| 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 | 38.3 | Very low | 44.7 | Very low | 233 Ų | 233 | 149.3 Ų | 149.3 | 100% | 1.148 | 82% | 0.817 | S | S | * | * | 0 | 100.3 | 0 | -66.5 | -61.2 | -93.5 | 0 | 0 | 107.6 | |||||
| 2 | S | 43.8 | Very low | 44.8 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -91.6 | 115.5 | -177.9 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | L4 | S2-L4 PolarHBondContact O-N 3.23Š| ||
| 3 | V | 45.1 | Very low | 45.3 | Very low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -80.6 | 111.1 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | S5 | V3-S5 PolarHBondContact O-N 3.36Š| ||
| 4 | L | 50.7 | Low | 45.9 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.9 | 172.8 | -69.3 | 168.5 | 0 | 0 | 0 | 108.7 | S2 | S2-L4 PolarHBondContact O-N 3.23Š|
| 5 | S | 47.2 | Very low | 46 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.3 | 169.8 | -75 | 0 | 0 | 0 | 0 | 109.8 | V3 E7 | V3-S5 PolarHBondContact O-N 3.36Å; S5-E7 PolarHBondContact O-N 3.05Å; S5-E7 VanDerWaalsContact O-N 3.1Å |
| 6 | P | 49.8 | Very low | 46 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 116.3 | 177.3 | -13.2 | 26.9 | 0 | 0 | 0 | 109.3 | I8 | P6-I8 PolarHBondContact O-N 3.42Å; P6-I8 VanDerWaalsContact O-N 3.09Å |
| 7 | E | 41.4 | Very low | 46.5 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -73.5 | 99.6 | 172.8 | -153.7 | 168.9 | -143.8 | 0 | 0 | 107.5 | S5 K9 | S5-E7 PolarHBondContact O-N 3.05Å; S5-E7 VanDerWaalsContact O-N 3.1Å; E7-K9 VanDerWaalsContact C-N 3.34Å; E7-K9 PolarHBondContact O-N 3Å | ||
| 8 | I | 46.3 | Very low | 46.9 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -70.9 | 93.9 | 179.6 | -57.8 | 169.1 | 0 | 0 | 0 | 107.3 | P6 C10 | P6-I8 PolarHBondContact O-N 3.42Å; P6-I8 VanDerWaalsContact O-N 3.09Å; I8-C10 VanDerWaalsContact C-N 3.35Å; I8-C10 PolarHBondContact O-N 2.83Å | ||
| 9 | K | 44.8 | Very low | 47.3 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 73% | 0.726 | 78% | 0.776 | S | S | * | * | trans | -76.6 | 91.5 | 170.7 | -62.6 | -166.2 | 179.4 | -174.6 | 0 | 108 | E7 E11 | E7-K9 VanDerWaalsContact C-N 3.34Å; E7-K9 PolarHBondContact O-N 3Å; K9-E11 PolarHBondContact O-N 3.11Å | ||
| 10 | C | 42.8 | Very low | 47.7 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | trans | -65.9 | 103.1 | 166.6 | -64.7 | 0 | 0 | 0 | 0 | 107.6 | I8 T12 | I8-C10 VanDerWaalsContact C-N 3.35Å; I8-C10 PolarHBondContact O-N 2.83Å; C10-T12 PolarHBondContact O-N 3.5Å | ||
| 11 | E | 41.8 | Very low | 48 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -60.9 | 110.5 | 167.9 | -73.5 | -171.7 | 162.8 | 0 | 0 | 108.3 | K9 S13 | K9-E11 PolarHBondContact O-N 3.11Å; E11-S13 PolarHBondContact O-N 2.83Å | ||
| 12 | T | 46.1 | Very low | 48.8 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 83% | 0.828 | 72% | 0.724 | S | S | * | * | trans | -71.5 | 75.3 | 175.5 | -30.6 | 0 | 0 | 0 | 0 | 108.4 | C10 K14 | C10-T12 PolarHBondContact O-N 3.5Å; T12-K14 PolarHBondContact O-N 3.26Å | ||
| 13 | S | 51.1 | Low | 49.3 | Very low | 82 Ų | 82 | 127.2 Ų | 127.2 | 57% | 0.573 | 70% | 0.702 | S | S | * | * | trans | -51.7 | 127.7 | 166.3 | 126.7 | 0 | 0 | 0 | 0 | 106.9 | E11 F15 | E11-S13 PolarHBondContact O-N 2.83Å; S13-F15 PolarHBondContact O-N 2.74Å | ||
| 14 | K | 52.8 | Low | 49.7 | Very low | 212 Ų | 212 | 125.2 Ų | 125.2 | 92% | 0.922 | 69% | 0.686 | S | S | * | * | trans | -67.9 | 75.8 | 178.3 | -66.5 | -161.4 | -178.6 | -177 | 0 | 109.4 | T12 | T12-K14 PolarHBondContact O-N 3.26Š| ||
| 15 | F | 47.9 | Very low | 50.1 | Low | 142 Ų | 142 | 123 Ų | 123 | 62% | 0.623 | 67% | 0.674 | S | S | * | * | trans | -82.8 | 122.7 | -179.4 | -144.1 | -87.9 | 0 | 0 | 0 | 108.4 | S13 R17 F20 | S13-F15 PolarHBondContact O-N 2.74Å; F15-R17 PolarHBondContact O-N 3.23Å; F15-F20 HydrophobicContact CD1-CD2 4.43Å; F15-F20 AromaticContact CD1-CE2 3.65Å; F15-F20 HydrophobicContact CD1-CE2 3.65Å; F15-F20 HydrophobicContact CE1-CE2 4.17Å; F15-F20 HydrophobicContact CG-CE2 4.48Å | ||
| 16 | T | 46.8 | Very low | 50.8 | Low | 99 Ų | 99 | 124.5 Ų | 124.5 | 61% | 0.607 | 67% | 0.667 | S | S | * | * | trans | -62.1 | 121.1 | -172.7 | -40.3 | 0 | 0 | 0 | 0 | 110.7 | S18 S19 | T16-S18 WeakPolarHBondContact CG2-OG 3.23Å; T16-S18 PolarHBondContact O-N 3.02Å; T16-S19 PolarHBondContact O-N 2.97Å | ||
| 17 | R | 53.5 | Low | 52 | Low | 234 Ų | 234 | 123 Ų | 123 | 88% | 0.883 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -54.4 | -15.3 | -178.6 | 178.8 | 173.7 | 149.1 | 162.6 | -5.4 | 114.6 | F15 | F15-R17 PolarHBondContact O-N 3.23Š|
