| 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 | 48.3 | Very low | 65.4 | Low | 248 Ų | 248 | 181.5 Ų | 181.5 | 100% | 1.222 | 87% | 0.865 | S | S | * | * | 0 | 111.8 | 0 | -63.8 | -159.4 | -91.2 | 0 | 0 | 108.9 | |||||
| 2 | S | 67.6 | Low | 65.4 | Low | 119 Ų | 119 | 177.3 Ų | 177.3 | 83% | 0.832 | 85% | 0.849 | S | S | * | * | trans | -146.5 | 94.8 | 174.9 | -159.6 | 0 | 0 | 0 | 0 | 109.4 | R4 | S2-R4 VanDerWaalsContact C-N 3.35Å; S2-R4 PolarHBondContact O-N 2.97Å; S2-R4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | R | 67.1 | Low | 65.2 | Low | 250 Ų | 250 | 177.5 Ų | 177.5 | 94% | 0.943 | 84% | 0.844 | S | S | * | * | trans | -80.9 | 85.7 | 173.4 | -87.6 | -177.7 | -179.9 | -173.3 | -0.2 | 108.2 | K5 | R3-K5 PolarHBondContact O-N 3.18Å; R3-K5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | R | 73.1 | Confident | 65.2 | Low | 227 Ų | 227 | 179.4 Ų | 179.4 | 86% | 0.857 | 84% | 0.838 | S | S | * | * | trans | -68.4 | 105.5 | 169.6 | -164.3 | 173.9 | -153.8 | -178.6 | 5.9 | 108.1 | S2 Q6 | S2-R4 VanDerWaalsContact C-N 3.35Å; S2-R4 PolarHBondContact O-N 2.97Å; S2-R4 VanDerWaalsContact O-N 3.13Å; R4-Q6 VanDerWaalsContact C-N 3.34Å; R4-Q6 PolarHBondContact O-N 3.24Å | ||
| 5 | K | 68.9 | Low | 65.2 | Low | 200 Ų | 200 | 175.4 Ų | 175.4 | 87% | 0.87 | 84% | 0.838 | S | S | * | * | trans | -63.4 | 96.3 | 168.7 | -79 | -80.1 | -173.4 | 175.9 | 0 | 107.7 | R3 S7 | R3-K5 PolarHBondContact O-N 3.18Å; R3-K5 VanDerWaalsContact O-N 3.1Å; K5-S7 PolarHBondContact O-N 2.86Å | ||
| 6 | Q | 68.8 | Low | 65.1 | Low | 180 Ų | 180 | 175.7 Ų | 175.7 | 84% | 0.841 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 123.1 | 162.8 | -73.5 | -177.6 | -37.8 | 0 | 0 | 107.1 | R4 N8 | R4-Q6 VanDerWaalsContact C-N 3.34Å; R4-Q6 PolarHBondContact O-N 3.24Å; Q6-N8 PolarHBondContact O-N 2.76Å |
| 7 | S | 64.9 | Low | 64 | Low | 113 Ų | 113 | 169.6 Ų | 169.6 | 79% | 0.79 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 125.4 | 174.2 | 52.1 | 0 | 0 | 0 | 0 | 109 | K5 | K5-S7 PolarHBondContact O-N 2.86Š|
| 8 | N | 65.3 | Low | 63.5 | Low | 148 Ų | 148 | 168.9 Ų | 168.9 | 79% | 0.791 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 119.4 | 179.4 | -152.3 | -6.3 | 0 | 0 | 0 | 108.9 | Q6 R10 | Q6-N8 PolarHBondContact O-N 2.76Å; N8-R10 PolarHBondContact O-N 3.49Å |
| 9 | P | 64.9 | Low | 63.1 | Low | 105 Ų | 105 | 170.3 Ų | 170.3 | 68% | 0.682 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 123 | 179.4 | 25.1 | -31.8 | 0 | 0 | 0 | 109 | Q11 | P9-Q11 PolarHBondContact O-N 2.84Š|
| 10 | R | 67.8 | Low | 62.5 | Low | 238 Ų | 238 | 170.2 Ų | 170.2 | 90% | 0.898 | 84% | 0.843 | S | S | * | * | trans | -62 | 113.9 | 179 | -80.6 | -173.1 | -83.8 | -156.5 | -3.7 | 108.9 | N8 I12 | N8-R10 PolarHBondContact O-N 3.49Å; R10-I12 PolarHBondContact O-N 2.8Å; R10-I12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | Q | 63.4 | Low | 61.9 | Low | 169 Ų | 169 | 166.7 Ų | 166.7 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | trans | -56 | 114.3 | 176.1 | -60 | -150.7 | -31.7 | 0 | 0 | 109.6 | P9 K13 | P9-Q11 PolarHBondContact O-N 2.84Å; Q11-K13 PolarHBondContact O-N 3.43Å | ||
| 12 | I | 64.7 | Low | 61.9 | Low | 131 Ų | 131 | 164.4 Ų | 164.4 | 67% | 0.672 | 82% | 0.818 | S | S | * | * | trans | -77.3 | 81.8 | 170.8 | -47.9 | 174.8 | 0 | 0 | 0 | 106.2 | R10 R14 | R10-I12 PolarHBondContact O-N 2.8Å; R10-I12 VanDerWaalsContact O-N 3.13Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 HydrophobicContact CG2-CG 3.64Å; I12-R14 PolarHBondContact O-N 3.41Å | ||
| 13 | K | 63.1 | Low | 61.2 | Low | 180 Ų | 180 | 168 Ų | 168 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -66.5 | 95.1 | 166.6 | -89.7 | 160.5 | 65.2 | 171.3 | 0 | 107.5 | Q11 | Q11-K13 PolarHBondContact O-N 3.43Š| ||
| 14 | R | 65.3 | Low | 60.3 | Low | 203 Ų | 203 | 162.4 Ų | 162.4 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -92.8 | 101.9 | 163.2 | -45.1 | -176.9 | -165.5 | 134.9 | 3 | 104.9 | I12 L16 | I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 HydrophobicContact CG2-CG 3.64Å; I12-R14 PolarHBondContact O-N 3.41Å; R14-L16 PolarHBondContact O-N 2.76Å | ||
| 15 | S | 64.7 | Low | 59.2 | Low | 120 Ų | 120 | 157.1 Ų | 157.1 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -64.9 | 108.3 | 170.5 | -57.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 16 | L | 63.2 | Low | 57.8 | Low | 180 Ų | 180 | 155.8 Ų | 155.8 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | trans | -84.5 | 114.1 | 166.2 | 176.3 | 69.2 | 0 | 0 | 0 | 106.4 | R14 | R14-L16 PolarHBondContact O-N 2.76Š| ||
