 Ų | 85 | 88.7 Ų | 88.7 | 59% | 0.594 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.8 | -42.3 | 173 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | K101 Y102 L103 K109 | K101-S105 WeakPolarHBondContact O-CB 3.45Å; K101-S105 PolarHBondContact O-N 3.4Å; Y102-S105 WeakPolarHBondContact O-CB 3.44Å; Y102-S105 PolarHBondContact O-N 3.47Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 3.24Å; S105-K109 VanDerWaalsContact O-CB 3.27Å; S105-K109 WeakPolarHBondContact O-CB 3.4Å; S105-K109 PolarHBondContact O-N 2.89Å |
| 106 | L | 82.2 | Confident | 74.9 | Confident | 57 Ų | 57 | 90.9 Ų | 90.9 | 30% | 0.298 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 177 | -82.9 | 153.7 | 0 | 0 | 0 | 113.2 | Y102 L103 E104 K109 R110 | Y102-L106 HydrophobicContact CD1-CD1 3.57Å; Y102-L106 HydrophobicContact CD2-CD1 4.48Å; Y102-L106 HydrophobicContact CE1-CD1 3.19Å; Y102-L106 HydrophobicContact CE1-CG 4.41Å; Y102-L106 HydrophobicContact CE2-CD1 4.17Å; Y102-L106 HydrophobicContact CG-CD1 4.2Å; Y102-L106 WeakPolarHBondContact O-CD1 3.44Å; Y102-L106 PolarHBondContact O-N 2.99Å; L103-L106 CarbonylContact O-C 3.55Å; L103-L106 WeakPolarHBondContact O-CA 3.38Å; L103-L106 WeakPolarHBondContact O-CB 3.13Å; L103-L106 PolarHBondContact O-N 3.25Å; L103-L106 VanDerWaalsContact O-N 3.07Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.12Å; L106-K109 PolarHBondContact O-N 3.46Å; L106-R110 WeakPolarHBondContact O-CG 3.32Å; L106-R110 PolarHBondContact O-N 3.47Å |
| 107 | I | 79.4 | Confident | 72.8 | Confident | 74 Ų | 74 | 95.3 Ų | 95.3 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.5 | -45.8 | 179.2 | -68.4 | 169.4 | 0 | 0 | 0 | 109.8 | L103 E104 K109 R110 I111 | L103-I107 HydrophobicContact CD2-CD1 3.93Å; L103-I107 HydrophobicContact CG-CD1 3.82Å; L103-I107 HydrophobicContact CG-CG1 4.3Å; L103-I107 WeakPolarHBondContact O-CG1 3.3Å; L103-I107 PolarHBondContact O-N 3.3Å; E104-I107 PolarHBondContact O-N 3.48Å; I107-K109 PolarHBondContact O-N 2.98Å; I107-R110 PolarHBondContact O-N 3.23Å; I107-I111 HydrophobicContact CG2-CD1 3.52Å; I107-I111 HydrophobicContact CG2-CG1 4.19Å; I107-I111 WeakPolarHBondContact O-CG1 3.45Å; I107-I111 PolarHBondContact O-N 3.14Å |
| 108 | G | 69.1 | Low | 70.8 | Confident | 45 Ų | 45 | 99.7 Ų | 99.7 | 46% | 0.464 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.5 | -35.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E104 S112 | E104-G108 PolarHBondContact O-N 3.16Å; G108-S112 PolarHBondContact O-N 3.32Å; G108-S112 PolarHBondContact O-OG 2.87Å |
| 109 | K | 62.4 | Low | 69.1 | Low | 154 Ų | 154 | 101.4 Ų | 101.4 | 67% | 0.67 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.9 | -34.1 | 173.8 | -172.1 | 172.9 | -179.7 | -170.8 | 0 | 113.8 | S105 L106 I107 S112 S113 | S105-K109 VanDerWaalsContact O-CB 3.27Å; S105-K109 WeakPolarHBondContact O-CB 3.4Å; S105-K109 PolarHBondContact O-N 2.89Å; L106-K109 PolarHBondContact O-N 3.46Å; I107-K109 PolarHBondContact O-N 2.98Å; K109-S112 PolarHBondContact O-OG 3.31Å; K109-S113 PolarHBondContact O-N 3.3Å; K109-S113 PolarHBondContact O-OG 3.28Å |
| 110 | R | 59.6 | Low | 67.5 | Low | 158 Ų | 158 | 104.2 Ų | 104.2 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76.8 | -40.2 | 179 | -78.9 | -166.1 | -83.6 | -164.8 | -2.2 | 112.4 | L106 I107 S112 S113 S114 | L106-R110 WeakPolarHBondContact O-CG 3.32Å; L106-R110 PolarHBondContact O-N 3.47Å; I107-R110 PolarHBondContact O-N 3.23Å; R110-S112 VanDerWaalsContact C-N 3.33Å; R110-S112 PolarHBondContact O-N 3.05Å; R110-S113 WeakPolarHBondContact CA-OG 3.33Å; R110-S113 PolarHBondContact O-N 3.5Å; R110-S113 VanDerWaalsContact O-N 3.07Å; R110-S113 PolarHBondContact O-OG 2.93Å; R110-S114 PolarHBondContact O-N 3.49Å |
