| 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 | 30.6 | Very low | 37.1 | Very low | 232 Ų | 232 | 145.5 Ų | 145.5 | 100% | 1.143 | 83% | 0.829 | S | S | * | * | 0 | 137.7 | 0 | -59.3 | -154.8 | 84.7 | 0 | 0 | 108.2 | |||||
| 2 | C | 27.9 | Very low | 37 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | 58.7 | 114.7 | 171.7 | -63.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3 | K | 31.8 | Very low | 37 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 81% | 0.809 | 83% | 0.831 | S | S | * | * | 59.4 | 130.2 | 96.4 | -76.4 | -132.2 | 175.6 | -172.8 | 0 | 112.1 | |||||
| 4 | D | 30.6 | Very low | 37.1 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 72% | 0.717 | 83% | 0.827 | S | S | * | * | -167 | 169.9 | 54.7 | -124.8 | -44.3 | 0 | 0 | 0 | 113.6 | |||||
| 5 | S | 47.6 | Very low | 37.7 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -68.7 | 142.6 | 175.4 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 6 | Q | 37.7 | Very low | 38.4 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -141.2 | 122.4 | 158.8 | -76.5 | -172.8 | -61.6 | 0 | 0 | 111.8 | ||||
| 7 | K | 39.1 | Very low | 38.5 | Very low | 199 Ų | 199 | 144.2 Ų | 144.2 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | trans | -126 | 130.4 | 151.8 | 175.8 | 168.7 | -173.5 | -173 | 0 | 104.9 | ||||
| 8 | P | 45.6 | Very low | 38.7 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | -149.6 | 158.4 | 101.6 | 31.7 | -10.2 | 0 | 0 | 0 | 112.6 | |||||
| 9 | S | 33.6 | Very low | 39.3 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | 166.1 | 145 | 87.3 | 43.5 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 10 | G | 32.5 | Very low | 39.1 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | -79.6 | -147.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 11 | P | 50.6 | Low | 39.6 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | cis | -118.5 | 160.9 | -37.1 | 36.8 | -23 | 0 | 0 | 0 | 110.9 | ||||
| 12 | S | 36.9 | Very low | 40.4 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -155.8 | 145.9 | 162.6 | -166.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 13 | H | 36.7 | Very low | 41.1 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -72.2 | 136.3 | -162.2 | -70.9 | -105 | 0 | 0 | 0 | 116.6 | ||||
| 14 | G | 38.4 | Very low | 42.2 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 50.2 | 170.1 | 141.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 15 | P | 45.3 | Very low | 43.5 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | cis | -126.4 | 171.5 | 6.3 | 36 | -16.5 | 0 | 0 | 0 | 115.8 | ||||
| 16 | K | 48.8 | Very low | 44.2 | Very low | 208 Ų | 208 | 134.3 Ų | 134.3 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -62.1 | 145.5 | 179.2 | -72.5 | 170.5 | 174.4 | 172.5 | 0 | 114 | ||||
| 17 | T | 40.7 | Very low | 45.3 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -135.6 | 159.3 | 165 | 39.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 18 | P | 41.6 | Very low | 46.2 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | trans | -91.8 | 156.1 | -131 | 34.4 | -35.6 | 0 | 0 | 0 | 115.2 | C20 | P18-C20 PolarHBondContact O-N 3.44Å; P18-C20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | S | 50.9 | Low | 47.2 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -54.2 | 107 | 163.7 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | K21 | S19-K21 PolarHBondContact O-N 2.9Š| ||
| 20 | C | 34.9 | Very low | 48.4 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -72.6 | 96.2 | 169.3 | -73.8 | 0 | 0 | 0 | 0 | 109.3 | P18 | P18-C20 PolarHBondContact O-N 3.44Å; P18-C20 VanDerWaalsContact O-N 3.09Å | ||
| 21 | K | 49.3 | Very low | 49.5 | Very low | 195 Ų | 195 | 124.8 Ų | 124.8 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -69.3 | 131.5 | 161.9 | -66.3 | -171.8 | -177.5 | -176.8 | 0 | 109.5 | S19 | S19-K21 PolarHBondContact O-N 2.9Š| ||
| 22 | G | 48.1 | Very low | 50 | Low | 76 Ų | 76 | 123.5 Ų | 123.5 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | 75 | 81.5 | 151 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 23 | V | 42.4 | Very low | 51.1 | Low | 151 Ų | 151 | 119.9 Ų | 119.9 | 92% | 0.915 | 72% | 0.717 | S | S | * | * | trans | -79.7 | 121.1 | 156.9 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 24 | K | 55 | Low | 51.6 | Low | 179 Ų | 179 | 120.1 Ų | 120.1 | 78% | 0.778 | 71% | 0.711 | S | S | * | * | trans | -45.7 | 147.7 | 178.1 | -77.2 | 179.6 | 170.9 | -173 | 0 | 112.3 | ||||
| 25 | A | 57.3 | Low | 52.6 | Low | 83 Ų | 83 | 122.9 Ų | 122.9 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | trans | -45.2 | 143.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H27 | A25-H27 PolarHBondContact O-N 2.92Š| ||
| 26 | P | 62.2 | Low | 53.3 | Low | 126 Ų | 126 | 121.7 Ų | 121.7 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 126.9 | -179.3 | -21 | 30.3 | 0 | 0 | 0 | 110.1 | ||