| 17 | G | 47.4 | Very low | 57.1 | Low | 73 Ų | 73 | 155.6 Ų | 155.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 146.2 | 93.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 18 | D | 55.7 | Low | 56 | Low | 157 Ų | 157 | 157 Ų | 157 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | -176.6 | 94.1 | 126.9 | -167.6 | 41.4 | 0 | 0 | 0 | 108.7 | |||||
| 19 | M | 55.1 | Low | 54.7 | Low | 194 Ų | 194 | 153.2 Ų | 153.2 | 96% | 0.956 | 80% | 0.8 | S | S | * | * | trans | -149.8 | 72.9 | 165.9 | -159.9 | 169 | 77.3 | 0 | 0 | 108 | ||||
| 20 | E | 51.3 | Low | 53.7 | Low | 169 Ų | 169 | 152.7 Ų | 152.7 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -144.2 | 98.1 | 170.4 | -137.9 | -80.8 | 91.8 | 0 | 0 | 107.2 | ||||
| 21 | A | 49.7 | Very low | 52.7 | Low | 96 Ų | 96 | 146.8 Ų | 146.8 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -169.7 | 97.6 | 155 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 22 | R | 49 | Very low | 51.6 | Low | 200 Ų | 200 | 147.6 Ų | 147.6 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 97.7 | 84 | 138.8 | -151.7 | 172.3 | -174.3 | -152.5 | -0.4 | 117.3 | E24 | R22-E24 HydrophobicContact CG-CB 4.4Å; R22-E24 IonicContact CZ-OE2 3.93Å; R22-E24 IonicContact NE-OE2 3.16Å; R22-E24 PolarHBondContact NE-OE2 2.75Å; R22-E24 VanDerWaalsContact NE-OE2 3.11Å; R22-E24 IonicContact NH2-OE2 3.38Å; R22-E24 PolarHBondContact NH2-OE2 2.85Å | ||
| 23 | E | 52.1 | Low | 50.8 | Low | 194 Ų | 194 | 149.1 Ų | 149.1 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -49.9 | 127.6 | 130.3 | -102.1 | 174 | 111 | 0 | 0 | 109.8 | ||||
| 24 | E | 48.8 | Very low | 50 | Low | 133 Ų | 133 | 148.3 Ų | 148.3 | 62% | 0.621 | 81% | 0.808 | S | S | * | * | trans | -170.3 | 118.7 | 145.1 | -109.4 | -173.2 | 134.6 | 0 | 0 | 110.8 | R22 | R22-E24 HydrophobicContact CG-CB 4.4Å; R22-E24 IonicContact CZ-OE2 3.93Å; R22-E24 IonicContact NE-OE2 3.16Å; R22-E24 PolarHBondContact NE-OE2 2.75Å; R22-E24 VanDerWaalsContact NE-OE2 3.11Å; R22-E24 IonicContact NH2-OE2 3.38Å; R22-E24 PolarHBondContact NH2-OE2 2.85Å | ||
| 25 | V | 50 | Low | 49 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 71% | 0.709 | 81% | 0.812 | S | S | * | * | trans | 60.7 | 134.8 | 156.7 | -92.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 26 | Q | 38.6 | Very low | 48.4 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | cis | -171 | 140.3 | 35.3 | -143.2 | 147 | 76.2 | 0 | 0 | 108.8 | V28 | Q26-V28 PolarHBondContact O-N 2.67Š| ||
| 27 | L | 53.8 | Low | 47.5 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -67.7 | 114.3 | 166.3 | 178.7 | 116.8 | 0 | 0 | 0 | 109.9 | ||||
| 28 | V | 43.3 | Very low | 47.6 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -155.6 | 132.4 | 151.1 | 88.5 | 0 | 0 | 0 | 0 | 113 | Q26 | Q26-V28 PolarHBondContact O-N 2.67Š| ||
| 29 | G | 37.8 | Very low | 47.2 | Very low | 69 Ų | 69 | 145.3 Ų | 145.3 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 94.1 | 92.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 30 | A | 43.6 | Very low | 47.2 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -53.3 | 139.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 31 | S | 46.4 | Very low | 47.1 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 52.6 | 117.6 | 150 | 64 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 32 | H | 39.8 | Very low | 47.8 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | -166 | 146 | 128.4 | -164.4 | -98.1 | 0 | 0 | 0 | 110.9 | |||||
| 33 | M | 47.7 | Very low | 48.1 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | -74 | 171.5 | -169 | -63.8 | -177.5 | 65.5 | 0 | 0 | 115.2 | ||||
| 34 | E | 47.5 | Very low | 48.2 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | 82.1 | 125 | 167.3 | -120.9 | -152.8 | 93.2 | 0 | 0 | 113.9 | ||||
| 35 | Q | 42.9 | Very low | 48.8 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | -152.8 | 131.6 | 81.7 | -85.6 | 166.6 | -35.7 | 0 | 0 | 113.6 | |||||
| 36 | K | 52.8 | Low | 49.2 | Very low | 186 Ų | 186 | 125.6 Ų | 125.6 | 81% | 0.809 | 74% | 0.742 | S | S | * | * | trans | -53.6 | 124.7 | 163.9 | 171.8 | -170.2 | 177.4 | -152.6 | 0 | 111.6 | ||||
| 37 | A | 44.9 | Very low | 50.4 | Low | 95 Ų | 95 | 121.1 Ų | 121.1 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | -128 | 113.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | A39 | A37-A39 PolarHBondContact O-N 2.75Š| ||