| 111 | I | 56.5 | Low | 66 | Low | 109 Ų | 109 | 107.3 Ų | 107.3 | 56% | 0.559 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.6 | -35.8 | 179.4 | -62.3 | 167.3 | 0 | 0 | 0 | 110.9 | I107 S113 S114 | I107-I111 HydrophobicContact CG2-CD1 3.52Å; I107-I111 HydrophobicContact CG2-CG1 4.19Å; I107-I111 WeakPolarHBondContact O-CG1 3.45Å; I107-I111 PolarHBondContact O-N 3.14Å; I111-S113 PolarHBondContact O-N 2.83Å; I111-S114 PolarHBondContact O-OG 2.68Å |
| 112 | S | 55.8 | Low | 64.4 | Low | 88 Ų | 88 | 109 Ų | 109 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -14.8 | 173.3 | 65.4 | 0 | 0 | 0 | 0 | 114 | G108 K109 R110 | G108-S112 PolarHBondContact O-N 3.32Å; G108-S112 PolarHBondContact O-OG 2.87Å; K109-S112 PolarHBondContact O-OG 3.31Å; R110-S112 VanDerWaalsContact C-N 3.33Å; R110-S112 PolarHBondContact O-N 3.05Å |
| 113 | S | 55.9 | Low | 63 | Low | 87 Ų | 87 | 107.2 Ų | 107.2 | 61% | 0.608 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -13.9 | 179.4 | 69.9 | 0 | 0 | 0 | 0 | 114.7 | K109 R110 I111 | K109-S113 PolarHBondContact O-N 3.3Å; K109-S113 PolarHBondContact O-OG 3.28Å; R110-S113 WeakPolarHBondContact CA-OG 3.33Å; R110-S113 PolarHBondContact O-N 3.5Å; R110-S113 VanDerWaalsContact O-N 3.07Å; R110-S113 PolarHBondContact O-OG 2.93Å; I111-S113 PolarHBondContact O-N 2.83Å |
| 114 | S | 55.3 | Low | 61.8 | Low | 90 Ų | 90 | 112.6 Ų | 112.6 | 63% | 0.629 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -97.8 | -8.5 | -174.5 | 61.6 | 0 | 0 | 0 | 0 | 115.1 | R110 I111 | R110-S114 PolarHBondContact O-N 3.49Å; I111-S114 PolarHBondContact O-OG 2.68Å |
| 115 | I | 54.7 | Low | 60.3 | Low | 126 Ų | 126 | 117.3 Ų | 117.3 | 65% | 0.646 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -130.4 | 120.5 | 175.4 | -67 | 171 | 0 | 0 | 0 | 106 | ||
| 116 | S | 47.5 | Very low | 59.2 | Low | 84 Ų | 84 | 118.1 Ų | 118.1 | 59% | 0.587 | 64% | 0.643 | S | S | * | * | trans | 91.5 | 82.6 | -176.1 | -29.5 | 0 | 0 | 0 | 0 | 112.7 | D118 | S116-D118 PolarHBondContact O-N 3.04Š| ||
| 117 | E | 46.8 | Very low | 58.4 | Low | 186 Ų | 186 | 120.1 Ų | 120.1 | 87% | 0.869 | 65% | 0.654 | S | S | * | * | trans | -42 | 80.8 | 144.7 | 33.5 | -83.7 | 114 | 0 | 0 | 112.2 | ||||
| 118 | D | 50.6 | Low | 57.5 | Low | 121 Ų | 121 | 118 Ų | 118 | 65% | 0.647 | 65% | 0.648 | S | S | * | * | trans | -146 | 114.5 | 152.1 | -166.7 | 14.7 | 0 | 0 | 0 | 105.7 | S116 V120 | S116-D118 PolarHBondContact O-N 3.04Å; D118-V120 PolarHBondContact O-N 3.18Å | ||
| 119 | P | 53.2 | Low | 57.4 | Low | 114 Ų | 114 | 118.8 Ų | 118.8 | 74% | 0.74 | 64% | 0.643 | S | S | * | * | trans | -65.8 | 86.3 | -175.8 | 27.3 | -35.2 | 0 | 0 | 0 | 109.7 | P121 | P119-P121 WeakPolarHBondContact O-CD 3.24Š| ||
| 120 | V | 59.2 | Low | 57.4 | Low | 120 Ų | 120 | 119.4 Ų | 119.4 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | trans | -54.1 | 111.8 | 176.1 | 177.7 | 0 | 0 | 0 | 0 | 107.4 | D118 V122 | D118-V120 PolarHBondContact O-N 3.18Å; V120-V122 PolarHBondContact O-N 2.97Å | ||
| 121 | P | 58.1 | Low | 58.1 | Low | 113 Ų | 113 | 116.5 Ų | 116.5 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | trans | -56.8 | 127.8 | -174.7 | -24.4 | 32.7 | 0 | 0 | 0 | 109.3 | P119 K123 | P119-P121 WeakPolarHBondContact O-CD 3.24Å; P121-K123 PolarHBondContact O-N 3.13Å | ||