| 27 | H | 61.5 | Low | 53.7 | Low | 162 Ų | 162 | 116.8 Ų | 116.8 | 75% | 0.75 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 135 | 166.1 | -73.5 | -88 | 0 | 0 | 0 | 108.3 | A25 S29 | A25-H27 PolarHBondContact O-N 2.92Å; H27-S29 PolarHBondContact O-N 3.04Å |
| 28 | P | 57.3 | Low | 54.4 | Low | 81 Ų | 81 | 118 Ų | 118 | 53% | 0.526 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 134.2 | 177.2 | 21.7 | -29.7 | 0 | 0 | 0 | 108.2 | Q32 | P28-Q32 HydrophobicContact CB-CB 4.39Š|
| 29 | S | 66.9 | Low | 55.3 | Low | 58 Ų | 58 | 117.2 Ų | 117.2 | 41% | 0.406 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 147.4 | -179.4 | 59.8 | 0 | 0 | 0 | 0 | 109.4 | H27 S31 Q32 A33 | H27-S29 PolarHBondContact O-N 3.04Å; S29-S31 WeakPolarHBondContact CB-OG 3.14Å; S29-S31 PolarHBondContact O-N 3.37Å; S29-S31 VanDerWaalsContact O-N 3.09Å; S29-S31 PolarHBondContact OG-OG 3.11Å; S29-Q32 WeakPolarHBondContact O-CA 3.5Å; S29-Q32 WeakPolarHBondContact O-CB 3.28Å; S29-Q32 PolarHBondContact O-N 3.15Å; S29-Q32 PolarHBondContact OG-N 3.49Å; S29-A33 PolarHBondContact O-N 2.72Å |
| 30 | V | 60.1 | Low | 55.7 | Low | 108 Ų | 108 | 118.9 Ų | 118.9 | 66% | 0.655 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -50.4 | -39.8 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 110 | Q32 A33 W34 | V30-Q32 VanDerWaalsContact C-N 3.26Å; V30-Q32 PolarHBondContact O-N 3.01Å; V30-A33 PolarHBondContact O-N 3.44Å; V30-W34 VanDerWaalsContact CG1-CD1 3.49Å; V30-W34 PolarHBondContact O-N 3.24Å; V30-W34 VanDerWaalsContact O-N 3.08Å |
| 31 | S | 55.3 | Low | 56.9 | Low | 79 Ų | 79 | 116.4 Ų | 116.4 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.6 | -33.6 | 173.9 | 54.5 | 0 | 0 | 0 | 0 | 115 | S29 K35 | S29-S31 WeakPolarHBondContact CB-OG 3.14Å; S29-S31 PolarHBondContact O-N 3.37Å; S29-S31 VanDerWaalsContact O-N 3.09Å; S29-S31 PolarHBondContact OG-OG 3.11Å; S31-K35 WeakPolarHBondContact O-CG 3.44Å; S31-K35 PolarHBondContact O-N 3.46Å |
| 32 | Q | 60 | Low | 57.3 | Low | 104 Ų | 104 | 112.6 Ų | 112.6 | 49% | 0.486 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -77.7 | -40.7 | 179.8 | -165.6 | 169.4 | 6.2 | 0 | 0 | 111.4 | P28 S29 V30 W34 K35 Q36 | P28-Q32 HydrophobicContact CB-CB 4.39Å; S29-Q32 WeakPolarHBondContact O-CA 3.5Å; S29-Q32 WeakPolarHBondContact O-CB 3.28Å; S29-Q32 PolarHBondContact O-N 3.15Å; S29-Q32 PolarHBondContact OG-N 3.49Å; V30-Q32 VanDerWaalsContact C-N 3.26Å; V30-Q32 PolarHBondContact O-N 3.01Å; Q32-W34 PolarHBondContact O-N 3.5Å; Q32-K35 PolarHBondContact O-N 2.9Å; Q32-Q36 PolarHBondContact O-N 3.18Å |
| 33 | A | 61.3 | Low | 57.8 | Low | 44 Ų | 44 | 110.9 Ų | 110.9 | 36% | 0.364 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.7 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S29 V30 K35 Q36 D37 | S29-A33 PolarHBondContact O-N 2.72Å; V30-A33 PolarHBondContact O-N 3.44Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 2.95Å; A33-Q36 PolarHBondContact O-N 3.19Å; A33-D37 PolarHBondContact O-N 3.09Å |
| 34 | W | 46.2 | Very low | 58.7 | Low | 189 Ų | 189 | 107.3 Ų | 107.3 | 72% | 0.716 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.4 | -30.1 | 179.7 | -75.7 | 59.6 | 0 | 0 | 0 | 113.4 | V30 Q32 R38 | V30-W34 VanDerWaalsContact CG1-CD1 3.49Å; V30-W34 PolarHBondContact O-N 3.24Å; V30-W34 VanDerWaalsContact O-N 3.08Å; Q32-W34 PolarHBondContact O-N 3.5Å; W34-R38 WeakPolarHBondContact O-CB 3.24Å; W34-R38 PolarHBondContact O-N 2.93Å |
| 35 | K | 59.2 | Low | 58.9 | Low | 133 Ų | 133 | 102.9 Ų | 102.9 | 58% | 0.578 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.7 | -42.1 | 173.7 | -76.3 | -166.6 | -174.3 | -66.7 | 0 | 111.6 | S31 Q32 A33 R38 E39 | S31-K35 WeakPolarHBondContact O-CG 3.44Å; S31-K35 PolarHBondContact O-N 3.46Å; Q32-K35 PolarHBondContact O-N 2.9Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 2.95Å; K35-R38 PolarHBondContact O-N 3.4Å; K35-E39 WeakPolarHBondContact O-CG 3.13Å; K35-E39 PolarHBondContact O-N 3.1Å |
| 36 | Q | 59.7 | Low | 58.9 | Low | 102 Ų | 102 | 107.3 Ų | 107.3 | 48% | 0.477 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64 | -45.4 | 178.6 | -73.6 | 176.3 | -31.1 | 0 | 0 | 112.2 | Q32 A33 R38 E39 Q40 | Q32-Q36 PolarHBondContact O-N 3.18Å; A33-Q36 PolarHBondContact O-N 3.19Å; Q36-R38 VanDerWaalsContact C-N 3.31Å; Q36-R38 PolarHBondContact O-N 3.05Å; Q36-E39 PolarHBondContact O-N 3.08Å; Q36-Q40 WeakPolarHBondContact O-CG 3.1Å; Q36-Q40 PolarHBondContact O-N 3Å |
| 37 | D | 57.9 | Low | 58.8 | Low | 105 Ų | 105 | 105.9 Ų | 105.9 | 56% | 0.561 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.4 | -42.2 | 177.1 | -176.3 | 74.4 | 0 | 0 | 0 | 112 | A33 Q40 S41 | A33-D37 PolarHBondContact O-N 3.09Å; D37-Q40 PolarHBondContact O-N 3.36Å; D37-S41 PolarHBondContact O-N 3.29Å |