| 38 | T | 48 | Very low | 51.2 | Low | 137 Ų | 137 | 115.7 Ų | 115.7 | 84% | 0.84 | 71% | 0.71 | S | S | * | * | trans | -70.7 | 101.3 | 170.5 | 171.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 39 | A | 48.7 | Very low | 52.9 | Low | 68 Ų | 68 | 113.4 Ų | 113.4 | 56% | 0.562 | 69% | 0.693 | S | S | * | * | trans | -124.2 | 151.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | A37 E41 | A37-A39 PolarHBondContact O-N 2.75Å; A39-E41 PolarHBondContact O-N 3.3Å | ||
| 40 | P | 53.8 | Low | 55.3 | Low | 136 Ų | 136 | 112 Ų | 112 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | trans | -65.3 | 81.6 | 161.3 | 29.3 | -31.2 | 0 | 0 | 0 | 106.6 | A42 | P40-A42 PolarHBondContact O-N 2.91Š| ||
| 41 | E | 49.7 | Very low | 57.6 | Low | 125 Ų | 125 | 109.9 Ų | 109.9 | 58% | 0.584 | 64% | 0.643 | S | S | * | * | trans | -57.7 | 109.5 | 171.6 | -173.9 | -133.7 | 140.1 | 0 | 0 | 104.9 | A39 P43 S44 | A39-E41 PolarHBondContact O-N 3.3Å; E41-P43 VanDerWaalsContact O-N 3.16Å; E41-S44 WeakPolarHBondContact OE1-CA 3.41Å; E41-S44 WeakPolarHBondContact OE1-CB 3.49Å; E41-S44 PolarHBondContact OE1-N 3.12Å; E41-S44 PolarHBondContact OE1-OG 3.48Å | ||
| 42 | A | 63.7 | Low | 59.8 | Low | 79 Ų | 79 | 106.9 Ų | 106.9 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | trans | -46.6 | 127.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 106 | P40 S44 | P40-A42 PolarHBondContact O-N 2.91Å; A42-S44 PolarHBondContact O-N 2.7Å | ||
| 43 | P | 57 | Low | 62.4 | Low | 119 Ų | 119 | 103.1 Ų | 103.1 | 77% | 0.773 | 61% | 0.609 | S | S | * | * | trans | -51 | 113.5 | -171.2 | 20.1 | -32.3 | 0 | 0 | 0 | 107.9 | E41 P45 | E41-P43 VanDerWaalsContact O-N 3.16Å; P43-P45 VanDerWaalsContact O-N 3.15Å | ||
| 44 | S | 54.3 | Low | 64.7 | Low | 83 Ų | 83 | 96.7 Ų | 96.7 | 58% | 0.58 | 58% | 0.579 | S | S | * | * | trans | -49 | 128.3 | 172.6 | -76.7 | 0 | 0 | 0 | 0 | 106.6 | E41 A42 | E41-S44 WeakPolarHBondContact OE1-CA 3.41Å; E41-S44 WeakPolarHBondContact OE1-CB 3.49Å; E41-S44 PolarHBondContact OE1-N 3.12Å; E41-S44 PolarHBondContact OE1-OG 3.48Å; A42-S44 PolarHBondContact O-N 2.7Å | ||
| 45 | P | 59.5 | Low | 67 | Low | 95 Ų | 95 | 94 Ų | 94 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | trans | -53.3 | 139 | 177.5 | 24.6 | -33.2 | 0 | 0 | 0 | 106.9 | P43 S47 | P43-P45 VanDerWaalsContact O-N 3.15Å; P45-S47 PolarHBondContact O-N 2.75Å | ||
| 46 | P | 59.4 | Low | 69.5 | Low | 53 Ų | 53 | 89.4 Ų | 89.4 | 34% | 0.344 | 55% | 0.552 | S | S | . | * | trans | -51.2 | 111.7 | -177.1 | 19.3 | -30.5 | 0 | 0 | 0 | 107.6 | A48 L72 S73 | P46-A48 PolarHBondContact O-N 3.11Å; P46-L72 HydrophobicContact CB-CD1 4.21Å; P46-L72 HydrophobicContact CG-CD1 4.46Å; P46-S73 WeakPolarHBondContact CG-O 3.16Å | ||
| 47 | S | 63.3 | Low | 71.6 | Confident | 76 Ų | 76 | 88 Ų | 88 | 53% | 0.531 | 55% | 0.553 | S | S | . | * | trans | -60.8 | 141.5 | 174 | 48 | 0 | 0 | 0 | 0 | 105.5 | P45 D49 | P45-S47 PolarHBondContact O-N 2.75Å; S47-D49 PolarHBondContact O-N 3.38Å | ||
| 48 | A | 70.2 | Confident | 74 | Confident | 63 Ų | 63 | 87 Ų | 87 | 52% | 0.521 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -64.9 | 19.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P46 E50 L51 | P46-A48 PolarHBondContact O-N 3.11Å; A48-E50 PolarHBondContact O-N 2.66Å; A48-E50 VanDerWaalsContact O-N 3.12Å; A48-L51 PolarHBondContact O-N 3.38Å |
| 49 | D | 80.8 | Confident | 76.3 | Confident | 95 Ų | 95 | 85.6 Ų | 85.6 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -57 | -22.4 | 177.7 | -133.3 | -85.4 | 0 | 0 | 0 | 112.2 | S47 L51 R65 | S47-D49 PolarHBondContact O-N 3.38Å; D49-L51 PolarHBondContact O-N 3.4Å; D49-R65 VanDerWaalsContact O-CD 3.28Å; D49-R65 WeakPolarHBondContact O-CD 3.39Å; D49-R65 PolarHBondContact O-NH1 2.86Å; D49-R65 IonicContact OD1-CZ 3.65Å; D49-R65 IonicContact OD1-NH1 2.67Å; D49-R65 PolarHBondContact OD1-NH1 2.83Å; D49-R65 IonicContact OD1-NH2 3.83Å |
| 50 | E | 87.8 | Confident | 78.6 | Confident | 39 Ų | 39 | 93.3 Ų | 93.3 | 18% | 0.182 | 55% | 0.55 | C | S | . | . | G | 310 helix | trans | -69.9 | -13.8 | 173.6 | -58.5 | -176.9 | -147.2 | 0 | 0 | 113.4 | A48 A64 R65 L68 L72 | A48-E50 PolarHBondContact O-N 2.66Å; A48-E50 VanDerWaalsContact O-N 3.12Å; E50-A64 CarbonylContact O-C 3.53Å; E50-A64 WeakPolarHBondContact O-CA 3.2Å; E50-R65 PolarHBondContact O-N 2.79Å; E50-L68 HydrophobicContact CB-CD2 3.9Å; E50-L68 WeakPolarHBondContact OE2-CD2 3.42Å; E50-L72 VanDerWaalsContact CD-CD2 3.5Å; E50-L72 WeakPolarHBondContact OE1-CD1 3.34Å; E50-L72 WeakPolarHBondContact OE2-CD2 3.44Å |