| 122 | V | 56.8 | Low | 59.2 | Low | 146 Ų | 146 | 115.6 Ų | 115.6 | 89% | 0.885 | 64% | 0.643 | S | S | * | * | trans | -52.2 | 98 | -176.5 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | V120 R124 | V120-V122 PolarHBondContact O-N 2.97Å; V122-R124 PolarHBondContact O-N 2.93Å; V122-R124 VanDerWaalsContact O-N 3.13Å | ||
| 123 | K | 59.1 | Low | 60.4 | Low | 125 Ų | 125 | 115 Ų | 115 | 54% | 0.543 | 63% | 0.632 | S | S | . | * | trans | -70.8 | 107.4 | -170.4 | -167.6 | 159.2 | 59.7 | 177.3 | 0 | 109.3 | P121 H125 A128 | P121-K123 PolarHBondContact O-N 3.13Å; K123-H125 PolarHBondContact O-N 3.33Å; K123-A128 HydrophobicContact CD-CB 4.04Å; K123-A128 HydrophobicContact CG-CB 3.64Å | ||
| 124 | R | 64.3 | Low | 61.8 | Low | 201 Ų | 201 | 117.4 Ų | 117.4 | 76% | 0.758 | 63% | 0.629 | S | S | * | * | trans | -57.5 | 124.2 | 166.9 | -65.6 | -179.2 | 175.5 | -165.7 | -1.9 | 106.9 | V122 S126 D127 | V122-R124 PolarHBondContact O-N 2.93Å; V122-R124 VanDerWaalsContact O-N 3.13Å; R124-S126 PolarHBondContact O-N 2.85Å; R124-D127 VanDerWaalsContact O-OD1 3.08Å | ||
| 125 | H | 56 | Low | 63.3 | Low | 180 Ų | 180 | 115.8 Ų | 115.8 | 83% | 0.833 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 132.2 | -168.6 | -62.9 | -82.7 | 0 | 0 | 0 | 109.4 | K123 | K123-H125 PolarHBondContact O-N 3.33Š|
| 126 | S | 60.3 | Low | 65 | Low | 103 Ų | 103 | 115 Ų | 115 | 72% | 0.72 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91 | -44.3 | 178.1 | 76.6 | 0 | 0 | 0 | 0 | 119.3 | R124 | R124-S126 PolarHBondContact O-N 2.85Š|
| 127 | D | 65.4 | Low | 67.1 | Low | 99 Ų | 99 | 114.9 Ų | 114.9 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -34.5 | -170.5 | 61.9 | -13.2 | 0 | 0 | 0 | 114.1 | R124 V129 | R124-D127 VanDerWaalsContact O-OD1 3.08Å; D127-V129 VanDerWaalsContact C-N 3.3Å; D127-V129 PolarHBondContact O-N 3.05Å |
| 128 | A | 62.2 | Low | 69.3 | Low | 29 Ų | 29 | 113.9 Ų | 113.9 | 24% | 0.24 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -78 | -6.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K123 D132 | K123-A128 HydrophobicContact CD-CB 4.04Å; K123-A128 HydrophobicContact CG-CB 3.64Å; A128-D132 PolarHBondContact O-N 2.98Å |
| 129 | V | 66 | Low | 71.3 | Confident | 61 Ų | 61 | 113.9 Ų | 113.9 | 37% | 0.37 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.7 | -37.4 | -176 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | D127 N133 | D127-V129 VanDerWaalsContact C-N 3.3Å; D127-V129 PolarHBondContact O-N 3.05Å; V129-N133 WeakPolarHBondContact CG1-ND2 3.45Å; V129-N133 WeakPolarHBondContact O-CB 3.31Å; V129-N133 VanDerWaalsContact O-CG 3.27Å; V129-N133 PolarHBondContact O-ND2 3.47Å |
| 130 | F | 62.5 | Low | 73.3 | Confident | 167 Ų | 167 | 114.1 Ų | 114.1 | 73% | 0.732 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -78.3 | -40.4 | -178.9 | -64.6 | -73.5 | 0 | 0 | 0 | 112.2 | Y134 | F130-Y134 WeakPolarHBondContact O-CB 3.46Å; F130-Y134 PolarHBondContact O-N 3.16Å |
| 131 | T | 74.4 | Confident | 75 | Confident | 98 Ų | 98 | 113 Ų | 113 | 60% | 0.601 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64 | -48.7 | -176.8 | -49.9 | 0 | 0 | 0 | 0 | 112 | T135 | T131-T135 WeakPolarHBondContact O-CB 3.22Å; T131-T135 PolarHBondContact O-N 3.12Å; T131-T135 PolarHBondContact O-OG1 3.3Å |