| 38 | R | 55.9 | Low | 58.6 | Low | 163 Ų | 163 | 100.2 Ų | 100.2 | 62% | 0.615 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.4 | -41.1 | 177.2 | -166.3 | 174.8 | 85.8 | 167.5 | 9.5 | 113.2 | W34 K35 Q36 Q40 S41 L42 | W34-R38 WeakPolarHBondContact O-CB 3.24Å; W34-R38 PolarHBondContact O-N 2.93Å; K35-R38 PolarHBondContact O-N 3.4Å; Q36-R38 VanDerWaalsContact C-N 3.31Å; Q36-R38 PolarHBondContact O-N 3.05Å; R38-Q40 VanDerWaalsContact C-N 3.33Å; R38-S41 PolarHBondContact O-N 3.22Å; R38-L42 PolarHBondContact O-N 3.35Å |
| 39 | E | 59.9 | Low | 58.8 | Low | 92 Ų | 92 | 102.2 Ų | 102.2 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -39.8 | 177.1 | -76 | -177 | 135.4 | 0 | 0 | 111.1 | K35 Q36 A43 S68 | K35-E39 WeakPolarHBondContact O-CG 3.13Å; K35-E39 PolarHBondContact O-N 3.1Å; Q36-E39 PolarHBondContact O-N 3.08Å; E39-A43 PolarHBondContact O-N 3.28Å; E39-S68 PolarHBondContact OE1-OG 2.8Å |
| 40 | Q | 58.6 | Low | 58.5 | Low | 142 Ų | 142 | 102.9 Ų | 102.9 | 66% | 0.664 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.6 | -43.9 | 174.5 | -72.1 | 179.4 | 18.5 | 0 | 0 | 112.3 | Q36 D37 R38 L42 A43 A44 | Q36-Q40 WeakPolarHBondContact O-CG 3.1Å; Q36-Q40 PolarHBondContact O-N 3Å; D37-Q40 PolarHBondContact O-N 3.36Å; R38-Q40 VanDerWaalsContact C-N 3.33Å; Q40-L42 PolarHBondContact O-N 2.91Å; Q40-A43 PolarHBondContact O-N 3.48Å; Q40-A44 WeakPolarHBondContact O-CB 3.45Å; Q40-A44 PolarHBondContact O-N 3.1Å; Q40-A44 VanDerWaalsContact O-N 3.14Å |
| 41 | S | 61.4 | Low | 58.3 | Low | 73 Ų | 73 | 103.8 Ų | 103.8 | 51% | 0.51 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59 | -42.3 | 179 | -101.9 | 0 | 0 | 0 | 0 | 113.3 | D37 R38 A45 | D37-S41 PolarHBondContact O-N 3.29Å; R38-S41 PolarHBondContact O-N 3.22Å; S41-A45 VanDerWaalsContact O-CB 3.31Å; S41-A45 WeakPolarHBondContact O-CB 3.23Å; S41-A45 PolarHBondContact O-N 3.14Å; S41-A45 VanDerWaalsContact O-N 3.1Å |
| 42 | L | 56.3 | Low | 58.5 | Low | 115 Ų | 115 | 102.7 Ų | 102.7 | 60% | 0.602 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.2 | -39.6 | -177.5 | -69.6 | 174.8 | 0 | 0 | 0 | 112.9 | R38 Q40 A44 A45 Y46 | R38-L42 PolarHBondContact O-N 3.35Å; Q40-L42 PolarHBondContact O-N 2.91Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 3.19Å; L42-A45 PolarHBondContact O-N 3.38Å; L42-Y46 PolarHBondContact O-N 3.47Å |
| 43 | A | 59.4 | Low | 58.6 | Low | 40 Ų | 40 | 103.4 Ų | 103.4 | 33% | 0.331 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.8 | -35.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | E39 Q40 | E39-A43 PolarHBondContact O-N 3.28Å; Q40-A43 PolarHBondContact O-N 3.48Å |
| 44 | A | 61 | Low | 58.8 | Low | 75 Ų | 75 | 110.4 Ų | 110.4 | 62% | 0.62 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74.1 | -36.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q40 L42 | Q40-A44 WeakPolarHBondContact O-CB 3.45Å; Q40-A44 PolarHBondContact O-N 3.1Å; Q40-A44 VanDerWaalsContact O-N 3.14Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 3.19Å |
| 45 | A | 59.1 | Low | 59.3 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 71% | 0.711 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.3 | -26 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S41 L42 | S41-A45 VanDerWaalsContact O-CB 3.31Å; S41-A45 WeakPolarHBondContact O-CB 3.23Å; S41-A45 PolarHBondContact O-N 3.14Å; S41-A45 VanDerWaalsContact O-N 3.1Å; L42-A45 PolarHBondContact O-N 3.38Å |
| 46 | Y | 57.3 | Low | 59.2 | Low | 177 Ų | 177 | 105.7 Ų | 105.7 | 69% | 0.694 | 59% | 0.591 | S | S | * | * | trans | -119.1 | 68.9 | -177.5 | -162.2 | -99.7 | 0 | 0 | 0 | 110.6 | L42 P48 F65 | L42-Y46 PolarHBondContact O-N 3.47Å; Y46-P48 WeakPolarHBondContact O-CD 3.41Å; Y46-F65 WeakPolarHBondContact O-CE1 3.41Å | ||
| 47 | V | 61.2 | Low | 59.2 | Low | 96 Ų | 96 | 106.2 Ų | 106.2 | 58% | 0.582 | 60% | 0.597 | S | S | * | * | trans | -87.3 | 104.8 | 169.9 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | V49 | V47-V49 PolarHBondContact O-N 3.4Å; V47-V49 VanDerWaalsContact O-N 3.1Å | ||
| 48 | P | 57.5 | Low | 59.1 | Low | 42 Ų | 42 | 103.7 Ų | 103.7 | 27% | 0.273 | 59% | 0.587 | S | S | . | * | trans | -64.7 | 114.1 | 175.8 | 25.3 | -33.5 | 0 | 0 | 0 | 109.8 | Y46 V50 F63 | Y46-P48 WeakPolarHBondContact O-CD 3.41Å; P48-V50 PolarHBondContact O-N 3.2Å; P48-F63 HydrophobicContact CB-CD1 4.38Å; P48-F63 HydrophobicContact CB-CE1 4.15Å; P48-F63 HydrophobicContact CG-CD1 3.38Å; P48-F63 HydrophobicContact CG-CE1 3.57Å; P48-F63 HydrophobicContact CG-CG 3.96Å; P48-F63 HydrophobicContact CG-CZ 4.29Å | ||
| 49 | V | 60.4 | Low | 59.2 | Low | 124 Ų | 124 | 102.9 Ų | 102.9 | 75% | 0.752 | 60% | 0.595 | S | S | * | * | trans | -81.9 | 109.4 | 171 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | V47 V51 | V47-V49 PolarHBondContact O-N 3.4Å; V47-V49 VanDerWaalsContact O-N 3.1Å; V49-V51 HydrophobicContact CG1-CG2 4.09Å; V49-V51 PolarHBondContact O-N 3.41Å | ||