| 51 | L | 91.9 | Very high | 80.6 | Confident | 49 Ų | 49 | 92.4 Ų | 92.4 | 26% | 0.257 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.4 | -176.3 | -57.7 | 179.7 | 0 | 0 | 0 | 110.9 | A48 D49 I62 R63 A64 L68 W74 | A48-L51 PolarHBondContact O-N 3.38Å; D49-L51 PolarHBondContact O-N 3.4Å; L51-I62 HydrophobicContact CB-CG2 3.74Å; L51-I62 HydrophobicContact CD1-CG2 4.16Å; L51-I62 HydrophobicContact CD2-CG2 4.29Å; L51-I62 HydrophobicContact CG-CG2 4.28Å; L51-R63 CarbonylContact C-O 3.55Å; L51-R63 WeakPolarHBondContact CA-O 3.43Å; L51-A64 HydrophobicContact CD2-CB 4.28Å; L51-L68 HydrophobicContact CD2-CD1 4.41Å; L51-L68 HydrophobicContact CD2-CD2 4.18Å; L51-W74 HydrophobicContact CD1-CH2 4.05Å; L51-W74 HydrophobicContact CD1-CZ2 3.9Å; L51-W74 HydrophobicContact CD2-CH2 4.4Å; L51-W74 HydrophobicContact CD2-CZ2 4.34Å; L51-W74 HydrophobicContact CG-CH2 4.46Å; L51-W74 HydrophobicContact CG-CZ2 4.07Å |
| 52 | E | 92.9 | Very high | 82.7 | Confident | 51 Ų | 51 | 92 Ų | 92 | 24% | 0.238 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.4 | 173.3 | 51.5 | 178.8 | -156 | 0 | 0 | 111.1 | V54 I62 R63 R65 | E52-V54 HydrophobicContact CB-CG1 4.37Å; E52-V54 HydrophobicContact CG-CG1 3.86Å; E52-I62 CarbonylContact O-C 3.57Å; E52-I62 WeakPolarHBondContact O-CA 3.2Å; E52-R63 HydrophobicContact CG-CB 3.84Å; E52-R63 HydrophobicContact CG-CG 4.12Å; E52-R63 VanDerWaalsContact CG-O 3.31Å; E52-R63 WeakPolarHBondContact CG-O 3.38Å; E52-R63 PolarHBondContact N-O 3.25Å; E52-R63 PolarHBondContact O-N 3.21Å; E52-R63 WeakPolarHBondContact OE1-CD 3.31Å; E52-R63 WeakPolarHBondContact OE1-CG 3.39Å; E52-R63 IonicContact OE1-CZ 3.39Å; E52-R63 IonicContact OE1-NE 3.49Å; E52-R63 PolarHBondContact OE1-NE 3.42Å; E52-R63 IonicContact OE1-NH1 2.76Å; E52-R63 PolarHBondContact OE1-NH1 3.06Å; E52-R65 HydrophobicContact CB-CG 3.53Å; E52-R65 HydrophobicContact CG-CG 3.61Å |
| 53 | P | 93.4 | Very high | 84.2 | Confident | 107 Ų | 107 | 95.1 Ų | 95.1 | 70% | 0.695 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 128.3 | 163.5 | 29.8 | -30.8 | 0 | 0 | 0 | 109.8 | R61 I62 | P53-R61 WeakPolarHBondContact CA-O 3.36Å; P53-I62 HydrophobicContact CB-CD1 4Å |
| 54 | V | 95.4 | Very high | 85.9 | Confident | 28 Ų | 28 | 91.4 Ų | 91.4 | 17% | 0.17 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 150.5 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 110.3 | E52 Q56 R61 R63 | E52-V54 HydrophobicContact CB-CG1 4.37Å; E52-V54 HydrophobicContact CG-CG1 3.86Å; V54-Q56 HydrophobicContact CG2-CG 4.27Å; V54-R61 HydrophobicContact CG2-CB 3.82Å; V54-R61 PolarHBondContact N-O 3.13Å; V54-R61 PolarHBondContact O-N 3.22Å; V54-R61 VanDerWaalsContact O-O 3.14Å; V54-R63 HydrophobicContact CG1-CB 4.34Å; V54-R63 HydrophobicContact CG2-CB 4.29Å |
| 55 | V | 96.1 | Very high | 87.7 | Confident | 106 Ų | 106 | 93.8 Ų | 93.8 | 64% | 0.642 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.1 | 170.1 | -179.5 | 0 | 0 | 0 | 0 | 108 | Q59 R60 | V55-Q59 WeakPolarHBondContact CA-O 2.91Å; V55-R60 HydrophobicContact CG2-CG 4.35Å |
| 56 | Q | 96.2 | Very high | 89.2 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.8 | 178.2 | -66.8 | -179.8 | -20.1 | 0 | 0 | 108.3 | V54 G58 Q59 | V54-Q56 HydrophobicContact CG2-CG 4.27Å; Q56-G58 PolarHBondContact O-N 3.44Å; Q56-Q59 PolarHBondContact N-O 3.41Å; Q56-Q59 WeakPolarHBondContact O-CA 3.28Å; Q56-Q59 WeakPolarHBondContact O-CB 3.45Å; Q56-Q59 PolarHBondContact O-N 2.8Å |
| 57 | D | 95.8 | Very high | 90.8 | Very high | 157 Ų | 157 | 98.2 Ų | 98.2 | 84% | 0.84 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 35.4 | -177.9 | -51.2 | -61.4 | 0 | 0 | 0 | 113.4 | Q59 | D57-Q59 PolarHBondContact O-N 2.71Š|
| 58 | G | 96 | Very high | 92.1 | Very high | 72 Ų | 72 | 98.5 Ų | 98.5 | 74% | 0.742 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 0.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q56 | Q56-G58 PolarHBondContact O-N 3.44Š|
| 59 | Q | 96.8 | Very high | 93.1 | Very high | 108 Ų | 108 | 98.6 Ų | 98.6 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 134 | 177.2 | -67 | 178.5 | -16.2 | 0 | 0 | 111.7 | V55 Q56 D57 | V55-Q59 WeakPolarHBondContact CA-O 2.91Å; Q56-Q59 PolarHBondContact N-O 3.41Å; Q56-Q59 WeakPolarHBondContact O-CA 3.28Å; Q56-Q59 WeakPolarHBondContact O-CB 3.45Å; Q56-Q59 PolarHBondContact O-N 2.8Å; D57-Q59 PolarHBondContact O-N 2.71Å |
| 60 | R | 96.8 | Very high | 93.7 | Very high | 231 Ų | 231 | 101.4 Ų | 101.4 | 87% | 0.872 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 123 | 171.7 | -63.7 | 173 | 68.3 | -146.5 | 2.3 | 109.5 | V55 | V55-R60 HydrophobicContact CG2-CG 4.35Å |
| 61 | R | 95.6 | Very high | 94 | Very high | 117 Ų | 117 | 103 Ų | 103 | 44% | 0.442 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.1 | 164.9 | -179.3 | -62.6 | 177.6 | 177.4 | -120 | -4.3 | 109.7 | P53 V54 | P53-R61 WeakPolarHBondContact CA-O 3.36Å; V54-R61 HydrophobicContact CG2-CB 3.82Å; V54-R61 PolarHBondContact N-O 3.13Å; V54-R61 PolarHBondContact O-N 3.22Å; V54-R61 VanDerWaalsContact O-O 3.14Å |