| 132 | D | 78.7 | Confident | 76.7 | Confident | 90 Ų | 90 | 109.4 Ų | 109.4 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.8 | -48.7 | -178.3 | 176.5 | 55.5 | 0 | 0 | 0 | 112.1 | A128 Y134 T135 R136 | A128-D132 PolarHBondContact O-N 2.98Å; D132-Y134 PolarHBondContact O-N 3.15Å; D132-T135 PolarHBondContact O-N 3.42Å; D132-R136 WeakPolarHBondContact O-CB 3.5Å; D132-R136 PolarHBondContact O-N 3.24Å; D132-R136 IonicContact OD1-NH1 2.68Å; D132-R136 IonicContact OD2-CZ 3.71Å; D132-R136 IonicContact OD2-NH1 3.97Å; D132-R136 PolarHBondContact OD2-NH1 3.39Å |
| 133 | N | 82.2 | Confident | 78.5 | Confident | 74 Ų | 74 | 107 Ų | 107 | 40% | 0.396 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | -177.6 | -71.8 | -37 | 0 | 0 | 0 | 112.1 | V129 R136 L137 | V129-N133 WeakPolarHBondContact CG1-ND2 3.45Å; V129-N133 WeakPolarHBondContact O-CB 3.31Å; V129-N133 VanDerWaalsContact O-CG 3.27Å; V129-N133 PolarHBondContact O-ND2 3.47Å; N133-R136 PolarHBondContact O-N 3.42Å; N133-R136 PolarHBondContact OD1-NH2 2.96Å; N133-L137 PolarHBondContact O-N 3.05Å |
| 134 | Y | 85.3 | Confident | 80.3 | Confident | 139 Ų | 139 | 107.2 Ų | 107.2 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 178.4 | -179 | -103.5 | 0 | 0 | 0 | 111.8 | F130 D132 R136 L137 R138 | F130-Y134 WeakPolarHBondContact O-CB 3.46Å; F130-Y134 PolarHBondContact O-N 3.16Å; D132-Y134 PolarHBondContact O-N 3.15Å; Y134-R136 VanDerWaalsContact C-N 3.31Å; Y134-R136 PolarHBondContact O-N 3.39Å; Y134-L137 WeakPolarHBondContact O-CB 3.08Å; Y134-L137 PolarHBondContact O-N 3.28Å; Y134-R138 PolarHBondContact O-N 3.45Å |
| 135 | T | 87.2 | Confident | 81.6 | Confident | 56 Ų | 56 | 105.3 Ų | 105.3 | 34% | 0.344 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 176.7 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | T131 D132 R138 K139 | T131-T135 WeakPolarHBondContact O-CB 3.22Å; T131-T135 PolarHBondContact O-N 3.12Å; T131-T135 PolarHBondContact O-OG1 3.3Å; D132-T135 PolarHBondContact O-N 3.42Å; T135-R138 PolarHBondContact O-N 3.25Å; T135-K139 HydrophobicContact CG2-CD 4.31Å; T135-K139 WeakPolarHBondContact O-CG 3.45Å; T135-K139 PolarHBondContact O-N 2.9Å |
| 136 | R | 89.6 | Confident | 83.4 | Confident | 108 Ų | 108 | 104.2 Ų | 104.2 | 41% | 0.408 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 175.5 | -176 | 167.3 | 61.2 | -103.6 | 1.7 | 112.2 | D132 N133 Y134 R138 K139 Q140 | D132-R136 WeakPolarHBondContact O-CB 3.5Å; D132-R136 PolarHBondContact O-N 3.24Å; D132-R136 IonicContact OD1-NH1 2.68Å; D132-R136 IonicContact OD2-CZ 3.71Å; D132-R136 IonicContact OD2-NH1 3.97Å; D132-R136 PolarHBondContact OD2-NH1 3.39Å; N133-R136 PolarHBondContact O-N 3.42Å; N133-R136 PolarHBondContact OD1-NH2 2.96Å; Y134-R136 VanDerWaalsContact C-N 3.31Å; Y134-R136 PolarHBondContact O-N 3.39Å; R136-R138 VanDerWaalsContact C-N 3.29Å; R136-R138 PolarHBondContact O-N 3.19Å; R136-K139 PolarHBondContact O-N 3.44Å; R136-Q140 WeakPolarHBondContact O-CG 3.46Å; R136-Q140 PolarHBondContact O-N 3.46Å |
| 137 | L | 91.8 | Very high | 85.1 | Confident | 82 Ų | 82 | 104 Ų | 104 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.3 | -43 | 175.2 | 177.6 | 64.8 | 0 | 0 | 0 | 111.4 | N133 Y134 Q140 M141 | N133-L137 PolarHBondContact O-N 3.05Å; Y134-L137 WeakPolarHBondContact O-CB 3.08Å; Y134-L137 PolarHBondContact O-N 3.28Å; L137-Q140 PolarHBondContact O-N 2.97Å; L137-M141 HydrophobicContact CD1-CE 4.07Å; L137-M141 HydrophobicContact CD1-CG 4.46Å; L137-M141 WeakPolarHBondContact O-CG 3.48Å; L137-M141 PolarHBondContact O-N 3.48Å |