| 50 | V | 61.2 | Low | 59 | Low | 72 Ų | 72 | 108.1 Ų | 108.1 | 44% | 0.436 | 62% | 0.616 | S | S | . | * | trans | -87 | 109.7 | 172.7 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | P48 L61 F63 | P48-V50 PolarHBondContact O-N 3.2Å; V50-L61 HydrophobicContact CB-CD1 4.26Å; V50-L61 HydrophobicContact CG1-CD1 4.03Å; V50-L61 HydrophobicContact CG2-CD1 3.98Å; V50-F63 HydrophobicContact CG2-CE1 3.76Å; V50-F63 HydrophobicContact CG2-CZ 3.73Å | ||
| 51 | V | 56.1 | Low | 58.9 | Low | 127 Ų | 127 | 105.5 Ų | 105.5 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | trans | -92.8 | 106.7 | 169.9 | -177.4 | 0 | 0 | 0 | 0 | 107.1 | V49 | V49-V51 HydrophobicContact CG1-CG2 4.09Å; V49-V51 PolarHBondContact O-N 3.41Å | ||
| 52 | D | 58.7 | Low | 58.7 | Low | 56 Ų | 56 | 111.5 Ų | 111.5 | 30% | 0.299 | 62% | 0.617 | S | S | . | * | trans | -72.4 | 129.5 | 167 | 175.8 | 19.8 | 0 | 0 | 0 | 109.2 | K54 G55 Q56 | D52-K54 PolarHBondContact O-N 3.34Å; D52-K54 VanDerWaalsContact O-N 3.11Å; D52-K54 PolarHBondContact OD1-N 3Å; D52-G55 PolarHBondContact O-N 2.99Å; D52-G55 PolarHBondContact OD2-N 3.41Å; D52-Q56 WeakPolarHBondContact OD2-CA 3.31Å; D52-Q56 WeakPolarHBondContact OD2-CB 3.44Å; D52-Q56 PolarHBondContact OD2-N 3.03Å | ||
| 53 | S | 62.2 | Low | 58.7 | Low | 119 Ų | 119 | 110.1 Ų | 110.1 | 83% | 0.832 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -21.7 | 171.9 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 54 | K | 65.3 | Low | 58.5 | Low | 190 Ų | 190 | 113.1 Ų | 113.1 | 83% | 0.826 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 5.1 | 176.7 | -66.3 | -164.5 | 177.4 | -170.5 | 0 | 114.6 | D52 Q56 | D52-K54 PolarHBondContact O-N 3.34Å; D52-K54 VanDerWaalsContact O-N 3.11Å; D52-K54 PolarHBondContact OD1-N 3Å; K54-Q56 VanDerWaalsContact C-N 3.27Å; K54-Q56 PolarHBondContact O-N 3.41Å |
| 55 | G | 57.5 | Low | 58.2 | Low | 68 Ų | 68 | 113.4 Ų | 113.4 | 70% | 0.701 | 61% | 0.605 | S | S | * | * | trans | 70.7 | 16.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115 | D52 N57 | D52-G55 PolarHBondContact O-N 2.99Å; D52-G55 PolarHBondContact OD2-N 3.41Å; G55-N57 PolarHBondContact O-N 3.4Å | ||
| 56 | Q | 57.7 | Low | 57.8 | Low | 155 Ų | 155 | 118.9 Ų | 118.9 | 72% | 0.724 | 61% | 0.608 | S | S | * | * | trans | -77.9 | 123.8 | 175.6 | -153.7 | 171.9 | 15.3 | 0 | 0 | 109.3 | D52 K54 P58 | D52-Q56 WeakPolarHBondContact OD2-CA 3.31Å; D52-Q56 WeakPolarHBondContact OD2-CB 3.44Å; D52-Q56 PolarHBondContact OD2-N 3.03Å; K54-Q56 VanDerWaalsContact C-N 3.27Å; K54-Q56 PolarHBondContact O-N 3.41Å; Q56-P58 VanDerWaalsContact O-CD 3.28Å; Q56-P58 WeakPolarHBondContact O-CD 3.08Å | ||
| 57 | N | 57.8 | Low | 57.5 | Low | 113 Ų | 113 | 113.5 Ų | 113.5 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | trans | -69.4 | 119.4 | 173 | -166.2 | -66.9 | 0 | 0 | 0 | 108.3 | G55 D59 | G55-N57 PolarHBondContact O-N 3.4Å; N57-D59 PolarHBondContact O-N 3.31Å; N57-D59 PolarHBondContact OD1-N 3.07Å; N57-D59 PolarHBondContact OD1-OD1 3.42Å | ||
| 58 | P | 56.2 | Low | 57 | Low | 53 Ų | 53 | 113.7 Ų | 113.7 | 34% | 0.344 | 60% | 0.6 | S | S | . | * | trans | -78.6 | 82.5 | 173.1 | 31.8 | -29.8 | 0 | 0 | 0 | 107.7 | Q56 K60 L61 | Q56-P58 VanDerWaalsContact O-CD 3.28Å; Q56-P58 WeakPolarHBondContact O-CD 3.08Å; P58-K60 PolarHBondContact O-N 3.29Å; P58-L61 HydrophobicContact CB-CB 4.22Å; P58-L61 HydrophobicContact CB-CD1 3.5Å; P58-L61 HydrophobicContact CB-CG 3.71Å; P58-L61 HydrophobicContact CG-CB 4.45Å; P58-L61 HydrophobicContact CG-CD1 3.55Å; P58-L61 HydrophobicContact CG-CG 4.19Å; P58-L61 PolarHBondContact O-N 3.27Å | ||
| 59 | D | 57.6 | Low | 56.9 | Low | 146 Ų | 146 | 120.2 Ų | 120.2 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -3.2 | 179.7 | -71.6 | -40.4 | 0 | 0 | 0 | 113.8 | N57 | N57-D59 PolarHBondContact O-N 3.31Å; N57-D59 PolarHBondContact OD1-N 3.07Å; N57-D59 PolarHBondContact OD1-OD1 3.42Å |
| 60 | K | 56.8 | Low | 56.5 | Low | 201 Ų | 201 | 121.2 Ų | 121.2 | 87% | 0.874 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.4 | 25.2 | -176.2 | -104.5 | 175.7 | -176.2 | 175.8 | 0 | 116.1 | P58 R62 | P58-K60 PolarHBondContact O-N 3.29Å; K60-R62 VanDerWaalsContact C-N 3.28Å; K60-R62 PolarHBondContact O-N 3.5Å |
| 61 | L | 56.8 | Low | 56.1 | Low | 88 Ų | 88 | 123 Ų | 123 | 46% | 0.461 | 63% | 0.634 | S | S | . | * | trans | -72.8 | 91.2 | 163.9 | -82.3 | 170.6 | 0 | 0 | 0 | 109 | V50 P58 F63 | V50-L61 HydrophobicContact CB-CD1 4.26Å; V50-L61 HydrophobicContact CG1-CD1 4.03Å; V50-L61 HydrophobicContact CG2-CD1 3.98Å; P58-L61 HydrophobicContact CB-CB 4.22Å; P58-L61 HydrophobicContact CB-CD1 3.5Å; P58-L61 HydrophobicContact CB-CG 3.71Å; P58-L61 HydrophobicContact CG-CB 4.45Å; P58-L61 HydrophobicContact CG-CD1 3.55Å; P58-L61 HydrophobicContact CG-CG 4.19Å; P58-L61 PolarHBondContact O-N 3.27Å; L61-F63 VanDerWaalsContact C-N 3.33Å; L61-F63 HydrophobicContact CB-CE1 4.31Å; L61-F63 HydrophobicContact CB-CE2 4.21Å; L61-F63 HydrophobicContact CB-CZ 3.95Å; L61-F63 VanDerWaalsContact O-CD2 3.24Å; L61-F63 WeakPolarHBondContact O-CD2 2.97Å; L61-F63 WeakPolarHBondContact O-CE2 3.42Å; L61-F63 PolarHBondContact O-N 3.23Å | ||