| 62 | I | 94.1 | Very high | 93.9 | Very high | 115 Ų | 115 | 103.1 Ų | 103.1 | 59% | 0.59 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.2 | 169.9 | -54.9 | -60.1 | 0 | 0 | 0 | 107.4 | L51 E52 P53 | L51-I62 HydrophobicContact CB-CG2 3.74Å; L51-I62 HydrophobicContact CD1-CG2 4.16Å; L51-I62 HydrophobicContact CD2-CG2 4.29Å; L51-I62 HydrophobicContact CG-CG2 4.28Å; E52-I62 CarbonylContact O-C 3.57Å; E52-I62 WeakPolarHBondContact O-CA 3.2Å; P53-I62 HydrophobicContact CB-CD1 4Å |
| 63 | R | 94.4 | Very high | 93.8 | Very high | 146 Ų | 146 | 104.8 Ų | 104.8 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 150.1 | 174.3 | 165.7 | 171.2 | 169.1 | -130.1 | 6.9 | 109.2 | L51 E52 V54 | L51-R63 CarbonylContact C-O 3.55Å; L51-R63 WeakPolarHBondContact CA-O 3.43Å; E52-R63 HydrophobicContact CG-CB 3.84Å; E52-R63 HydrophobicContact CG-CG 4.12Å; E52-R63 VanDerWaalsContact CG-O 3.31Å; E52-R63 WeakPolarHBondContact CG-O 3.38Å; E52-R63 PolarHBondContact N-O 3.25Å; E52-R63 PolarHBondContact O-N 3.21Å; E52-R63 WeakPolarHBondContact OE1-CD 3.31Å; E52-R63 WeakPolarHBondContact OE1-CG 3.39Å; E52-R63 IonicContact OE1-CZ 3.39Å; E52-R63 IonicContact OE1-NE 3.49Å; E52-R63 PolarHBondContact OE1-NE 3.42Å; E52-R63 IonicContact OE1-NH1 2.76Å; E52-R63 PolarHBondContact OE1-NH1 3.06Å; V54-R63 HydrophobicContact CG1-CB 4.34Å; V54-R63 HydrophobicContact CG2-CB 4.29Å |
| 64 | A | 93.4 | Very high | 93.5 | Very high | 41 Ų | 41 | 104.8 Ų | 104.8 | 34% | 0.339 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78 | 128 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | E50 L51 L66 L68 | E50-A64 CarbonylContact O-C 3.53Å; E50-A64 WeakPolarHBondContact O-CA 3.2Å; L51-A64 HydrophobicContact CD2-CB 4.28Å; A64-L66 WeakPolarHBondContact CB-O 3.07Å; A64-L68 HydrophobicContact CB-CD1 4.37Å; A64-L68 HydrophobicContact CB-CD2 4.41Å; A64-L68 HydrophobicContact CB-CG 4.2Å |
| 65 | R | 92.8 | Very high | 93.1 | Very high | 133 Ų | 133 | 105.6 Ų | 105.6 | 50% | 0.502 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -76.4 | -32.7 | 173.1 | -69.3 | 174.7 | 61.7 | -154.5 | 3.6 | 111.5 | D49 E50 E52 | D49-R65 VanDerWaalsContact O-CD 3.28Å; D49-R65 WeakPolarHBondContact O-CD 3.39Å; D49-R65 PolarHBondContact O-NH1 2.86Å; D49-R65 IonicContact OD1-CZ 3.65Å; D49-R65 IonicContact OD1-NH1 2.67Å; D49-R65 PolarHBondContact OD1-NH1 2.83Å; D49-R65 IonicContact OD1-NH2 3.83Å; E50-R65 PolarHBondContact O-N 2.79Å; E52-R65 HydrophobicContact CB-CG 3.53Å; E52-R65 HydrophobicContact CG-CG 3.61Å |
| 66 | L | 89.7 | Confident | 92.8 | Very high | 118 Ų | 118 | 106 Ų | 106 | 62% | 0.618 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -129.7 | 169 | -177.3 | -58.8 | 172.6 | 0 | 0 | 0 | 109.8 | A64 L68 | A64-L66 WeakPolarHBondContact CB-O 3.07Å; L66-L68 PolarHBondContact O-N 3.12Å |
| 67 | S | 92.3 | Very high | 92.4 | Very high | 123 Ų | 123 | 109.3 Ų | 109.3 | 86% | 0.86 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 125.3 | 172.7 | -65.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 68 | L | 91.9 | Very high | 92.2 | Very high | 81 Ų | 81 | 109.9 Ų | 109.9 | 42% | 0.424 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 123.4 | 179.3 | -57.3 | 177.6 | 0 | 0 | 0 | 110 | E50 L51 A64 L66 L72 W74 | E50-L68 HydrophobicContact CB-CD2 3.9Å; E50-L68 WeakPolarHBondContact OE2-CD2 3.42Å; L51-L68 HydrophobicContact CD2-CD1 4.41Å; L51-L68 HydrophobicContact CD2-CD2 4.18Å; A64-L68 HydrophobicContact CB-CD1 4.37Å; A64-L68 HydrophobicContact CB-CD2 4.41Å; A64-L68 HydrophobicContact CB-CG 4.2Å; L66-L68 PolarHBondContact O-N 3.12Å; L68-L72 HydrophobicContact CD2-CD2 4.05Å; L68-W74 HydrophobicContact CD1-CH2 4.09Å; L68-W74 HydrophobicContact CD2-CH2 4.11Å; L68-W74 HydrophobicContact CD2-CZ2 3.97Å |
| 69 | A | 91.1 | Very high | 92 | Very high | 66 Ų | 66 | 109.4 Ų | 109.4 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 143.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G71 L72 | A69-G71 PolarHBondContact O-N 2.95Å; A69-L72 HydrophobicContact CB-CB 4.45Å; A69-L72 WeakPolarHBondContact O-CB 3.48Å; A69-L72 PolarHBondContact O-N 3.32Å; A69-L72 VanDerWaalsContact O-N 3.13Å |
| 70 | T | 94.1 | Very high | 91.8 | Very high | 153 Ų | 153 | 109.2 Ų | 109.2 | 94% | 0.939 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 131.5 | 171.8 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | L72 | T70-L72 VanDerWaalsContact C-N 3.3Š|