| 138 | R | 92.3 | Very high | 86.4 | Confident | 166 Ų | 166 | 102.6 Ų | 102.6 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -43.7 | 177.8 | -163.9 | -179.5 | -156.8 | 153.4 | 4.6 | 111.8 | Y134 T135 R136 M141 A142 | Y134-R138 PolarHBondContact O-N 3.45Å; T135-R138 PolarHBondContact O-N 3.25Å; R136-R138 VanDerWaalsContact C-N 3.29Å; R136-R138 PolarHBondContact O-N 3.19Å; R138-M141 PolarHBondContact O-N 3.35Å; R138-A142 WeakPolarHBondContact O-CB 3.48Å; R138-A142 PolarHBondContact O-N 3.27Å |
| 139 | K | 93.9 | Very high | 87.8 | Confident | 121 Ų | 121 | 103.5 Ų | 103.5 | 53% | 0.526 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 174.7 | -72.7 | -177.8 | 176.6 | -173 | 0 | 111.1 | T135 R136 M141 A142 V143 | T135-K139 HydrophobicContact CG2-CD 4.31Å; T135-K139 WeakPolarHBondContact O-CG 3.45Å; T135-K139 PolarHBondContact O-N 2.9Å; R136-K139 PolarHBondContact O-N 3.44Å; K139-M141 PolarHBondContact O-N 2.94Å; K139-A142 PolarHBondContact O-N 3.35Å; K139-V143 WeakPolarHBondContact O-CG2 3.16Å; K139-V143 PolarHBondContact O-N 3.1Å |
| 140 | Q | 95.1 | Very high | 89 | Confident | 119 Ų | 119 | 105.4 Ų | 105.4 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 175.6 | -73.6 | 179.1 | -21.3 | 0 | 0 | 112.5 | R136 L137 A142 V143 K144 | R136-Q140 WeakPolarHBondContact O-CG 3.46Å; R136-Q140 PolarHBondContact O-N 3.46Å; L137-Q140 PolarHBondContact O-N 2.97Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; Q140-V143 PolarHBondContact O-N 3.45Å; Q140-K144 WeakPolarHBondContact O-CB 3.41Å; Q140-K144 PolarHBondContact O-N 3.46Å |
| 141 | M | 94.2 | Very high | 90.2 | Very high | 97 Ų | 97 | 103.7 Ų | 103.7 | 48% | 0.478 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 175.8 | -72.2 | -66.2 | 173.8 | 0 | 0 | 112.1 | L137 R138 K139 K144 K145 | L137-M141 HydrophobicContact CD1-CE 4.07Å; L137-M141 HydrophobicContact CD1-CG 4.46Å; L137-M141 WeakPolarHBondContact O-CG 3.48Å; L137-M141 PolarHBondContact O-N 3.48Å; R138-M141 PolarHBondContact O-N 3.35Å; K139-M141 PolarHBondContact O-N 2.94Å; M141-K144 PolarHBondContact O-N 3.26Å; M141-K144 HydrophobicContact SD-CD 4.43Å; M141-K145 WeakPolarHBondContact O-CB 3.44Å; M141-K145 WeakPolarHBondContact O-CG 3.45Å; M141-K145 PolarHBondContact O-N 3.47Å |
| 142 | A | 93.9 | Very high | 90.8 | Very high | 37 Ų | 37 | 103.9 Ų | 103.9 | 31% | 0.306 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65 | -47.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R138 K139 Q140 K144 K145 Y146 | R138-A142 WeakPolarHBondContact O-CB 3.48Å; R138-A142 PolarHBondContact O-N 3.27Å; K139-A142 PolarHBondContact O-N 3.35Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; A142-K144 VanDerWaalsContact C-N 3.29Å; A142-K144 PolarHBondContact O-N 3.43Å; A142-K145 PolarHBondContact O-N 3.35Å; A142-K145 VanDerWaalsContact O-N 3.15Å; A142-Y146 WeakPolarHBondContact O-CB 3.36Å; A142-Y146 PolarHBondContact O-N 3.46Å |
| 143 | V | 95 | Very high | 90.4 | Very high | 96 Ų | 96 | 102.9 Ų | 102.9 | 58% | 0.582 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58 | -44.1 | 174.3 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | K139 Q140 Y146 L147 | K139-V143 WeakPolarHBondContact O-CG2 3.16Å; K139-V143 PolarHBondContact O-N 3.1Å; Q140-V143 PolarHBondContact O-N 3.45Å; V143-Y146 PolarHBondContact O-N 3.05Å; V143-L147 WeakPolarHBondContact O-CB 3.35Å; V143-L147 PolarHBondContact O-N 3.36Å |