| 18 | S | 53.3 | Low | 53.6 | Low | 107 Ų | 107 | 118.6 Ų | 118.6 | 75% | 0.748 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -77.2 | -14.4 | -179.9 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | T16 | T16-S18 WeakPolarHBondContact CG2-OG 3.23Å; T16-S18 PolarHBondContact O-N 3.02Å |
| 19 | S | 55.5 | Low | 55.3 | Low | 81 Ų | 81 | 115 Ų | 115 | 57% | 0.566 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -88.6 | -2 | -179.2 | -169.1 | 0 | 0 | 0 | 0 | 114.2 | T16 | T16-S19 PolarHBondContact O-N 2.97Š|
| 20 | F | 54.3 | Low | 57.2 | Low | 80 Ų | 80 | 114.9 Ų | 114.9 | 35% | 0.351 | 62% | 0.62 | S | S | . | * | trans | -101.6 | 3.7 | -167.7 | -90.2 | -92.1 | 0 | 0 | 0 | 115.4 | F15 S22 C23 L24 | F15-F20 HydrophobicContact CD1-CD2 4.43Å; F15-F20 AromaticContact CD1-CE2 3.65Å; F15-F20 HydrophobicContact CD1-CE2 3.65Å; F15-F20 HydrophobicContact CE1-CE2 4.17Å; F15-F20 HydrophobicContact CG-CE2 4.48Å; F20-S22 PolarHBondContact O-N 2.68Å; F20-C23 HydrophobicContact CD1-CB 3.43Å; F20-C23 VanDerWaalsContact CD1-CB 3.43Å; F20-C23 HydrophobicContact CE1-CB 3.89Å; F20-C23 VanDerWaalsContact CE1-SG 3.54Å; F20-C23 HydrophobicContact CG-CB 4.31Å; F20-C23 PolarHBondContact O-N 2.97Å; F20-L24 HydrophobicContact CB-CD1 4.4Å; F20-L24 HydrophobicContact CB-CG 4.21Å; F20-L24 WeakPolarHBondContact O-CG 3.46Å; F20-L24 PolarHBondContact O-N 3.01Å | ||
| 21 | G | 55.2 | Low | 59.4 | Low | 57 Ų | 57 | 115.6 Ų | 115.6 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -52.3 | -35.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 22 | S | 54.8 | Low | 61.8 | Low | 97 Ų | 97 | 113.3 Ų | 113.3 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -85.7 | -28.9 | 176.2 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | F20 | F20-S22 PolarHBondContact O-N 2.68Å |
| 23 | C | 53.3 | Low | 63.9 | Low | 57 Ų | 57 | 109.2 Ų | 109.2 | 39% | 0.385 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -79.6 | -28.3 | -179 | -177.5 | 0 | 0 | 0 | 0 | 112.7 | F20 F26 E27 | F20-C23 HydrophobicContact CD1-CB 3.43Å; F20-C23 VanDerWaalsContact CD1-CB 3.43Å; F20-C23 HydrophobicContact CE1-CB 3.89Å; F20-C23 VanDerWaalsContact CE1-SG 3.54Å; F20-C23 HydrophobicContact CG-CB 4.31Å; F20-C23 PolarHBondContact O-N 2.97Å; C23-F26 PolarHBondContact O-N 2.67Å; C23-E27 PolarHBondContact O-N 3.25Å; C23-E27 VanDerWaalsContact O-N 3.08Å |
| 24 | L | 55.1 | Low | 65.9 | Low | 96 Ų | 96 | 108.7 Ų | 108.7 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.7 | -33.4 | 176.1 | -66.8 | 170.2 | 0 | 0 | 0 | 112.6 | F20 F26 E27 S28 | F20-L24 HydrophobicContact CB-CD1 4.4Å; F20-L24 HydrophobicContact CB-CG 4.21Å; F20-L24 WeakPolarHBondContact O-CG 3.46Å; F20-L24 PolarHBondContact O-N 3.01Å; L24-F26 VanDerWaalsContact C-N 3.32Å; L24-E27 PolarHBondContact O-N 2.94Å; L24-S28 PolarHBondContact O-N 3.34Å |
| 25 | I | 57.6 | Low | 67.9 | Low | 115 Ų | 115 | 103.8 Ų | 103.8 | 59% | 0.59 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.4 | -44.8 | 174.8 | -58.4 | -64.2 | 0 | 0 | 0 | 109.6 | E27 S28 S29 | I25-E27 VanDerWaalsContact C-N 3.34Å; I25-E27 PolarHBondContact O-N 3.29Å; I25-S28 PolarHBondContact O-N 2.93Å; I25-S28 PolarHBondContact O-OG 3.23Å; I25-S29 PolarHBondContact O-N 3.31Å; I25-S29 PolarHBondContact O-OG 3.18Å |
| 26 | F | 63 | Low | 70.1 | Confident | 140 Ų | 140 | 101.3 Ų | 101.3 | 61% | 0.614 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -37.5 | 176.6 | -172.8 | -103 | 0 | 0 | 0 | 112.7 | C23 L24 S28 S29 W30 | C23-F26 PolarHBondContact O-N 2.67Å; L24-F26 VanDerWaalsContact C-N 3.32Å; F26-S28 PolarHBondContact O-N 2.89Å; F26-S29 PolarHBondContact O-N 2.88Å; F26-W30 HydrophobicContact CZ-CE3 4.48Å; F26-W30 WeakPolarHBondContact O-CB 3.27Å; F26-W30 PolarHBondContact O-N 3.41Å |
| 27 | E | 74.5 | Confident | 72.3 | Confident | 85 Ų | 85 | 101 Ų | 101 | 40% | 0.397 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 178.4 | -167 | -171.4 | 165.2 | 0 | 0 | 112.4 | C23 L24 I25 W30 K31 | C23-E27 PolarHBondContact O-N 3.25Å; C23-E27 VanDerWaalsContact O-N 3.08Å; L24-E27 PolarHBondContact O-N 2.94Å; I25-E27 VanDerWaalsContact C-N 3.34Å; I25-E27 PolarHBondContact O-N 3.29Å; E27-W30 PolarHBondContact O-N 2.96Å; E27-K31 HydrophobicContact CG-CD 4.49Å; E27-K31 WeakPolarHBondContact O-CG 3.26Å; E27-K31 PolarHBondContact O-N 2.73Å; E27-K31 WeakPolarHBondContact OE1-CE 3.44Å; E27-K31 IonicContact OE1-NZ 2.67Å; E27-K31 PolarHBondContact OE1-NZ 3.22Å |