| 71 | G | 92.5 | Very high | 91.5 | Very high | 74 Ų | 74 | 103.9 Ų | 103.9 | 76% | 0.763 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83 | 2.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A69 S73 | A69-G71 PolarHBondContact O-N 2.95Å; G71-S73 PolarHBondContact O-N 3.22Å |
| 72 | L | 90.8 | Very high | 91.3 | Very high | 51 Ų | 51 | 107.1 Ų | 107.1 | 27% | 0.267 | 62% | 0.621 | S | S | . | * | trans | -61.1 | 131.1 | 167 | -179.4 | 76.5 | 0 | 0 | 0 | 109.9 | P46 E50 L68 A69 T70 W74 | P46-L72 HydrophobicContact CB-CD1 4.21Å; P46-L72 HydrophobicContact CG-CD1 4.46Å; E50-L72 VanDerWaalsContact CD-CD2 3.5Å; E50-L72 WeakPolarHBondContact OE1-CD1 3.34Å; E50-L72 WeakPolarHBondContact OE2-CD2 3.44Å; L68-L72 HydrophobicContact CD2-CD2 4.05Å; A69-L72 HydrophobicContact CB-CB 4.45Å; A69-L72 WeakPolarHBondContact O-CB 3.48Å; A69-L72 PolarHBondContact O-N 3.32Å; A69-L72 VanDerWaalsContact O-N 3.13Å; T70-L72 VanDerWaalsContact C-N 3.3Å; L72-W74 HydrophobicContact CD2-CH2 3.97Å; L72-W74 HydrophobicContact CD2-CZ2 3.43Å; L72-W74 VanDerWaalsContact CD2-CZ2 3.43Å; L72-W74 HydrophobicContact CG-CZ2 4.38Å | ||
| 73 | S | 90.4 | Very high | 91.1 | Very high | 86 Ų | 86 | 107.6 Ų | 107.6 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | trans | -131.6 | 130.1 | 178.6 | 62.3 | 0 | 0 | 0 | 0 | 110.4 | P46 G71 | P46-S73 WeakPolarHBondContact CG-O 3.16Å; G71-S73 PolarHBondContact O-N 3.22Å | ||
| 74 | W | 88.1 | Confident | 90.7 | Very high | 106 Ų | 106 | 108.4 Ų | 108.4 | 40% | 0.402 | 63% | 0.632 | S | S | . | * | trans | -85.5 | 151.9 | 167.3 | -59.2 | -74.1 | 0 | 0 | 0 | 110.4 | L51 L68 L72 | L51-W74 HydrophobicContact CD1-CH2 4.05Å; L51-W74 HydrophobicContact CD1-CZ2 3.9Å; L51-W74 HydrophobicContact CD2-CH2 4.4Å; L51-W74 HydrophobicContact CD2-CZ2 4.34Å; L51-W74 HydrophobicContact CG-CH2 4.46Å; L51-W74 HydrophobicContact CG-CZ2 4.07Å; L68-W74 HydrophobicContact CD1-CH2 4.09Å; L68-W74 HydrophobicContact CD2-CH2 4.11Å; L68-W74 HydrophobicContact CD2-CZ2 3.97Å; L72-W74 HydrophobicContact CD2-CH2 3.97Å; L72-W74 HydrophobicContact CD2-CZ2 3.43Å; L72-W74 VanDerWaalsContact CD2-CZ2 3.43Å; L72-W74 HydrophobicContact CG-CZ2 4.38Å | ||
| 75 | G | 86.6 | Confident | 90 | Very high | 46 Ų | 46 | 110.3 Ų | 110.3 | 47% | 0.474 | 65% | 0.648 | S | S | . | * | trans | -58.9 | -179.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | F77 | G75-F77 PolarHBondContact O-N 2.64Å; G75-F77 VanDerWaalsContact O-N 3.12Å | ||
| 76 | P | 89.8 | Confident | 88.7 | Confident | 113 Ų | 113 | 110.3 Ų | 110.3 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | trans | -57.1 | 122.9 | -175.5 | 24.1 | -33.6 | 0 | 0 | 0 | 110.9 | H78 | P76-H78 PolarHBondContact O-N 2.68Å; P76-H78 PolarHBondContact O-ND1 3.21Å | ||
| 77 | F | 88.3 | Confident | 87.2 | Confident | 158 Ų | 158 | 106.9 Ų | 106.9 | 69% | 0.693 | 65% | 0.654 | S | S | * | * | trans | -69.4 | 122.6 | 174.3 | 174.3 | -107.3 | 0 | 0 | 0 | 109.5 | G75 G79 V81 | G75-F77 PolarHBondContact O-N 2.64Å; G75-F77 VanDerWaalsContact O-N 3.12Å; F77-G79 PolarHBondContact O-N 3.05Å; F77-V81 HydrophobicContact CD1-CG2 4.42Å | ||
| 78 | H | 90.1 | Very high | 85.6 | Confident | 170 Ų | 170 | 105.5 Ų | 105.5 | 79% | 0.787 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -82.2 | 101.2 | 176.7 | -69.7 | 55.1 | 0 | 0 | 0 | 108.8 | P76 | P76-H78 PolarHBondContact O-N 2.68Å; P76-H78 PolarHBondContact O-ND1 3.21Å |
| 79 | G | 92.4 | Very high | 83.6 | Confident | 61 Ų | 61 | 110 Ų | 110 | 63% | 0.629 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 157.2 | -178.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F77 | F77-G79 PolarHBondContact O-N 3.05Š|
| 80 | S | 93 | Very high | 81.8 | Confident | 105 Ų | 105 | 114.9 Ų | 114.9 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | trans | -111.3 | 137.8 | 173.4 | 59.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 81 | V | 90.6 | Very high | 79.7 | Confident | 119 Ų | 119 | 111.9 Ų | 111.9 | 72% | 0.721 | 66% | 0.655 | S | S | * | * | trans | -102.2 | 112.1 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | F77 | F77-V81 HydrophobicContact CD1-CG2 4.42Š| ||
| 82 | Q | 90.4 | Very high | 77.9 | Confident | 185 Ų | 185 | 112 Ų | 112 | 86% | 0.864 | 64% | 0.636 | S | S | * | * | trans | -87.9 | 112.2 | 173.7 | -66.4 | -171 | 81.5 | 0 | 0 | 109.1 | ||||
| 83 | T | 90.6 | Very high | 76.2 | Confident | 125 Ų | 125 | 114.9 Ų | 114.9 | 77% | 0.767 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 123.2 | 172.5 | -56.2 | 0 | 0 | 0 | 0 | 108.6 | ||