| 62 | R | 57.5 | Low | 55.7 | Low | 198 Ų | 198 | 120.7 Ų | 120.7 | 75% | 0.747 | 62% | 0.617 | S | S | * | * | trans | -69.7 | 94.5 | 170.8 | -175.6 | 178.5 | 162.7 | 174.1 | 1.2 | 107.9 | K60 N64 | K60-R62 VanDerWaalsContact C-N 3.28Å; K60-R62 PolarHBondContact O-N 3.5Å; R62-N64 PolarHBondContact NE-OD1 2.89Å; R62-N64 PolarHBondContact O-N 3.18Å | ||
| 63 | F | 55.4 | Low | 55.5 | Low | 86 Ų | 86 | 123 Ų | 123 | 38% | 0.377 | 64% | 0.638 | S | S | . | * | trans | -64.8 | 97.8 | 170.5 | -58.7 | -72.6 | 0 | 0 | 0 | 108.4 | P48 V50 L61 F65 | P48-F63 HydrophobicContact CB-CD1 4.38Å; P48-F63 HydrophobicContact CB-CE1 4.15Å; P48-F63 HydrophobicContact CG-CD1 3.38Å; P48-F63 HydrophobicContact CG-CE1 3.57Å; P48-F63 HydrophobicContact CG-CG 3.96Å; P48-F63 HydrophobicContact CG-CZ 4.29Å; V50-F63 HydrophobicContact CG2-CE1 3.76Å; V50-F63 HydrophobicContact CG2-CZ 3.73Å; L61-F63 VanDerWaalsContact C-N 3.33Å; L61-F63 HydrophobicContact CB-CE1 4.31Å; L61-F63 HydrophobicContact CB-CE2 4.21Å; L61-F63 HydrophobicContact CB-CZ 3.95Å; L61-F63 VanDerWaalsContact O-CD2 3.24Å; L61-F63 WeakPolarHBondContact O-CD2 2.97Å; L61-F63 WeakPolarHBondContact O-CE2 3.42Å; L61-F63 PolarHBondContact O-N 3.23Å; F63-F65 VanDerWaalsContact C-N 3.32Å; F63-F65 HydrophobicContact CB-CE2 3.97Å; F63-F65 HydrophobicContact CB-CZ 4Å; F63-F65 PolarHBondContact O-N 2.88Å; F63-F65 VanDerWaalsContact O-N 3.08Å | ||
| 64 | N | 55.2 | Low | 55 | Low | 104 Ų | 104 | 124.1 Ų | 124.1 | 56% | 0.556 | 63% | 0.633 | S | S | * | * | trans | -78.4 | 92.6 | 169.5 | -63.1 | -58.4 | 0 | 0 | 0 | 106.6 | R62 | R62-N64 PolarHBondContact NE-OD1 2.89Å; R62-N64 PolarHBondContact O-N 3.18Å | ||
| 65 | F | 54.2 | Low | 54.2 | Low | 81 Ų | 81 | 118.1 Ų | 118.1 | 36% | 0.355 | 61% | 0.611 | S | S | . | * | trans | -60.3 | 144.3 | 167.2 | -64.1 | -71.9 | 0 | 0 | 0 | 109.1 | Y46 F63 T67 | Y46-F65 WeakPolarHBondContact O-CE1 3.41Å; F63-F65 VanDerWaalsContact C-N 3.32Å; F63-F65 HydrophobicContact CB-CE2 3.97Å; F63-F65 HydrophobicContact CB-CZ 4Å; F63-F65 PolarHBondContact O-N 2.88Å; F63-F65 VanDerWaalsContact O-N 3.08Å; F65-T67 PolarHBondContact O-N 3.2Å | ||
| 66 | Y | 50.6 | Low | 53.6 | Low | 200 Ų | 200 | 119.8 Ų | 119.8 | 78% | 0.784 | 61% | 0.609 | S | S | * | * | trans | -57.9 | 105.8 | 174.3 | -78.7 | -84.7 | 0 | 0 | 0 | 109.3 | ||||
| 67 | T | 52 | Low | 53.1 | Low | 64 Ų | 64 | 120.5 Ų | 120.5 | 39% | 0.393 | 61% | 0.61 | S | S | . | * | trans | -89.6 | 145.9 | 168.1 | 71.8 | 0 | 0 | 0 | 0 | 108.9 | F65 Q69 Y70 | F65-T67 PolarHBondContact O-N 3.2Å; T67-Q69 PolarHBondContact O-N 3.26Å; T67-Y70 HydrophobicContact CG2-CE2 4.31Å; T67-Y70 PolarHBondContact O-N 3.15Å; T67-Y70 VanDerWaalsContact O-N 3.12Å; T67-Y70 WeakPolarHBondContact OG1-CD2 3.08Å; T67-Y70 WeakPolarHBondContact OG1-CE2 3.3Å | ||
| 68 | S | 51 | Low | 52.7 | Low | 101 Ų | 101 | 122.4 Ų | 122.4 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -9.6 | -180 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | E39 | E39-S68 PolarHBondContact OE1-OG 2.8Š|
| 69 | Q | 54.1 | Low | 52.4 | Low | 179 Ų | 179 | 125.8 Ų | 125.8 | 84% | 0.836 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -12.9 | 178.9 | -56.5 | -162.5 | 13.2 | 0 | 0 | 113.6 | T67 S71 | T67-Q69 PolarHBondContact O-N 3.26Å; Q69-S71 PolarHBondContact O-N 3.42Å |
| 70 | Y | 52.6 | Low | 52.2 | Low | 144 Ų | 144 | 123 Ų | 123 | 57% | 0.565 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -82.4 | 113 | 172.9 | -68.8 | -74.1 | 0 | 0 | 0 | 109.8 | T67 N72 | T67-Y70 HydrophobicContact CG2-CE2 4.31Å; T67-Y70 PolarHBondContact O-N 3.15Å; T67-Y70 VanDerWaalsContact O-N 3.12Å; T67-Y70 WeakPolarHBondContact OG1-CD2 3.08Å; T67-Y70 WeakPolarHBondContact OG1-CE2 3.3Å; Y70-N72 PolarHBondContact O-N 3.12Å; Y70-N72 VanDerWaalsContact O-N 3.15Å |
| 71 | S | 52.6 | Low | 52 | Low | 110 Ų | 110 | 121.5 Ų | 121.5 | 77% | 0.769 | 61% | 0.61 | S | S | * | * | trans | -59.2 | 117 | 164.8 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | Q69 S73 | Q69-S71 PolarHBondContact O-N 3.42Å; S71-S73 VanDerWaalsContact C-N 3.27Å; S71-S73 PolarHBondContact O-N 2.97Å | ||
| 72 | N | 47.6 | Very low | 51.7 | Low | 78 Ų | 78 | 125 Ų | 125 | 42% | 0.417 | 62% | 0.622 | S | S | . | * | trans | -75.7 | 80 | -176.9 | -168.8 | -20.3 | 0 | 0 | 0 | 110.3 | Y70 L74 N75 | Y70-N72 PolarHBondContact O-N 3.12Å; Y70-N72 VanDerWaalsContact O-N 3.15Å; N72-L74 VanDerWaalsContact C-N 3.34Å; N72-L74 PolarHBondContact OD1-N 2.72Å; N72-N75 PolarHBondContact ND2-ND2 3.15Å; N72-N75 PolarHBondContact ND2-OD1 2.68Å; N72-N75 PolarHBondContact OD1-N 2.82Å; N72-N75 PolarHBondContact OD1-ND2 2.86Å; N72-N75 PolarHBondContact OD1-OD1 3.28Å | ||
| 73 | S | 55.6 | Low | 51.3 | Low | 105 Ų | 105 | 118.9 Ų | 118.9 | 73% | 0.734 | 61% | 0.607 | S | S | * | * | trans | -87.3 | -4.6 | 172.1 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | S71 | S71-S73 VanDerWaalsContact C-N 3.27Å; S71-S73 PolarHBondContact O-N 2.97Å | ||