| 28 | S | 75.1 | Confident | 74 | Confident | 71 Ų | 71 | 94.4 Ų | 94.4 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 179.9 | 73.4 | 0 | 0 | 0 | 0 | 112.5 | L24 I25 F26 K31 K32 | L24-S28 PolarHBondContact O-N 3.34Å; I25-S28 PolarHBondContact O-N 2.93Å; I25-S28 PolarHBondContact O-OG 3.23Å; F26-S28 PolarHBondContact O-N 2.89Å; S28-K31 PolarHBondContact O-N 2.67Å; S28-K32 PolarHBondContact O-N 3.01Å |
| 29 | S | 81 | Confident | 76 | Confident | 70 Ų | 70 | 94.7 Ų | 94.7 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 175.8 | -61 | 0 | 0 | 0 | 0 | 111.3 | I25 F26 K32 A33 | I25-S29 PolarHBondContact O-N 3.31Å; I25-S29 PolarHBondContact O-OG 3.18Å; F26-S29 PolarHBondContact O-N 2.88Å; S29-K32 PolarHBondContact O-N 3.31Å; S29-A33 WeakPolarHBondContact O-CB 3.05Å; S29-A33 PolarHBondContact O-N 3.13Å |
| 30 | W | 85 | Confident | 77.7 | Confident | 163 Ų | 163 | 95 Ų | 95 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -46.8 | 176.9 | -172.2 | -101.1 | 0 | 0 | 0 | 112.1 | F26 E27 K32 A33 V34 | F26-W30 HydrophobicContact CZ-CE3 4.48Å; F26-W30 WeakPolarHBondContact O-CB 3.27Å; F26-W30 PolarHBondContact O-N 3.41Å; E27-W30 PolarHBondContact O-N 2.96Å; W30-K32 VanDerWaalsContact C-N 3.27Å; W30-K32 PolarHBondContact O-N 3.42Å; W30-A33 PolarHBondContact O-N 3.29Å; W30-V34 WeakPolarHBondContact O-CG2 3.26Å; W30-V34 PolarHBondContact O-N 3.08Å |
| 31 | K | 89 | Confident | 79.3 | Confident | 119 Ų | 119 | 95.8 Ų | 95.8 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.9 | -43 | 175.1 | -76 | 176.9 | -176.7 | 169.6 | 0 | 111.5 | E27 S28 V34 L35 | E27-K31 HydrophobicContact CG-CD 4.49Å; E27-K31 WeakPolarHBondContact O-CG 3.26Å; E27-K31 PolarHBondContact O-N 2.73Å; E27-K31 WeakPolarHBondContact OE1-CE 3.44Å; E27-K31 IonicContact OE1-NZ 2.67Å; E27-K31 PolarHBondContact OE1-NZ 3.22Å; S28-K31 PolarHBondContact O-N 2.67Å; K31-V34 PolarHBondContact O-N 3.37Å; K31-L35 WeakPolarHBondContact O-CG 3.32Å; K31-L35 PolarHBondContact O-N 2.7Å; K31-L35 VanDerWaalsContact O-N 3.13Å |
| 32 | K | 92.1 | Very high | 80.9 | Confident | 138 Ų | 138 | 99.2 Ų | 99.2 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.9 | -46.6 | 176.3 | -169.2 | 176.4 | -179.2 | -178.3 | 0 | 111.7 | S28 S29 W30 V34 L35 E36 | S28-K32 PolarHBondContact O-N 3.01Å; S29-K32 PolarHBondContact O-N 3.31Å; W30-K32 VanDerWaalsContact C-N 3.27Å; W30-K32 PolarHBondContact O-N 3.42Å; K32-V34 VanDerWaalsContact C-N 3.31Å; K32-V34 PolarHBondContact O-N 3.5Å; K32-L35 PolarHBondContact O-N 2.86Å; K32-E36 WeakPolarHBondContact O-CG 3.48Å; K32-E36 PolarHBondContact O-N 2.93Å |
| 33 | A | 91.2 | Very high | 82.6 | Confident | 49 Ų | 49 | 99.4 Ų | 99.4 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S29 W30 T37 | S29-A33 WeakPolarHBondContact O-CB 3.05Å; S29-A33 PolarHBondContact O-N 3.13Å; W30-A33 PolarHBondContact O-N 3.29Å; A33-T37 VanDerWaalsContact O-CB 3.32Å; A33-T37 WeakPolarHBondContact O-CB 3.33Å; A33-T37 PolarHBondContact O-N 3.09Å; A33-T37 PolarHBondContact O-OG1 3.25Å |
| 34 | V | 92.9 | Very high | 84.1 | Confident | 71 Ų | 71 | 103.4 Ų | 103.4 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.6 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | W30 K31 K32 T37 Q38 | W30-V34 WeakPolarHBondContact O-CG2 3.26Å; W30-V34 PolarHBondContact O-N 3.08Å; K31-V34 PolarHBondContact O-N 3.37Å; K32-V34 VanDerWaalsContact C-N 3.31Å; K32-V34 PolarHBondContact O-N 3.5Å; V34-T37 PolarHBondContact O-N 2.92Å; V34-Q38 WeakPolarHBondContact O-CB 3.29Å; V34-Q38 PolarHBondContact O-N 2.95Å |
| 35 | L | 93.8 | Very high | 85.7 | Confident | 109 Ų | 109 | 101 Ų | 101 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -45.6 | 179.5 | -71.6 | 171.5 | 0 | 0 | 0 | 112.3 | K31 K32 T37 Q38 K39 | K31-L35 WeakPolarHBondContact O-CG 3.32Å; K31-L35 PolarHBondContact O-N 2.7Å; K31-L35 VanDerWaalsContact O-N 3.13Å; K32-L35 PolarHBondContact O-N 2.86Å; L35-T37 VanDerWaalsContact C-N 3.34Å; L35-T37 PolarHBondContact O-N 3.39Å; L35-Q38 PolarHBondContact O-N 2.71Å; L35-K39 PolarHBondContact O-N 3.49Å |
| 36 | E | 94.7 | Very high | 87.2 | Confident | 89 Ų | 89 | 101 Ų | 101 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 177.1 | -66.3 | -58.4 | 157.6 | 0 | 0 | 111.3 | K32 Q38 K39 I40 | K32-E36 WeakPolarHBondContact O-CG 3.48Å; K32-E36 PolarHBondContact O-N 2.93Å; E36-Q38 VanDerWaalsContact C-N 3.3Å; E36-Q38 PolarHBondContact O-N 2.96Å; E36-K39 WeakPolarHBondContact O-CB 3.33Å; E36-K39 PolarHBondContact O-N 3.23Å; E36-I40 WeakPolarHBondContact O-CG1 3.29Å; E36-I40 PolarHBondContact O-N 3.1Å |