| 144 | K | 95.2 | Very high | 89.3 | Confident | 128 Ų | 128 | 107.4 Ų | 107.4 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.1 | -45.3 | 175.5 | -176.8 | 178.6 | 178.6 | -178.2 | 0 | 111.8 | Q140 M141 A142 L147 N148 | Q140-K144 WeakPolarHBondContact O-CB 3.41Å; Q140-K144 PolarHBondContact O-N 3.46Å; M141-K144 PolarHBondContact O-N 3.26Å; M141-K144 HydrophobicContact SD-CD 4.43Å; A142-K144 VanDerWaalsContact C-N 3.29Å; A142-K144 PolarHBondContact O-N 3.43Å; K144-L147 PolarHBondContact O-N 3.06Å; K144-N148 PolarHBondContact O-N 3.13Å; K144-N148 PolarHBondContact O-ND2 2.88Å |
| 145 | K | 93.6 | Very high | 87.8 | Confident | 161 Ų | 161 | 112.2 Ų | 112.2 | 70% | 0.7 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61 | -45.3 | 176.8 | -79.5 | -175.3 | 177.2 | -169.6 | 0 | 111.4 | M141 A142 N148 S149 | M141-K145 WeakPolarHBondContact O-CB 3.44Å; M141-K145 WeakPolarHBondContact O-CG 3.45Å; M141-K145 PolarHBondContact O-N 3.47Å; A142-K145 PolarHBondContact O-N 3.35Å; A142-K145 VanDerWaalsContact O-N 3.15Å; K145-N148 PolarHBondContact O-N 3.11Å; K145-S149 PolarHBondContact O-N 2.94Å |
| 146 | Y | 93.7 | Very high | 86.3 | Confident | 158 Ų | 158 | 113.4 Ų | 113.4 | 62% | 0.62 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.1 | -48 | 177.5 | 176.2 | -110.6 | 0 | 0 | 0 | 112 | A142 V143 N148 S149 I150 | A142-Y146 WeakPolarHBondContact O-CB 3.36Å; A142-Y146 PolarHBondContact O-N 3.46Å; V143-Y146 PolarHBondContact O-N 3.05Å; Y146-N148 PolarHBondContact O-N 2.84Å; Y146-S149 WeakPolarHBondContact O-CB 3.19Å; Y146-S149 PolarHBondContact O-N 3.31Å; Y146-S149 VanDerWaalsContact O-N 3.1Å; Y146-I150 HydrophobicContact CD1-CD1 3.72Å; Y146-I150 HydrophobicContact CD2-CD1 4.26Å; Y146-I150 HydrophobicContact CE1-CD1 3.2Å; Y146-I150 HydrophobicContact CE1-CG1 4.38Å; Y146-I150 HydrophobicContact CE2-CD1 3.8Å; Y146-I150 HydrophobicContact CE2-CG1 4.21Å; Y146-I150 HydrophobicContact CG-CD1 4.23Å; Y146-I150 PolarHBondContact O-N 3.48Å |
| 147 | L | 94.9 | Very high | 84.4 | Confident | 99 Ų | 99 | 113.2 Ų | 113.2 | 52% | 0.518 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.7 | -44.4 | 178.4 | -170.8 | 158.3 | 0 | 0 | 0 | 111.8 | V143 K144 S149 I150 L151 | V143-L147 WeakPolarHBondContact O-CB 3.35Å; V143-L147 PolarHBondContact O-N 3.36Å; K144-L147 PolarHBondContact O-N 3.06Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.29Å; L147-I150 PolarHBondContact O-N 3.33Å; L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 PolarHBondContact O-N 2.79Å |
| 148 | N | 92.6 | Very high | 82.5 | Confident | 69 Ų | 69 | 117.5 Ų | 117.5 | 37% | 0.369 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.8 | -36.4 | 175.4 | -75.9 | -66.9 | 0 | 0 | 0 | 112.2 | K144 K145 Y146 N152 | K144-N148 PolarHBondContact O-N 3.13Å; K144-N148 PolarHBondContact O-ND2 2.88Å; K145-N148 PolarHBondContact O-N 3.11Å; Y146-N148 PolarHBondContact O-N 2.84Å; N148-N152 WeakPolarHBondContact O-CB 3.44Å; N148-N152 PolarHBondContact O-N 3.15Å; N148-N152 PolarHBondContact O-OD1 2.72Å; N148-N152 VanDerWaalsContact O-OD1 3.09Å |
| 149 | S | 91 | Very high | 80.5 | Confident | 48 Ų | 48 | 112.8 Ų | 112.8 | 34% | 0.336 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64 | -44.1 | 176.2 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | K145 Y146 L147 S156 | K145-S149 PolarHBondContact O-N 2.94Å; Y146-S149 WeakPolarHBondContact O-CB 3.19Å; Y146-S149 PolarHBondContact O-N 3.31Å; Y146-S149 VanDerWaalsContact O-N 3.1Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.29Å; S149-S156 PolarHBondContact OG-OG 3.3Å; S149-S156 VanDerWaalsContact OG-OG 3.12Å |