| 74 | L | 50.9 | Low | 51.1 | Low | 142 Ų | 142 | 119.2 Ų | 119.2 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | trans | -121.2 | 54.4 | -176.9 | -69.4 | 174.2 | 0 | 0 | 0 | 111.9 | N72 P76 | N72-L74 VanDerWaalsContact C-N 3.34Å; N72-L74 PolarHBondContact OD1-N 2.72Å; L74-P76 WeakPolarHBondContact O-CD 3.32Å | ||
| 75 | N | 48.3 | Very low | 51 | Low | 65 Ų | 65 | 119.8 Ų | 119.8 | 35% | 0.348 | 63% | 0.628 | S | S | . | * | trans | -99.3 | 85.5 | 162.5 | -84.2 | -30.5 | 0 | 0 | 0 | 110.9 | N72 F77 Y78 | N72-N75 PolarHBondContact ND2-ND2 3.15Å; N72-N75 PolarHBondContact ND2-OD1 2.68Å; N72-N75 PolarHBondContact OD1-N 2.82Å; N72-N75 PolarHBondContact OD1-ND2 2.86Å; N72-N75 PolarHBondContact OD1-OD1 3.28Å; N75-F77 VanDerWaalsContact C-N 3.25Å; N75-Y78 VanDerWaalsContact ND2-CD2 3.3Å; N75-Y78 WeakPolarHBondContact ND2-CD2 3.49Å | ||
| 76 | P | 45.6 | Very low | 51.3 | Low | 102 Ų | 102 | 117.9 Ų | 117.9 | 66% | 0.662 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -79.9 | -17.4 | 145.1 | 29.8 | -22.7 | 0 | 0 | 0 | 110.6 | L74 | L74-P76 WeakPolarHBondContact O-CD 3.32Š|
| 77 | F | 47.7 | Very low | 51.2 | Low | 171 Ų | 171 | 119.8 Ų | 119.8 | 75% | 0.75 | 64% | 0.638 | S | S | * | * | trans | -126 | 61.5 | 178.1 | -50.4 | -71.7 | 0 | 0 | 0 | 110.5 | N75 T79 | N75-F77 VanDerWaalsContact C-N 3.25Å; F77-T79 PolarHBondContact O-N 3.4Å | ||
| 78 | Y | 48.6 | Very low | 51.5 | Low | 153 Ų | 153 | 123.5 Ų | 123.5 | 60% | 0.6 | 66% | 0.655 | S | S | * | * | trans | -61.4 | 97.8 | 155 | -168.9 | -108.6 | 0 | 0 | 0 | 105.5 | N75 L80 | N75-Y78 VanDerWaalsContact ND2-CD2 3.3Å; N75-Y78 WeakPolarHBondContact ND2-CD2 3.49Å; Y78-L80 VanDerWaalsContact CD1-CA 3.44Å; Y78-L80 HydrophobicContact CD1-CB 3.6Å; Y78-L80 HydrophobicContact CD1-CD1 3.65Å; Y78-L80 HydrophobicContact CD1-CG 3.82Å; Y78-L80 HydrophobicContact CE1-CB 3.84Å; Y78-L80 HydrophobicContact CE1-CD1 3.65Å; Y78-L80 HydrophobicContact CE1-CG 3.63Å; Y78-L80 PolarHBondContact O-N 3.42Å | ||
| 79 | T | 50.5 | Low | 52 | Low | 124 Ų | 124 | 125.5 Ų | 125.5 | 76% | 0.761 | 65% | 0.648 | S | S | * | * | trans | -67.9 | 84.6 | 160.6 | 56.1 | 0 | 0 | 0 | 0 | 103.9 | F77 Q81 | F77-T79 PolarHBondContact O-N 3.4Å; T79-Q81 PolarHBondContact O-N 3.35Å | ||
| 80 | L | 53 | Low | 52.5 | Low | 88 Ų | 88 | 125.2 Ų | 125.2 | 46% | 0.461 | 64% | 0.639 | S | S | . | * | trans | -49.9 | 94.7 | 167.6 | -155 | 127.8 | 0 | 0 | 0 | 102.8 | Y78 K82 | Y78-L80 VanDerWaalsContact CD1-CA 3.44Å; Y78-L80 HydrophobicContact CD1-CB 3.6Å; Y78-L80 HydrophobicContact CD1-CD1 3.65Å; Y78-L80 HydrophobicContact CD1-CG 3.82Å; Y78-L80 HydrophobicContact CE1-CB 3.84Å; Y78-L80 HydrophobicContact CE1-CD1 3.65Å; Y78-L80 HydrophobicContact CE1-CG 3.63Å; Y78-L80 PolarHBondContact O-N 3.42Å; L80-K82 PolarHBondContact O-N 3.48Å | ||
| 81 | Q | 52 | Low | 53.2 | Low | 168 Ų | 168 | 127.5 Ų | 127.5 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | trans | -42.8 | 114.4 | -176.1 | 177 | 177.7 | -6.8 | 0 | 0 | 103.9 | T79 | T79-Q81 PolarHBondContact O-N 3.35Š| ||
| 82 | K | 50 | Low | 54.2 | Low | 163 Ų | 163 | 129.4 Ų | 129.4 | 71% | 0.709 | 64% | 0.644 | S | S | * | * | trans | -42.5 | 128.7 | -175.6 | -87.6 | -178.5 | 173.7 | 178.8 | 0 | 105.5 | L80 T84 | L80-K82 PolarHBondContact O-N 3.48Å; K82-T84 HydrophobicContact CB-CG2 4.13Å; K82-T84 WeakPolarHBondContact CB-OG1 3.42Å; K82-T84 PolarHBondContact O-N 3.19Å; K82-T84 PolarHBondContact O-OG1 2.78Å | ||
| 83 | P | 49.1 | Very low | 55.2 | Low | 68 Ų | 68 | 128.2 Ų | 128.2 | 44% | 0.442 | 64% | 0.639 | S | S | . | * | trans | -70.8 | 67.8 | 174.4 | 30.5 | -33.3 | 0 | 0 | 0 | 106.7 | H95 | P83-H95 PolarHBondContact O-CE1 3.24Å; P83-H95 VanDerWaalsContact O-CE1 3.24Å; P83-H95 PolarHBondContact O-ND1 3.08Å | ||
| 84 | T | 51.4 | Low | 55.8 | Low | 93 Ų | 93 | 128.4 Ų | 128.4 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -119.8 | 100.6 | 178.2 | 40.3 | 0 | 0 | 0 | 0 | 104.9 | K82 G86 | K82-T84 HydrophobicContact CB-CG2 4.13Å; K82-T84 WeakPolarHBondContact CB-OG1 3.42Å; K82-T84 PolarHBondContact O-N 3.19Å; K82-T84 PolarHBondContact O-OG1 2.78Å; T84-G86 VanDerWaalsContact C-N 3.33Å; T84-G86 PolarHBondContact O-N 3.2Å |
| 85 | C | 53 | Low | 56.5 | Low | 117 Ų | 117 | 126 Ų | 126 | 79% | 0.791 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 51.2 | 21.2 | 157.9 | 65.6 | 0 | 0 | 0 | 0 | 120.5 | ||
| 86 | G | 60.3 | Low | 57.5 | Low | 41 Ų | 41 | 127.3 Ų | 127.3 | 42% | 0.423 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -76 | 171.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T84 L88 Y89 | T84-G86 VanDerWaalsContact C-N 3.33Å; T84-G86 PolarHBondContact O-N 3.2Å; G86-L88 PolarHBondContact O-N 3.09Å; G86-Y89 PolarHBondContact O-N 3.28Å |
| 87 | Y | 50.2 | Low | 58.3 | Low | 239 Ų | 239 | 133.6 Ų | 133.6 | 94% | 0.937 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.3 | -10.5 | -178.6 | -171.1 | -100.9 | 0 | 0 | 0 | 117.4 | ||