| 37 | T | 92.4 | Very high | 88.4 | Confident | 94 Ų | 94 | 98.1 Ų | 98.1 | 58% | 0.577 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | A33 V34 L35 K39 K41 | A33-T37 VanDerWaalsContact O-CB 3.32Å; A33-T37 WeakPolarHBondContact O-CB 3.33Å; A33-T37 PolarHBondContact O-N 3.09Å; A33-T37 PolarHBondContact O-OG1 3.25Å; V34-T37 PolarHBondContact O-N 2.92Å; L35-T37 VanDerWaalsContact C-N 3.34Å; L35-T37 PolarHBondContact O-N 3.39Å; T37-K39 VanDerWaalsContact C-N 3.35Å; T37-K41 WeakPolarHBondContact O-CB 3.44Å; T37-K41 PolarHBondContact O-N 3.19Å |
| 38 | Q | 90.4 | Very high | 89 | Confident | 95 Ų | 95 | 101 Ų | 101 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 177.3 | -170 | -176.7 | 6.5 | 0 | 0 | 112 | V34 L35 E36 K41 K42 | V34-Q38 WeakPolarHBondContact O-CB 3.29Å; V34-Q38 PolarHBondContact O-N 2.95Å; L35-Q38 PolarHBondContact O-N 2.71Å; E36-Q38 VanDerWaalsContact C-N 3.3Å; E36-Q38 PolarHBondContact O-N 2.96Å; Q38-K41 PolarHBondContact O-N 2.94Å; Q38-K42 WeakPolarHBondContact O-CG 3.35Å; Q38-K42 PolarHBondContact O-N 2.92Å; Q38-K42 VanDerWaalsContact O-N 3.08Å |
| 39 | K | 94.3 | Very high | 89.4 | Confident | 113 Ų | 113 | 100.9 Ų | 100.9 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -52.3 | 175.7 | 179.2 | -176.9 | 169.6 | -170.9 | 0 | 111.1 | L35 E36 T37 K41 K42 E43 | L35-K39 PolarHBondContact O-N 3.49Å; E36-K39 WeakPolarHBondContact O-CB 3.33Å; E36-K39 PolarHBondContact O-N 3.23Å; T37-K39 VanDerWaalsContact C-N 3.35Å; K39-K41 VanDerWaalsContact C-N 3.3Å; K39-K41 PolarHBondContact O-N 2.77Å; K39-K42 PolarHBondContact O-N 2.91Å; K39-K42 VanDerWaalsContact O-N 3.13Å; K39-E43 WeakPolarHBondContact CE-OE1 3.48Å; K39-E43 WeakPolarHBondContact CG-OE1 3.46Å; K39-E43 WeakPolarHBondContact O-CG 3.4Å; K39-E43 PolarHBondContact O-N 3.21Å |
| 40 | I | 91 | Very high | 89.2 | Confident | 86 Ų | 86 | 102.9 Ų | 102.9 | 44% | 0.441 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57 | -46.5 | 177 | -66.9 | 167.2 | 0 | 0 | 0 | 110.1 | E36 K42 E43 Y44 | E36-I40 WeakPolarHBondContact O-CG1 3.29Å; E36-I40 PolarHBondContact O-N 3.1Å; I40-K42 VanDerWaalsContact C-N 3.3Å; I40-K42 PolarHBondContact O-N 3.13Å; I40-E43 PolarHBondContact O-N 2.93Å; I40-Y44 HydrophobicContact CG2-CD2 3.67Å; I40-Y44 HydrophobicContact CG2-CE2 3.77Å; I40-Y44 VanDerWaalsContact O-CD2 3.29Å; I40-Y44 WeakPolarHBondContact O-CD2 3.35Å; I40-Y44 PolarHBondContact O-N 2.94Å |
| 41 | K | 88.2 | Confident | 88.7 | Confident | 98 Ų | 98 | 101.8 Ų | 101.8 | 43% | 0.426 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -54.2 | -46.9 | 177.4 | -173.4 | -172.3 | -179 | -169.7 | 0 | 111.7 | T37 Q38 K39 T45 E52 | T37-K41 WeakPolarHBondContact O-CB 3.44Å; T37-K41 PolarHBondContact O-N 3.19Å; Q38-K41 PolarHBondContact O-N 2.94Å; K39-K41 VanDerWaalsContact C-N 3.3Å; K39-K41 PolarHBondContact O-N 2.77Å; K41-T45 VanDerWaalsContact O-CB 3.26Å; K41-T45 WeakPolarHBondContact O-CB 2.97Å; K41-T45 PolarHBondContact O-N 3.46Å; K41-T45 PolarHBondContact O-OG1 3.38Å; K41-E52 IonicContact NZ-OE1 2.66Å; K41-E52 PolarHBondContact NZ-OE1 2.92Å |
| 42 | K | 89 | Confident | 87.8 | Confident | 128 Ų | 128 | 101.8 Ų | 101.8 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 179 | -74 | 178.2 | 179.5 | -177.6 | 0 | 112.5 | Q38 K39 I40 T46 | Q38-K42 WeakPolarHBondContact O-CG 3.35Å; Q38-K42 PolarHBondContact O-N 2.92Å; Q38-K42 VanDerWaalsContact O-N 3.08Å; K39-K42 PolarHBondContact O-N 2.91Å; K39-K42 VanDerWaalsContact O-N 3.13Å; I40-K42 VanDerWaalsContact C-N 3.3Å; I40-K42 PolarHBondContact O-N 3.13Å; K42-T46 WeakPolarHBondContact O-CB 3.32Å; K42-T46 PolarHBondContact O-N 3.34Å; K42-T46 PolarHBondContact O-OG1 2.89Å |
| 43 | E | 90.4 | Very high | 86.5 | Confident | 102 Ų | 102 | 101.4 Ų | 101.4 | 48% | 0.477 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 178.7 | -71.8 | 172.4 | -175.1 | 0 | 0 | 111 | K39 I40 T46 A47 | K39-E43 WeakPolarHBondContact CE-OE1 3.48Å; K39-E43 WeakPolarHBondContact CG-OE1 3.46Å; K39-E43 WeakPolarHBondContact O-CG 3.4Å; K39-E43 PolarHBondContact O-N 3.21Å; I40-E43 PolarHBondContact O-N 2.93Å; E43-T46 PolarHBondContact O-N 3.18Å; E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 3.41Å |