| 84 | R | 85.3 | Confident | 74.3 | Confident | 163 Ų | 163 | 119.3 Ų | 119.3 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 131.8 | 171.7 | -168.9 | 168.2 | -178.2 | -82.3 | 3.9 | 108.4 | S86 P88 | R84-S86 PolarHBondContact O-N 2.92Å; R84-P88 VanDerWaalsContact NH1-N 3.18Å |
| 85 | A | 79.6 | Confident | 72.9 | Confident | 81 Ų | 81 | 123.5 Ų | 123.5 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -52 | 141 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S87 | A85-S87 PolarHBondContact O-N 2.96Š|
| 86 | S | 65.7 | Low | 71.6 | Confident | 133 Ų | 133 | 130.9 Ų | 130.9 | 93% | 0.93 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -67.9 | 55.3 | -174.2 | -47.2 | 0 | 0 | 0 | 0 | 113.2 | R84 | R84-S86 PolarHBondContact O-N 2.92Š|
| 87 | S | 58.5 | Low | 69.9 | Low | 46 Ų | 46 | 133.6 Ų | 133.6 | 32% | 0.322 | 71% | 0.714 | S | S | . | * | trans | -174.9 | 118.2 | 151.2 | -168.1 | 0 | 0 | 0 | 0 | 110 | A85 R89 | A85-S87 PolarHBondContact O-N 2.96Å; S87-R89 PolarHBondContact O-N 3.34Å; S87-R89 WeakPolarHBondContact OG-CB 3.48Å; S87-R89 PolarHBondContact OG-N 2.95Å | ||
| 88 | P | 58 | Low | 68.7 | Low | 93 Ų | 93 | 135.6 Ų | 135.6 | 60% | 0.604 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -62.4 | -16.9 | 165.2 | -8.7 | 19.6 | 0 | 0 | 0 | 114.7 | R84 Q90 | R84-P88 VanDerWaalsContact NH1-N 3.18Å; P88-Q90 VanDerWaalsContact C-N 3.35Å |
| 89 | R | 50.1 | Low | 67.2 | Low | 177 Ų | 177 | 135 Ų | 135 | 67% | 0.668 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -85.5 | -2.8 | -171.2 | -164.1 | 173.4 | 172.6 | 173.9 | -1.6 | 114 | S87 A91 E92 | S87-R89 PolarHBondContact O-N 3.34Å; S87-R89 WeakPolarHBondContact OG-CB 3.48Å; S87-R89 PolarHBondContact OG-N 2.95Å; R89-A91 PolarHBondContact O-N 2.82Å; R89-E92 HydrophobicContact CG-CG 4.49Å; R89-E92 IonicContact NE-OE2 2.66Å; R89-E92 PolarHBondContact NE-OE2 3.04Å; R89-E92 IonicContact NH2-OE2 3.4Å; R89-E92 PolarHBondContact O-N 3.04Å |
| 90 | Q | 52.9 | Low | 65.6 | Low | 168 Ų | 168 | 138.4 Ų | 138.4 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -83.9 | 3.3 | 176.1 | -63.3 | -65.3 | -39.3 | 0 | 0 | 113.3 | P88 E92 | P88-Q90 VanDerWaalsContact C-N 3.35Å; Q90-E92 VanDerWaalsContact C-N 3.32Å |
| 91 | A | 49.5 | Very low | 63.5 | Low | 89 Ų | 89 | 138.9 Ų | 138.9 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -95.2 | 26.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R89 P93 | R89-A91 PolarHBondContact O-N 2.82Å; A91-P93 WeakPolarHBondContact O-CD 3.17Å |
| 92 | E | 55.8 | Low | 62 | Low | 76 Ų | 76 | 139.8 Ų | 139.8 | 36% | 0.355 | 72% | 0.718 | S | S | . | * | S | Bend | trans | -74.5 | 121.1 | 161.9 | -93.8 | -160.8 | 100.6 | 0 | 0 | 108.4 | R89 Q90 M94 R95 | R89-E92 HydrophobicContact CG-CG 4.49Å; R89-E92 IonicContact NE-OE2 2.66Å; R89-E92 PolarHBondContact NE-OE2 3.04Å; R89-E92 IonicContact NH2-OE2 3.4Å; R89-E92 PolarHBondContact O-N 3.04Å; Q90-E92 VanDerWaalsContact C-N 3.32Å; E92-M94 PolarHBondContact O-N 2.92Å; E92-R95 IonicContact OE1-CZ 3.35Å; E92-R95 IonicContact OE1-NH1 3.11Å; E92-R95 PolarHBondContact OE1-NH1 3.13Å; E92-R95 IonicContact OE1-NH2 2.75Å; E92-R95 PolarHBondContact OE1-NH2 3.24Å |
| 93 | P | 55.2 | Low | 60.6 | Low | 112 Ų | 112 | 139 Ų | 139 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -57.6 | 121.2 | 168.7 | 24.6 | -31.2 | 0 | 0 | 0 | 107.2 | A91 R95 | A91-P93 WeakPolarHBondContact O-CD 3.17Å; P93-R95 PolarHBondContact O-N 2.95Å | ||
| 94 | M | 50 | Low | 58.9 | Low | 180 Ų | 180 | 138.4 Ų | 138.4 | 89% | 0.887 | 71% | 0.712 | S | S | * | * | trans | -40.2 | 99.5 | -178.1 | -65.5 | 166.2 | 61.8 | 0 | 0 | 110.7 | E92 K96 | E92-M94 PolarHBondContact O-N 2.92Å; M94-K96 PolarHBondContact O-N 3.03Å | ||
| 95 | R | 58.9 | Low | 57.6 | Low | 194 Ų | 194 | 139 Ų | 139 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | trans | -65.5 | 111.2 | 164.8 | -68 | -170.1 | -178.1 | 113.4 | 6.5 | 105 | E92 P93 L97 | E92-R95 IonicContact OE1-CZ 3.35Å; E92-R95 IonicContact OE1-NH1 3.11Å; E92-R95 PolarHBondContact OE1-NH1 3.13Å; E92-R95 IonicContact OE1-NH2 2.75Å; E92-R95 PolarHBondContact OE1-NH2 3.24Å; P93-R95 PolarHBondContact O-N 2.95Å; R95-L97 PolarHBondContact O-N 3.23Å | ||
| 96 | K | 59.1 | Low | 56.7 | Low | 200 Ų | 200 | 138.7 Ų | 138.7 | 87% | 0.87 | 72% | 0.723 | S | S | * | * | trans | -55.4 | 99.6 | 176.9 | -67.5 | -175 | -177.2 | -172.6 | 0 | 108.2 | M94 R98 | M94-K96 PolarHBondContact O-N 3.03Å; K96-R98 PolarHBondContact O-N 3.05Å | ||
| 97 | L | 53.6 | Low | 56.3 | Low | 171 Ų | 171 | 141.5 Ų | 141.5 | 90% | 0.895 | 72% | 0.722 | S | S | * | * | trans | -63.7 | 101.4 | 168.4 | -71 | 171.4 | 0 | 0 | 0 | 106.3 | R95 L99 | R95-L97 PolarHBondContact O-N 3.23Å; L97-L99 PolarHBondContact O-N 3.21Å | ||