| 88 | L | 57.8 | Low | 59.3 | Low | 142 Ų | 142 | 132 Ų | 132 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 23 | 177 | -62.7 | 173.8 | 0 | 0 | 0 | 113.1 | G86 R90 | G86-L88 PolarHBondContact O-N 3.09Å; L88-R90 PolarHBondContact O-N 3.19Å |
| 89 | Y | 60.5 | Low | 60 | Low | 144 Ų | 144 | 135.9 Ų | 135.9 | 57% | 0.565 | 64% | 0.644 | S | S | * | * | trans | -59 | 120.5 | 174.2 | 177 | -103.9 | 0 | 0 | 0 | 110.4 | G86 H95 | G86-Y89 PolarHBondContact O-N 3.28Å; Y89-H95 AromaticContact CE2-NE2 3.86Å | ||
| 90 | R | 65.6 | Low | 60.7 | Low | 172 Ų | 172 | 136.4 Ų | 136.4 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | trans | -123.3 | 129 | 170.2 | -62.8 | 179.6 | 179.5 | -171.1 | -1.5 | 108 | L88 E92 T93 | L88-R90 PolarHBondContact O-N 3.19Å; R90-E92 PolarHBondContact O-N 3.06Å; R90-T93 WeakPolarHBondContact CB-OG1 3.43Å; R90-T93 VanDerWaalsContact O-CB 3.28Å; R90-T93 WeakPolarHBondContact O-CB 3.22Å; R90-T93 PolarHBondContact O-N 2.73Å; R90-T93 PolarHBondContact O-OG1 2.76Å | ||
| 91 | R | 67.7 | Low | 61.6 | Low | 193 Ų | 193 | 139.8 Ų | 139.8 | 73% | 0.728 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -26.2 | -178.3 | -170.2 | -173.9 | -63.7 | 112.3 | -4.6 | 111.7 | T93 | R91-T93 PolarHBondContact O-N 3.46Š|
| 92 | E | 72.7 | Confident | 62.6 | Low | 150 Ų | 150 | 137 Ų | 137 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -2.1 | 179.6 | -52.2 | 71.1 | -149.9 | 0 | 0 | 112.2 | R90 D94 | R90-E92 PolarHBondContact O-N 3.06Å; E92-D94 PolarHBondContact O-N 3.48Å |
| 93 | T | 68.2 | Low | 63.9 | Low | 53 Ų | 53 | 134.1 Ų | 134.1 | 33% | 0.325 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -70.1 | 120.8 | 174.4 | -48.9 | 0 | 0 | 0 | 0 | 108.4 | R90 R91 H95 | R90-T93 WeakPolarHBondContact CB-OG1 3.43Å; R90-T93 VanDerWaalsContact O-CB 3.28Å; R90-T93 WeakPolarHBondContact O-CB 3.22Å; R90-T93 PolarHBondContact O-N 2.73Å; R90-T93 PolarHBondContact O-OG1 2.76Å; R91-T93 PolarHBondContact O-N 3.46Å; T93-H95 PolarHBondContact O-CD2 2.87Å; T93-H95 PolarHBondContact O-N 2.64Å |
| 94 | D | 68.9 | Low | 65.1 | Low | 109 Ų | 109 | 137 Ų | 137 | 58% | 0.583 | 67% | 0.666 | S | S | * | * | trans | -67.1 | 105.1 | 169.3 | -175.5 | 6.8 | 0 | 0 | 0 | 109.3 | E92 T96 | E92-D94 PolarHBondContact O-N 3.48Å; D94-T96 WeakPolarHBondContact OD1-CB 3.33Å; D94-T96 WeakPolarHBondContact OD1-CG2 3.44Å; D94-T96 PolarHBondContact OD1-N 3.24Å; D94-T96 PolarHBondContact OD1-OG1 3.2Å; D94-T96 PolarHBondContact OD2-OG1 3.09Å | ||
| 95 | H | 64.8 | Low | 66.6 | Low | 92 Ų | 92 | 136.4 Ų | 136.4 | 43% | 0.426 | 67% | 0.67 | S | S | . | * | trans | -84.6 | 6.5 | 176 | -64.4 | -73.1 | 0 | 0 | 0 | 112.5 | P83 Y89 T93 R97 | P83-H95 PolarHBondContact O-CE1 3.24Å; P83-H95 VanDerWaalsContact O-CE1 3.24Å; P83-H95 PolarHBondContact O-ND1 3.08Å; Y89-H95 AromaticContact CE2-NE2 3.86Å; T93-H95 PolarHBondContact O-CD2 2.87Å; T93-H95 PolarHBondContact O-N 2.64Å; H95-R97 PolarHBondContact O-N 2.99Å | ||
| 96 | T | 69.1 | Low | 67.9 | Low | 92 Ų | 92 | 135 Ų | 135 | 56% | 0.564 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -59.1 | 141.6 | 172.6 | 64.3 | 0 | 0 | 0 | 0 | 109.3 | D94 K98 | D94-T96 WeakPolarHBondContact OD1-CB 3.33Å; D94-T96 WeakPolarHBondContact OD1-CG2 3.44Å; D94-T96 PolarHBondContact OD1-N 3.24Å; D94-T96 PolarHBondContact OD1-OG1 3.2Å; D94-T96 PolarHBondContact OD2-OG1 3.09Å; T96-K98 PolarHBondContact O-N 2.9Å |
| 97 | R | 63.6 | Low | 68.9 | Low | 234 Ų | 234 | 136.7 Ų | 136.7 | 88% | 0.883 | 66% | 0.66 | S | S | * | * | trans | -59 | 106.5 | 173.5 | 177.4 | 177.4 | 172.2 | 174.4 | -3.6 | 106.8 | H95 R99 | H95-R97 PolarHBondContact O-N 2.99Å; R97-R99 PolarHBondContact O-N 2.72Å | ||
| 98 | K | 68.6 | Low | 70.3 | Confident | 138 Ų | 138 | 129.9 Ų | 129.9 | 60% | 0.6 | 64% | 0.643 | S | S | * | * | trans | -51.5 | 117.8 | 171.1 | -69.8 | -165.5 | 176.2 | -171.1 | 0 | 107.2 | T96 F100 | T96-K98 PolarHBondContact O-N 2.9Å; K98-F100 HydrophobicContact CB-CD2 3.97Å; K98-F100 HydrophobicContact CB-CE2 3.61Å; K98-F100 HydrophobicContact CB-CZ 4.23Å; K98-F100 HydrophobicContact CD-CE2 4.5Å; K98-F100 HydrophobicContact CD-CZ 4.37Å; K98-F100 WeakPolarHBondContact O-CD2 3.01Å; K98-F100 PolarHBondContact O-N 2.99Å | ||
| 99 | R | 63.6 | Low | 71.2 | Confident | 234 Ų | 234 | 129.7 Ų | 129.7 | 88% | 0.883 | 64% | 0.642 | S | S | * | * | trans | -68.3 | 92.2 | 166.9 | -71.6 | -170.6 | 175.1 | -167.1 | -0.1 | 105.4 | R97 D101 | R97-R99 PolarHBondContact O-N 2.72Å; R99-D101 PolarHBondContact O-N 2.86Å | ||
| 100 | F | 63.9 | Low | 72.1 | Confident | 135 Ų | 135 | 132.3 Ų | 132.3 | 59% | 0.592 | 65% | 0.651 | S | S | * | * | trans | -71 | 120.1 | 157.7 | -69.5 | -86.3 | 0 | 0 | 0 | 104.1 | K98 V102 | K98-F100 HydrophobicContact CB-CD2 3.97Å; K98-F100 HydrophobicContact CB-CE2 3.61Å; K98-F100 HydrophobicContact CB-CZ 4.23Å; K98-F100 HydrophobicContact CD-CE2 4.5Å; K98-F100 HydrophobicContact CD-CZ 4.37Å; K98-F100 WeakPolarHBondContact O-CD2 3.01Å; K98-F100 PolarHBondContact O-N 2.99Å; F100-V102 HydrophobicContact CB-CB 4.25Å; F100-V102 HydrophobicContact CB-CG2 3.83Å; F100-V102 PolarHBondContact O-N 3.45Å | ||