| 44 | Y | 86.4 | Confident | 85.6 | Confident | 140 Ų | 140 | 106.8 Ų | 106.8 | 55% | 0.549 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.1 | -44.4 | 178.9 | -84.8 | -104.8 | 0 | 0 | 0 | 112.6 | I40 T46 A47 F48 | I40-Y44 HydrophobicContact CG2-CD2 3.67Å; I40-Y44 HydrophobicContact CG2-CE2 3.77Å; I40-Y44 VanDerWaalsContact O-CD2 3.29Å; I40-Y44 WeakPolarHBondContact O-CD2 3.35Å; I40-Y44 PolarHBondContact O-N 2.94Å; Y44-T46 PolarHBondContact O-N 3.01Å; Y44-A47 PolarHBondContact O-N 2.91Å; Y44-F48 AromaticContact CD1-CD2 3.83Å; Y44-F48 HydrophobicContact CD1-CD2 3.83Å; Y44-F48 AromaticContact CD1-CE2 3.51Å; Y44-F48 HydrophobicContact CD1-CE2 3.51Å; Y44-F48 AromaticContact CE1-CE2 3.87Å; Y44-F48 HydrophobicContact CE1-CE2 3.87Å; Y44-F48 HydrophobicContact CG-CD2 4.43Å; Y44-F48 HydrophobicContact CG-CE2 4.34Å; Y44-F48 WeakPolarHBondContact O-CB 3.16Å; Y44-F48 VanDerWaalsContact O-CD2 3.32Å; Y44-F48 WeakPolarHBondContact O-CD2 3.32Å; Y44-F48 PolarHBondContact O-N 3.33Å |
| 45 | T | 87.9 | Confident | 84.4 | Confident | 46 Ų | 46 | 110.9 Ų | 110.9 | 28% | 0.282 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -55.7 | -41.3 | 173.5 | -77.9 | 0 | 0 | 0 | 0 | 111.1 | K41 G49 L50 | K41-T45 VanDerWaalsContact O-CB 3.26Å; K41-T45 WeakPolarHBondContact O-CB 2.97Å; K41-T45 PolarHBondContact O-N 3.46Å; K41-T45 PolarHBondContact O-OG1 3.38Å; T45-G49 CarbonylContact O-C 3.49Å; T45-G49 VanDerWaalsContact O-CA 3.26Å; T45-G49 WeakPolarHBondContact O-CA 3.38Å; T45-G49 PolarHBondContact O-N 2.84Å; T45-L50 WeakPolarHBondContact CG2-O 3.43Å; T45-L50 PolarHBondContact O-N 2.79Å; T45-L50 PolarHBondContact OG1-O 3.06Å |
| 46 | T | 88.2 | Confident | 82.8 | Confident | 116 Ų | 116 | 111.4 Ų | 111.4 | 71% | 0.712 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.3 | -45.2 | 179.5 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | K42 E43 Y44 | K42-T46 WeakPolarHBondContact O-CB 3.32Å; K42-T46 PolarHBondContact O-N 3.34Å; K42-T46 PolarHBondContact O-OG1 2.89Å; E43-T46 PolarHBondContact O-N 3.18Å; Y44-T46 PolarHBondContact O-N 3.01Å |
| 47 | A | 89.4 | Confident | 81.6 | Confident | 78 Ų | 78 | 113.4 Ų | 113.4 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.8 | -35.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E43 Y44 | E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 3.41Å; Y44-A47 PolarHBondContact O-N 2.91Å |
| 48 | F | 87.7 | Confident | 80.8 | Confident | 147 Ų | 147 | 118 Ų | 118 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -104.8 | 1.1 | -175.5 | -64.6 | -75.9 | 0 | 0 | 0 | 113.7 | Y44 L50 | Y44-F48 AromaticContact CD1-CD2 3.83Å; Y44-F48 HydrophobicContact CD1-CD2 3.83Å; Y44-F48 AromaticContact CD1-CE2 3.51Å; Y44-F48 HydrophobicContact CD1-CE2 3.51Å; Y44-F48 AromaticContact CE1-CE2 3.87Å; Y44-F48 HydrophobicContact CE1-CE2 3.87Å; Y44-F48 HydrophobicContact CG-CD2 4.43Å; Y44-F48 HydrophobicContact CG-CE2 4.34Å; Y44-F48 WeakPolarHBondContact O-CB 3.16Å; Y44-F48 VanDerWaalsContact O-CD2 3.32Å; Y44-F48 WeakPolarHBondContact O-CD2 3.32Å; Y44-F48 PolarHBondContact O-N 3.33Å; F48-L50 PolarHBondContact O-N 3.06Å |
| 49 | G | 82.7 | Confident | 80.1 | Confident | 68 Ų | 68 | 120.4 Ų | 120.4 | 70% | 0.701 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.3 | 27.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | T45 E51 | T45-G49 CarbonylContact O-C 3.49Å; T45-G49 VanDerWaalsContact O-CA 3.26Å; T45-G49 WeakPolarHBondContact O-CA 3.38Å; T45-G49 PolarHBondContact O-N 2.84Å; G49-E51 PolarHBondContact O-N 2.71Å |
| 50 | L | 75.6 | Confident | 79.2 | Confident | 112 Ų | 112 | 119 Ų | 119 | 59% | 0.586 | 62% | 0.615 | S | S | * | * | trans | -77.5 | 108.1 | -172.4 | -148.6 | 90.1 | 0 | 0 | 0 | 109.7 | T45 F48 | T45-L50 WeakPolarHBondContact CG2-O 3.43Å; T45-L50 PolarHBondContact O-N 2.79Å; T45-L50 PolarHBondContact OG1-O 3.06Å; F48-L50 PolarHBondContact O-N 3.06Å | ||
| 51 | E | 75.1 | Confident | 78.4 | Confident | 139 Ų | 139 | 124.5 Ų | 124.5 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | trans | -60 | 146.6 | 175.6 | -161.6 | 172.9 | -179.9 | 0 | 0 | 110.3 | G49 L53 K54 | G49-E51 PolarHBondContact O-N 2.71Å; E51-L53 PolarHBondContact O-N 2.98Å; E51-K54 IonicContact OE1-NZ 2.74Å; E51-K54 PolarHBondContact OE1-NZ 2.78Å | ||
| 52 | E | 69.9 | Low | 77.7 | Confident | 119 Ų | 119 | 124.4 Ų | 124.4 | 56% | 0.556 | 64% | 0.636 | S | S | * | * | trans | -57.4 | 130.2 | 173.4 | -149.9 | 164.7 | -147.5 | 0 | 0 | 108.2 | K41 K54 | K41-E52 IonicContact NZ-OE1 2.66Å; K41-E52 PolarHBondContact NZ-OE1 2.92Å; E52-K54 WeakPolarHBondContact O-CG 3.47Å; E52-K54 PolarHBondContact O-N 2.74Å | ||
| 53 | L | 66.3 | Low | 77.2 | Confident | 131 Ų | 131 | 123.3 Ų | 123.3 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | trans | -63.7 | 83.5 | 179.7 | -167.4 | 105.1 | 0 | 0 | 0 | 109.1 | E51 E55 I57 | E51-L53 PolarHBondContact O-N 2.98Å; L53-E55 VanDerWaalsContact CD2-O 3.27Å; L53-E55 WeakPolarHBondContact CD2-O 3.34Å; L53-E55 WeakPolarHBondContact CG-O 3.18Å; L53-E55 PolarHBondContact O-N 2.89Å; L53-I57 HydrophobicContact CD1-CD1 4.31Å; L53-I57 HydrophobicContact CD2-CG1 4.47Å | ||