| 150 | I | 91.6 | Very high | 78.4 | Confident | 100 Ų | 100 | 114.3 Ų | 114.3 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.6 | -49.8 | 176.9 | -64.7 | 163.1 | 0 | 0 | 0 | 111.3 | Y146 L147 N152 G153 | Y146-I150 HydrophobicContact CD1-CD1 3.72Å; Y146-I150 HydrophobicContact CD2-CD1 4.26Å; Y146-I150 HydrophobicContact CE1-CD1 3.2Å; Y146-I150 HydrophobicContact CE1-CG1 4.38Å; Y146-I150 HydrophobicContact CE2-CD1 3.8Å; Y146-I150 HydrophobicContact CE2-CG1 4.21Å; Y146-I150 HydrophobicContact CG-CD1 4.23Å; Y146-I150 PolarHBondContact O-N 3.48Å; L147-I150 PolarHBondContact O-N 3.33Å; I150-N152 VanDerWaalsContact C-N 3.32Å; I150-N152 PolarHBondContact O-N 3.41Å; I150-G153 PolarHBondContact O-N 3.36Å; I150-G153 VanDerWaalsContact O-N 3.15Å |
| 151 | L | 88.9 | Confident | 76.3 | Confident | 131 Ų | 131 | 113.8 Ų | 113.8 | 69% | 0.686 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.2 | -38 | -174.8 | -177.6 | 63.9 | 0 | 0 | 0 | 111.9 | L147 G153 | L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 PolarHBondContact O-N 2.79Å; L151-G153 PolarHBondContact O-N 3.24Å; L151-G153 VanDerWaalsContact O-N 3.13Å |
| 152 | N | 86.6 | Confident | 74.5 | Confident | 103 Ų | 103 | 113.7 Ų | 113.7 | 55% | 0.551 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -2.2 | -178.2 | -68.1 | 23.6 | 0 | 0 | 0 | 112.2 | N148 I150 K154 | N148-N152 WeakPolarHBondContact O-CB 3.44Å; N148-N152 PolarHBondContact O-N 3.15Å; N148-N152 PolarHBondContact O-OD1 2.72Å; N148-N152 VanDerWaalsContact O-OD1 3.09Å; I150-N152 VanDerWaalsContact C-N 3.32Å; I150-N152 PolarHBondContact O-N 3.41Å; N152-K154 WeakPolarHBondContact O-CB 3.37Å; N152-K154 WeakPolarHBondContact O-CG 2.99Å; N152-K154 PolarHBondContact O-N 3.5Å |
| 153 | G | 70.6 | Confident | 72.6 | Confident | 69 Ų | 69 | 117.2 Ų | 117.2 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.4 | 6.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | I150 L151 | I150-G153 PolarHBondContact O-N 3.36Å; I150-G153 VanDerWaalsContact O-N 3.15Å; L151-G153 PolarHBondContact O-N 3.24Å; L151-G153 VanDerWaalsContact O-N 3.13Å |
| 154 | K | 58.1 | Low | 70.7 | Confident | 168 Ų | 168 | 118.6 Ų | 118.6 | 73% | 0.73 | 63% | 0.634 | S | S | * | * | trans | -111.2 | 122.6 | -168.4 | -82.1 | 177.4 | 178.2 | 179.3 | 0 | 107.5 | N152 S156 | N152-K154 WeakPolarHBondContact O-CB 3.37Å; N152-K154 WeakPolarHBondContact O-CG 2.99Å; N152-K154 PolarHBondContact O-N 3.5Å; K154-S156 PolarHBondContact O-N 3.03Å | ||
| 155 | R | 54.4 | Low | 68.6 | Low | 241 Ų | 241 | 119.7 Ų | 119.7 | 91% | 0.909 | 65% | 0.645 | S | S | * | * | trans | -49.7 | 71.5 | 168.6 | -54.6 | 163.8 | 74.1 | 92.4 | -0.5 | 110.9 | S157 | R155-S157 PolarHBondContact O-N 3.11Š| ||
| 156 | S | 55.7 | Low | 66.8 | Low | 80 Ų | 80 | 119.2 Ų | 119.2 | 56% | 0.559 | 65% | 0.646 | S | S | * | * | trans | -70.9 | 61.8 | 157.7 | 61.3 | 0 | 0 | 0 | 0 | 107.4 | S149 K154 E158 | S149-S156 PolarHBondContact OG-OG 3.3Å; S149-S156 VanDerWaalsContact OG-OG 3.12Å; K154-S156 PolarHBondContact O-N 3.03Å; S156-E158 PolarHBondContact O-N 3.02Å | ||
| 157 | S | 50 | Low | 65 | Low | 104 Ų | 104 | 118.4 Ų | 118.4 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | trans | -72.1 | 68 | 154.9 | 169.2 | 0 | 0 | 0 | 0 | 105.5 | R155 | R155-S157 PolarHBondContact O-N 3.11Š| ||