| 101 | D | 73.6 | Confident | 72.8 | Confident | 158 Ų | 158 | 133.7 Ų | 133.7 | 85% | 0.845 | 66% | 0.656 | S | S | * | * | trans | -67.1 | 33.7 | 173 | -60.6 | -51.3 | 0 | 0 | 0 | 111.6 | R99 P103 | R99-D101 PolarHBondContact O-N 2.86Å; D101-P103 WeakPolarHBondContact O-CD 3.18Å | ||
| 102 | V | 71.9 | Confident | 73 | Confident | 110 Ų | 110 | 130 Ų | 130 | 67% | 0.667 | 66% | 0.66 | S | S | * | * | trans | -83.5 | 114.7 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 106.2 | F100 | F100-V102 HydrophobicContact CB-CB 4.25Å; F100-V102 HydrophobicContact CB-CG2 3.83Å; F100-V102 PolarHBondContact O-N 3.45Å | ||
| 103 | P | 77.1 | Confident | 72.3 | Confident | 103 Ų | 103 | 135.6 Ų | 135.6 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 146.5 | 177.1 | 25.8 | -33 | 0 | 0 | 0 | 109.9 | D101 A105 | D101-P103 WeakPolarHBondContact O-CD 3.18Å; P103-A105 PolarHBondContact O-N 2.85Å |
| 104 | P | 74.1 | Confident | 72.5 | Confident | 128 Ų | 128 | 139.7 Ų | 139.7 | 83% | 0.831 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136.3 | 175.1 | 25.1 | -32.8 | 0 | 0 | 0 | 110 | N106 | P104-N106 PolarHBondContact O-N 2.82Š|
| 105 | A | 82.7 | Confident | 72.7 | Confident | 80 Ų | 80 | 141.3 Ų | 141.3 | 66% | 0.661 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 126.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P103 S107 | P103-A105 PolarHBondContact O-N 2.85Å; A105-S107 PolarHBondContact O-N 3.19Å |
| 106 | N | 81.4 | Confident | 73.2 | Confident | 87 Ų | 87 | 144.1 Ų | 144.1 | 47% | 0.465 | 73% | 0.726 | S | S | . | * | trans | -84.3 | 100.3 | 172.3 | -176.1 | -10 | 0 | 0 | 0 | 109.7 | P104 V108 L109 | P104-N106 PolarHBondContact O-N 2.82Å; N106-V108 PolarHBondContact O-N 2.85Å; N106-V108 VanDerWaalsContact OD1-CB 3.23Å; N106-V108 WeakPolarHBondContact OD1-CB 3.45Å; N106-V108 WeakPolarHBondContact OD1-CG2 3.28Å; N106-V108 PolarHBondContact OD1-N 2.99Å; N106-L109 HydrophobicContact CB-CD1 4.09Å; N106-L109 HydrophobicContact CB-CG 4.22Å; N106-L109 PolarHBondContact O-N 2.83Å | ||
| 107 | S | 81.1 | Confident | 73.4 | Confident | 78 Ų | 78 | 147.1 Ų | 147.1 | 55% | 0.545 | 74% | 0.736 | S | S | . | * | G | 310 helix | trans | -67.5 | -14.3 | -179.1 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | A105 L109 W110 | A105-S107 PolarHBondContact O-N 3.19Å; S107-L109 VanDerWaalsContact C-N 3.3Å; S107-W110 PolarHBondContact O-N 3.47Å |
| 108 | V | 80.4 | Confident | 74 | Confident | 95 Ų | 95 | 141.7 Ų | 141.7 | 58% | 0.576 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -68.6 | -32.9 | 176.7 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | N106 W110 R111 | N106-V108 PolarHBondContact O-N 2.85Å; N106-V108 VanDerWaalsContact OD1-CB 3.23Å; N106-V108 WeakPolarHBondContact OD1-CB 3.45Å; N106-V108 WeakPolarHBondContact OD1-CG2 3.28Å; N106-V108 PolarHBondContact OD1-N 2.99Å; V108-W110 PolarHBondContact O-N 3.27Å; V108-R111 PolarHBondContact O-N 3.09Å |
| 109 | L | 75.8 | Confident | 74.4 | Confident | 138 Ų | 138 | 141.9 Ų | 141.9 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -66.1 | -16.5 | 178.1 | -63.3 | 176.8 | 0 | 0 | 0 | 113.4 | N106 S107 | N106-L109 HydrophobicContact CB-CD1 4.09Å; N106-L109 HydrophobicContact CB-CG 4.22Å; N106-L109 PolarHBondContact O-N 2.83Å; S107-L109 VanDerWaalsContact C-N 3.3Å |
| 110 | W | 78.5 | Confident | 75.1 | Confident | 199 Ų | 199 | 135.4 Ų | 135.4 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -93.5 | -2.8 | -179.5 | -59.4 | -7.7 | 0 | 0 | 0 | 112.9 | S107 V108 S112 | S107-W110 PolarHBondContact O-N 3.47Å; V108-W110 PolarHBondContact O-N 3.27Å; W110-S112 VanDerWaalsContact C-N 3.33Å; W110-S112 PolarHBondContact O-N 3Å; W110-S112 VanDerWaalsContact O-N 3.09Å |
| 111 | R | 80.2 | Confident | 76 | Confident | 202 Ų | 202 | 135.4 Ų | 135.4 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | -79.5 | 89.3 | 168.9 | -60.4 | -173.9 | -176.3 | -134.7 | 2 | 107.3 | V108 Q113 | V108-R111 PolarHBondContact O-N 3.09Å; R111-Q113 PolarHBondContact O-N 3.22Å | ||
| 112 | S | 71.7 | Confident | 76.2 | Confident | 115 Ų | 115 | 133.5 Ų | 133.5 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -58.4 | 130.8 | 163.9 | 49.8 | 0 | 0 | 0 | 0 | 108.8 | W110 | W110-S112 VanDerWaalsContact C-N 3.33Å; W110-S112 PolarHBondContact O-N 3Å; W110-S112 VanDerWaalsContact O-N 3.09Å | ||
| 113 | Q | 59.5 | Low | 76.6 | Confident | 267 Ų | 267 | 135.6 Ų | 135.6 | 100% | 1.248 | 73% | 0.731 | S | S | * | * | trans | -73.2 | 0 | 176.7 | -144.3 | 179 | 29.8 | 0 | 0 | 111.1 | R111 | R111-Q113 PolarHBondContact O-N 3.22Š|
Retrieved 113 of 113 residues in 30.9 ms
(Link to these results)