| 54 | K | 70.8 | Confident | 76.1 | Confident | 162 Ų | 162 | 122.4 Ų | 122.4 | 70% | 0.704 | 66% | 0.659 | S | S | * | * | trans | -71.9 | -23.4 | 179 | -75.1 | 174.2 | -177.6 | 163.8 | 0 | 111.3 | E51 E52 | E51-K54 IonicContact OE1-NZ 2.74Å; E51-K54 PolarHBondContact OE1-NZ 2.78Å; E52-K54 WeakPolarHBondContact O-CG 3.47Å; E52-K54 PolarHBondContact O-N 2.74Å | ||
| 55 | E | 68 | Low | 75 | Confident | 156 Ų | 156 | 121.7 Ų | 121.7 | 73% | 0.729 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -92.6 | 105 | 179.4 | -162 | 161.8 | -150.1 | 0 | 0 | 108.8 | L53 I57 | L53-E55 VanDerWaalsContact CD2-O 3.27Å; L53-E55 WeakPolarHBondContact CD2-O 3.34Å; L53-E55 WeakPolarHBondContact CG-O 3.18Å; L53-E55 PolarHBondContact O-N 2.89Å; E55-I57 VanDerWaalsContact C-N 3.27Å; E55-I57 PolarHBondContact O-N 2.96Å |
| 56 | C | 60.4 | Low | 73.9 | Confident | 120 Ų | 120 | 128.1 Ų | 128.1 | 81% | 0.811 | 69% | 0.691 | S | S | * | * | trans | -54.5 | 101.6 | 158.1 | -71 | 0 | 0 | 0 | 0 | 106.5 | K58 | C56-K58 PolarHBondContact O-N 3.41Š| ||
| 57 | I | 69.1 | Low | 72.6 | Confident | 131 Ų | 131 | 127.3 Ų | 127.3 | 67% | 0.672 | 69% | 0.691 | S | S | * | * | trans | -54.3 | 108.7 | 176.1 | -61.6 | 173.1 | 0 | 0 | 0 | 105.8 | L53 E55 M59 | L53-I57 HydrophobicContact CD1-CD1 4.31Å; L53-I57 HydrophobicContact CD2-CG1 4.47Å; E55-I57 VanDerWaalsContact C-N 3.27Å; E55-I57 PolarHBondContact O-N 2.96Å; I57-M59 PolarHBondContact O-N 3.5Å; I57-M59 VanDerWaalsContact O-N 3.11Å | ||
| 58 | K | 76.1 | Confident | 71.2 | Confident | 190 Ų | 190 | 129.3 Ų | 129.3 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 123.2 | 175.3 | -176.3 | 179.4 | 178 | -177.6 | 0 | 105.7 | C56 P60 | C56-K58 PolarHBondContact O-N 3.41Å; K58-P60 VanDerWaalsContact O-N 3.11Å |
| 59 | M | 76.4 | Confident | 69.6 | Low | 146 Ų | 146 | 130 Ų | 130 | 72% | 0.719 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 124.6 | 176.2 | -174.5 | 65.1 | 71.2 | 0 | 0 | 107.9 | I57 | I57-M59 PolarHBondContact O-N 3.5Å; I57-M59 VanDerWaalsContact O-N 3.11Å |
| 60 | P | 75.1 | Confident | 68.4 | Low | 85 Ų | 85 | 136.2 Ų | 136.2 | 55% | 0.552 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 147 | 176.6 | 23 | -33.4 | 0 | 0 | 0 | 109.1 | K58 L62 | K58-P60 VanDerWaalsContact O-N 3.11Å; P60-L62 PolarHBondContact O-N 3.3Å |
| 61 | Y | 73.1 | Confident | 67.1 | Low | 201 Ų | 201 | 135 Ų | 135 | 79% | 0.788 | 71% | 0.712 | S | S | * | * | trans | -62.3 | 115.1 | 177.4 | 178.1 | -104.9 | 0 | 0 | 0 | 109 | P63 | Y61-P63 HydrophobicContact CD1-CB 4.48Å; Y61-P63 HydrophobicContact CE1-CB 3.83Å; Y61-P63 HydrophobicContact CE1-CG 4.37Å; Y61-P63 VanDerWaalsContact O-CD 3.23Å; Y61-P63 WeakPolarHBondContact O-CD 3.38Å | ||
| 62 | L | 74.7 | Confident | 65.8 | Low | 96 Ų | 96 | 135 Ų | 135 | 50% | 0.503 | 72% | 0.722 | S | S | . | * | trans | -98.9 | 98.7 | 174.9 | -63.7 | -180 | 0 | 0 | 0 | 108.3 | P60 G64 L65 | P60-L62 PolarHBondContact O-N 3.3Å; L62-G64 PolarHBondContact O-N 3.03Å; L62-L65 HydrophobicContact CB-CB 4.46Å; L62-L65 PolarHBondContact O-N 3.5Å | ||
| 63 | P | 77.3 | Confident | 65.1 | Low | 104 Ų | 104 | 133.3 Ų | 133.3 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 123.4 | 175 | 22.9 | -30.2 | 0 | 0 | 0 | 109.4 | Y61 | Y61-P63 HydrophobicContact CD1-CB 4.48Å; Y61-P63 HydrophobicContact CE1-CB 3.83Å; Y61-P63 HydrophobicContact CE1-CG 4.37Å; Y61-P63 VanDerWaalsContact O-CD 3.23Å; Y61-P63 WeakPolarHBondContact O-CD 3.38Å |
| 64 | G | 67.3 | Low | 64.5 | Low | 83 Ų | 83 | 132.4 Ų | 132.4 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.4 | -12.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | L62 Q66 | L62-G64 PolarHBondContact O-N 3.03Å; G64-Q66 PolarHBondContact O-N 3.35Å |
| 65 | L | 63.3 | Low | 63.6 | Low | 126 Ų | 126 | 130 Ų | 130 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | trans | -85 | 106.6 | 164.1 | -133.1 | 81.2 | 0 | 0 | 0 | 107.3 | L62 S67 | L62-L65 HydrophobicContact CB-CB 4.46Å; L62-L65 PolarHBondContact O-N 3.5Å; L65-S67 PolarHBondContact O-N 3.45Å | ||
| 66 | Q | 65.1 | Low | 62.7 | Low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -52.2 | 119.3 | 159.9 | -84.5 | -176.4 | -1.3 | 0 | 0 | 105.6 | G64 C68 | G64-Q66 PolarHBondContact O-N 3.35Å; Q66-C68 PolarHBondContact O-N 2.79Å | ||