| 158 | E | 51.6 | Low | 62.9 | Low | 172 Ų | 172 | 121 Ų | 121 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | trans | -123.3 | 85.5 | 163.4 | -162.5 | 66 | -126.6 | 0 | 0 | 105.9 | S156 D160 | S156-E158 PolarHBondContact O-N 3.02Å; E158-D160 PolarHBondContact O-N 3.26Å | ||
| 159 | G | 50 | Low | 60.4 | Low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 81.7 | -18 | 133.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||
| 160 | D | 50.8 | Low | 58 | Low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | -114.5 | 86 | 178 | -78.9 | -26.6 | 0 | 0 | 0 | 110.1 | E158 P162 | E158-D160 PolarHBondContact O-N 3.26Å; D160-P162 VanDerWaalsContact O-CD 3.24Å; D160-P162 WeakPolarHBondContact O-CD 3.47Å; D160-P162 VanDerWaalsContact O-N 3.12Å | ||
| 161 | S | 49.9 | Very low | 56.3 | Low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | -53.2 | 113.6 | 162.8 | 47.9 | 0 | 0 | 0 | 0 | 108.4 | D163 | S161-D163 PolarHBondContact O-N 3.01Å; S161-D163 VanDerWaalsContact O-N 3.11Å | ||
| 162 | P | 56.3 | Low | 54.6 | Low | 95 Ų | 95 | 138.6 Ų | 138.6 | 62% | 0.617 | 74% | 0.735 | S | S | * | * | trans | -78.7 | 108.4 | -178.8 | 34.1 | -33.4 | 0 | 0 | 0 | 107 | D160 F164 | D160-P162 VanDerWaalsContact O-CD 3.24Å; D160-P162 WeakPolarHBondContact O-CD 3.47Å; D160-P162 VanDerWaalsContact O-N 3.12Å; P162-F164 HydrophobicContact CB-CD2 3.61Å; P162-F164 HydrophobicContact CB-CE2 3.8Å; P162-F164 HydrophobicContact CG-CD2 4.13Å; P162-F164 PolarHBondContact O-N 3.06Å | ||
| 163 | D | 54.1 | Low | 52.8 | Low | 110 Ų | 110 | 140.6 Ų | 140.6 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | trans | -68.8 | 58.7 | 177.9 | -163.6 | 15.4 | 0 | 0 | 0 | 111 | S161 L165 | S161-D163 PolarHBondContact O-N 3.01Å; S161-D163 VanDerWaalsContact O-N 3.11Å; D163-L165 VanDerWaalsContact C-N 3.29Å | ||
| 164 | F | 54.7 | Low | 51.7 | Low | 125 Ų | 125 | 144.8 Ų | 144.8 | 55% | 0.548 | 75% | 0.747 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | -16.5 | 175.6 | -86.8 | -72.5 | 0 | 0 | 0 | 112 | P162 | P162-F164 HydrophobicContact CB-CD2 3.61Å; P162-F164 HydrophobicContact CB-CE2 3.8Å; P162-F164 HydrophobicContact CG-CD2 4.13Å; P162-F164 PolarHBondContact O-N 3.06Å |
| 165 | L | 52 | Low | 51.3 | Low | 151 Ų | 151 | 143.3 Ų | 143.3 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -27.8 | -178.3 | -70.3 | -170.6 | 0 | 0 | 0 | 113 | D163 | D163-L165 VanDerWaalsContact C-N 3.29Š|
| 166 | E | 56.4 | Low | 51.1 | Low | 152 Ų | 152 | 136.8 Ų | 136.8 | 71% | 0.71 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -28.1 | 174.9 | -86.3 | -151.6 | 159.5 | 0 | 0 | 113.8 | L168 | E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.94Å |
| 167 | E | 54.7 | Low | 50.8 | Low | 141 Ų | 141 | 140.9 Ų | 140.9 | 66% | 0.659 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -8.8 | -176 | -147.2 | -177.1 | 174.9 | 0 | 0 | 113.7 | ||
| 168 | L | 51.5 | Low | 50.9 | Low | 154 Ų | 154 | 143.7 Ų | 143.7 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -6.5 | 178.9 | -103.9 | 156.8 | 0 | 0 | 0 | 114.3 | E166 | E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.94Å |
| 169 | E | 39.5 | Very low | 50.8 | Low | 182 Ų | 182 | 141.3 Ų | 141.3 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | -105.4 | 25.3 | 178.6 | -150.1 | -175.6 | 163.9 | 0 | 0 | 114 | ||||
| 170 | K | 39.8 | Very low | 50.9 | Low | 257 Ų | 257 | 148 Ų | 148 | 100% | 1.117 | 75% | 0.751 | S | S | * | * | trans | -140.4 | 0 | 173.4 | -159.5 | -177.4 | 179.7 | -160.6 | 0 | 113.3 |
Retrieved 170 of 170 residues in 29.2 ms
(Link to these results)