| 67 | S | 62 | Low | 62.2 | Low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | trans | -54.2 | 121.1 | 174 | 60.5 | 0 | 0 | 0 | 0 | 105.4 | L65 Q69 | L65-S67 PolarHBondContact O-N 3.45Å; S67-Q69 PolarHBondContact O-N 2.95Å | ||
| 68 | C | 58.2 | Low | 61.3 | Low | 120 Ų | 120 | 132 Ų | 132 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | trans | -61.7 | 93.3 | 169.7 | -60.4 | 0 | 0 | 0 | 0 | 104.6 | Q66 K70 | Q66-C68 PolarHBondContact O-N 2.79Å; C68-K70 PolarHBondContact O-N 2.96Å | ||
| 69 | Q | 55.1 | Low | 60.2 | Low | 162 Ų | 162 | 128.5 Ų | 128.5 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | -51.5 | 120.2 | 163.8 | -85.2 | -177 | -31.4 | 0 | 0 | 103.7 | S67 S71 | S67-Q69 PolarHBondContact O-N 2.95Å; Q69-S71 PolarHBondContact O-N 3.01Å; Q69-S71 PolarHBondContact O-OG 3.25Å | ||
| 70 | K | 56.6 | Low | 59.1 | Low | 198 Ų | 198 | 126.7 Ų | 126.7 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | trans | -62.5 | 87 | 160.5 | -81.6 | 168.5 | 175.3 | 174.8 | 0 | 104.5 | C68 V72 | C68-K70 PolarHBondContact O-N 2.96Å; K70-V72 PolarHBondContact O-N 3.36Å | ||
| 71 | S | 48.8 | Very low | 58.4 | Low | 86 Ų | 86 | 131.7 Ų | 131.7 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | trans | -59 | 106.6 | 171.9 | -6.6 | 0 | 0 | 0 | 0 | 104.9 | Q69 S73 | Q69-S71 PolarHBondContact O-N 3.01Å; Q69-S71 PolarHBondContact O-OG 3.25Å; S71-S73 VanDerWaalsContact CB-OG 3.29Å; S71-S73 WeakPolarHBondContact CB-OG 3.35Å; S71-S73 PolarHBondContact O-N 3.03Å | ||
| 72 | V | 48.8 | Very low | 57.6 | Low | 140 Ų | 140 | 133.7 Ų | 133.7 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -72 | 3.8 | 165.9 | -170.9 | 0 | 0 | 0 | 0 | 109.8 | K70 S74 | K70-V72 PolarHBondContact O-N 3.36Å; V72-S74 PolarHBondContact O-N 2.78Å | ||
| 73 | S | 54.8 | Low | 57 | Low | 82 Ų | 82 | 136.3 Ų | 136.3 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | trans | -72.9 | 83 | 160.6 | 63.4 | 0 | 0 | 0 | 0 | 109 | S71 T75 | S71-S73 VanDerWaalsContact CB-OG 3.29Å; S71-S73 WeakPolarHBondContact CB-OG 3.35Å; S71-S73 PolarHBondContact O-N 3.03Å; S73-T75 PolarHBondContact O-N 3.06Å | ||
| 74 | S | 52.4 | Low | 56 | Low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -65.8 | 75.2 | 154.1 | 57.6 | 0 | 0 | 0 | 0 | 108.3 | V72 | V72-S74 PolarHBondContact O-N 2.78Š| ||
| 75 | T | 52.2 | Low | 55.3 | Low | 112 Ų | 112 | 143.6 Ų | 143.6 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | -61.3 | 127.4 | 146.3 | -8.8 | 0 | 0 | 0 | 0 | 104.5 | S73 L77 | S73-T75 PolarHBondContact O-N 3.06Å; T75-L77 PolarHBondContact O-N 2.87Å | ||
| 76 | P | 48.7 | Very low | 54.9 | Low | 115 Ų | 115 | 141.7 Ų | 141.7 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -53.3 | 117.5 | 168.1 | -16.1 | 28 | 0 | 0 | 0 | 105.3 | E78 | P76-E78 PolarHBondContact O-N 3.28Š| ||
| 77 | L | 50.5 | Low | 54.4 | Low | 159 Ų | 159 | 141 Ų | 141 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -57 | 101.4 | 166 | -112.6 | 140.2 | 0 | 0 | 0 | 103.9 | T75 V79 | T75-L77 PolarHBondContact O-N 2.87Å; L77-V79 VanDerWaalsContact C-N 3.25Å; L77-V79 PolarHBondContact O-N 3.08Å | ||
| 78 | E | 49.9 | Very low | 53.9 | Low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -57.8 | 102.7 | 173.2 | -168.1 | 170.3 | -175.6 | 0 | 0 | 104 | P76 P80 | P76-E78 PolarHBondContact O-N 3.28Å; E78-P80 WeakPolarHBondContact O-CD 3.42Å | ||
| 79 | V | 53.3 | Low | 53.9 | Low | 116 Ų | 116 | 142.2 Ų | 142.2 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | trans | -50.1 | 115.2 | 177.7 | 174.2 | 0 | 0 | 0 | 0 | 104.2 | L77 K81 | L77-V79 VanDerWaalsContact C-N 3.25Å; L77-V79 PolarHBondContact O-N 3.08Å; V79-K81 PolarHBondContact O-N 2.66Å | ||
| 80 | P | 53.7 | Low | 53.8 | Low | 108 Ų | 108 | 140.4 Ų | 140.4 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -54 | 115.7 | 176.8 | -23.6 | 32.9 | 0 | 0 | 0 | 105.4 | E78 R82 | E78-P80 WeakPolarHBondContact O-CD 3.42Å; P80-R82 PolarHBondContact O-N 3.36Å | ||
| 81 | K | 60.6 | Low | 53.6 | Low | 189 Ų | 189 | 136 Ų | 136 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | -45.7 | 118.7 | 176.5 | -87.1 | 175.9 | 177.8 | 170.7 | 0 | 105.1 | V79 L83 | V79-K81 PolarHBondContact O-N 2.66Å; K81-L83 VanDerWaalsContact C-N 3.27Å; K81-L83 PolarHBondContact O-N 3.4Å | ||
| 82 | R | 56.5 | Low | 53.8 | Low | 243 Ų | 243 | 135.8 Ų | 135.8 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | trans | -54 | 102.3 | 176.8 | -71.4 | -169.6 | -155.9 | -179.1 | 6.6 | 105.8 | P80 | P80-R82 PolarHBondContact O-N 3.36Š| ||
| 83 | L | 62.4 | Low | 53.9 | Low | 151 Ų | 151 | 134.6 Ų | 134.6 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -59 | 137.1 | 168.3 | -75.2 | 165.4 | 0 | 0 | 0 | 105.3 | K81 R85 | K81-L83 VanDerWaalsContact C-N 3.27Å; K81-L83 PolarHBondContact O-N 3.4Å; L83-R85 PolarHBondContact O-N 3.19Å | ||
| 84 | P | 55.8 | Low | 54.3 | Low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -50.5 | 126 | 172.8 | 20.2 | -29.1 | 0 | 0 | 0 | 107 | A86 | P84-A86 PolarHBondContact O-N 3.31Š| ||
| 85 | R | 52.4 | Low | 54.3 | Low | 222 Ų | 222 | 143.9 Ų | 143.9 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -46.3 | 107.6 | -178 | -159.6 | -173.4 | -155.3 | -146.8 | 5.9 | 106.7 | L83 D87 | L83-R85 PolarHBondContact O-N 3.19Å; R85-D87 PolarHBondContact O-N 3.45Å | ||
| 86 | A | 54.6 | Low | 54.2 | Low | 87 Ų | 87 | 149.3 Ų | 149.3 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | -56.3 | 131.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | P84 A88 | P84-A86 PolarHBondContact O-N 3.31Å; A86-A88 VanDerWaalsContact C-N 3.33Å; A86-A88 PolarHBondContact O-N 2.92Å | ||
| 87 | D | 55.2 | Low | 54.3 | Low | 167 Ų | 167 | 151.9 Ų | 151.9 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -47.2 | 102.8 | -179.3 | -95.5 | -39.5 | 0 | 0 | 0 | 108.3 | R85 E89 | R85-D87 PolarHBondContact O-N 3.45Å; D87-E89 VanDerWaalsContact C-N 3.33Å; D87-E89 PolarHBondContact O-N 3.33Å | ||
| 88 | A | 52.2 | Low | 54.3 | Low | 59 Ų | 59 | 156.9 Ų | 156.9 | 49% | 0.488 | 80% | 0.797 | S | S | . | * | trans | -69.9 | 103.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 103.5 | A86 V90 | A86-A88 VanDerWaalsContact C-N 3.33Å; A86-A88 PolarHBondContact O-N 2.92Å; A88-V90 PolarHBondContact O-N 2.69Å | ||
| 89 | E | 57.8 | Low | 54.5 | Low | 184 Ų | 184 | 155.9 Ų | 155.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -52 | 103.1 | 161.3 | -92.9 | -158.5 | 151.3 | 0 | 0 | 106.4 | D87 S91 | D87-E89 VanDerWaalsContact C-N 3.33Å; D87-E89 PolarHBondContact O-N 3.33Å; E89-S91 VanDerWaalsContact C-N 3.28Å; E89-S91 PolarHBondContact O-N 3.23Å | ||
| 90 | V | 52.6 | Low | 54.6 | Low | 125 Ų | 125 | 158 Ų | 158 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -66.7 | 98 | 171.8 | -178.4 | 0 | 0 | 0 | 0 | 104.2 | A88 A92 | A88-V90 PolarHBondContact O-N 2.69Å; V90-A92 VanDerWaalsContact C-N 3.25Å; V90-A92 PolarHBondContact O-N 3.06Å | ||
| 91 | S | 52.3 | Low | 54.6 | Low | 105 Ų | 105 | 160.8 Ų | 160.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -60.4 | 97.7 | 167.8 | -86.7 | 0 | 0 | 0 | 0 | 107 | E89 V93 | E89-S91 VanDerWaalsContact C-N 3.28Å; E89-S91 PolarHBondContact O-N 3.23Å; S91-V93 PolarHBondContact O-N 2.99Å | ||
| 92 | A | 51.9 | Low | 54.3 | Low | 82 Ų | 82 | 159.1 Ų | 159.1 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -61.2 | 104.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | V90 R94 | V90-A92 VanDerWaalsContact C-N 3.25Å; V90-A92 PolarHBondContact O-N 3.06Å; A92-R94 PolarHBondContact O-N 3.24Å | ||
| 93 | V | 53 | Low | 54.1 | Low | 115 Ų | 115 | 153.9 Ų | 153.9 | 70% | 0.697 | 80% | 0.798 | S | S | * | * | trans | -64.7 | 105 | 172 | 178.9 | 0 | 0 | 0 | 0 | 107 | S91 F95 | S91-V93 PolarHBondContact O-N 2.99Å; V93-F95 HydrophobicContact CG1-CE2 4.31Å; V93-F95 PolarHBondContact O-N 2.98Å | ||
| 94 | R | 61.9 | Low | 53.6 | Low | 202 Ų | 202 | 154.1 Ų | 154.1 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -74.4 | 106.6 | 173.9 | -70.2 | -171.5 | -80.7 | -127.7 | -0 | 108.5 | A92 W96 | A92-R94 PolarHBondContact O-N 3.24Å; R94-W96 PolarHBondContact O-N 2.93Å | ||
| 95 | F | 51.9 | Low | 53.4 | Low | 187 Ų | 187 | 156.6 Ų | 156.6 | 82% | 0.82 | 80% | 0.801 | S | S | * | * | trans | -73.7 | 109.9 | 164.1 | -78.4 | -82.9 | 0 | 0 | 0 | 108.4 | V93 L97 | V93-F95 HydrophobicContact CG1-CE2 4.31Å; V93-F95 PolarHBondContact O-N 2.98Å; F95-L97 PolarHBondContact O-N 3.2Å | ||
| 96 | W | 51.5 | Low | 53.5 | Low | 226 Ų | 226 | 151.6 Ų | 151.6 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -80.1 | 103.7 | 165.6 | -71 | 98.4 | 0 | 0 | 0 | 107.8 | R94 | R94-W96 PolarHBondContact O-N 2.93Š| ||
| 97 | L | 49.8 | Very low | 53.4 | Low | 168 Ų | 168 | 157 Ų | 157 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -80 | 122.8 | 161.2 | -87.8 | 151.6 | 0 | 0 | 0 | 107.2 | F95 | F95-L97 PolarHBondContact O-N 3.2Š| ||
| 98 | Q | 50.7 | Low | 53.2 | Low | 264 Ų | 264 | 156.1 Ų | 156.1 | 100% | 1.234 | 80% | 0.797 | S | S | * | * | trans | -105 | 0 | 172.6 | -167.7 | 172.2 | -7.6 | 0 | 0 | 109.2 |
Retrieved 98 of 98 residues in 71.4 ms
(Link to these results)