| 98 | R | 62.7 | Low | 56.7 | Low | 199 Ų | 199 | 146.5 Ų | 146.5 | 75% | 0.751 | 74% | 0.744 | S | S | * | * | trans | -71.4 | 118.6 | 165.9 | -74.5 | -140.6 | -178.1 | -159.4 | 4.5 | 107 | K96 Q100 | K96-R98 PolarHBondContact O-N 3.05Å; R98-Q100 VanDerWaalsContact C-N 3.29Å; R98-Q100 HydrophobicContact CB-CG 4.18Å; R98-Q100 PolarHBondContact O-N 3.29Å | ||
| 99 | L | 59.5 | Low | 56.7 | Low | 159 Ų | 159 | 147.5 Ų | 147.5 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -68.4 | 89 | 171.3 | -179.2 | 63.2 | 0 | 0 | 0 | 107.9 | L97 | L97-L99 PolarHBondContact O-N 3.21Š| ||
| 100 | Q | 57.9 | Low | 57.2 | Low | 132 Ų | 132 | 150.7 Ų | 150.7 | 62% | 0.617 | 76% | 0.762 | S | S | * | * | trans | -96.4 | 116.6 | 172.7 | -35.4 | -67.2 | 52.5 | 0 | 0 | 108.5 | R98 | R98-Q100 VanDerWaalsContact C-N 3.29Å; R98-Q100 HydrophobicContact CB-CG 4.18Å; R98-Q100 PolarHBondContact O-N 3.29Å | ||
| 101 | D | 50.4 | Low | 57.8 | Low | 114 Ų | 114 | 149.5 Ų | 149.5 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | trans | 70.9 | 96.8 | 153.3 | -67.1 | -66.5 | 0 | 0 | 0 | 120.1 | K103 | D101-K103 PolarHBondContact O-N 3Å; D101-K103 IonicContact OD1-NZ 3.77Å | ||
| 102 | V | 57.8 | Low | 58.6 | Low | 139 Ų | 139 | 154.6 Ų | 154.6 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | trans | -63.8 | 43.8 | 161.3 | -71.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 103 | K | 61.2 | Low | 58.9 | Low | 168 Ų | 168 | 159.3 Ų | 159.3 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | trans | -117.4 | 115.3 | -178.6 | -62.2 | 178.1 | -169.3 | 168.2 | 0 | 110.6 | D101 | D101-K103 PolarHBondContact O-N 3Å; D101-K103 IonicContact OD1-NZ 3.77Å | ||
| 104 | S | 55.2 | Low | 59 | Low | 112 Ų | 112 | 162.9 Ų | 162.9 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 94.4 | 61.6 | 169.2 | -150.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 105 | I | 58.2 | Low | 59.6 | Low | 175 Ų | 175 | 165.6 Ų | 165.6 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -85.5 | 97.7 | 141.5 | -61.6 | 173.7 | 0 | 0 | 0 | 105 | Q107 | I105-Q107 PolarHBondContact O-N 3.22Š| ||
| 106 | A | 59.8 | Low | 59.6 | Low | 75 Ų | 75 | 164.6 Ų | 164.6 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | trans | -55.5 | 124.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109 | I108 | A106-I108 PolarHBondContact O-N 3.4Š| ||
| 107 | Q | 58.7 | Low | 59.4 | Low | 192 Ų | 192 | 167 Ų | 167 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -67.3 | 101.5 | -177.5 | -159.6 | 170.9 | 33.5 | 0 | 0 | 108.7 | I105 P109 | I105-Q107 PolarHBondContact O-N 3.22Å; Q107-P109 WeakPolarHBondContact O-CD 3.37Å | ||
| 108 | I | 67.3 | Low | 59.7 | Low | 152 Ų | 152 | 166.8 Ų | 166.8 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -64.3 | 120.4 | 175 | -58.9 | 171.9 | 0 | 0 | 0 | 107.5 | A106 R110 | A106-I108 PolarHBondContact O-N 3.4Å; I108-R110 PolarHBondContact O-N 3.05Å | ||
| 109 | P | 56.8 | Low | 59.5 | Low | 113 Ų | 113 | 165.1 Ų | 165.1 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -68.6 | 122.6 | 178.5 | 25.2 | -29.4 | 0 | 0 | 0 | 109.3 | Q107 I111 | Q107-P109 WeakPolarHBondContact O-CD 3.37Å; P109-I111 PolarHBondContact O-N 3.32Å | ||
| 110 | R | 60.6 | Low | 59.5 | Low | 245 Ų | 245 | 165.4 Ų | 165.4 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -60.5 | 108.7 | 172.3 | -89.6 | -175.4 | 148.4 | 123.5 | -3.3 | 109.1 | I108 K112 | I108-R110 PolarHBondContact O-N 3.05Å; R110-K112 PolarHBondContact O-N 2.93Å | ||
| 111 | I | 66.7 | Low | 59.6 | Low | 142 Ų | 142 | 167.4 Ų | 167.4 | 73% | 0.728 | 82% | 0.817 | S | S | * | * | trans | -63 | 127 | 164.8 | 53.1 | 169.8 | 0 | 0 | 0 | 108.6 | P109 Q113 | P109-I111 PolarHBondContact O-N 3.32Å; I111-Q113 PolarHBondContact O-N 3.1Å | ||
| 112 | K | 65.7 | Low | 60.2 | Low | 197 Ų | 197 | 170.8 Ų | 170.8 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | trans | -70.9 | 111.9 | 174.6 | -65 | -168.2 | -175.4 | -173.2 | 0 | 107.5 | R110 Q114 | R110-K112 PolarHBondContact O-N 2.93Å; K112-Q114 PolarHBondContact O-N 3.13Å | ||
| 113 | Q | 62.8 | Low | 60.4 | Low | 175 Ų | 175 | 172.9 Ų | 172.9 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -61.5 | 105.2 | 167.4 | -70.9 | -70.5 | 85.2 | 0 | 0 | 107.7 | I111 R115 | I111-Q113 PolarHBondContact O-N 3.1Å; Q113-R115 PolarHBondContact O-N 3.15Å | ||
| 114 | Q | 56.5 | Low | 60.3 | Low | 186 Ų | 186 | 173.2 Ų | 173.2 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | trans | -67.1 | 120.5 | 168.9 | -78.4 | -172.5 | -29.4 | 0 | 0 | 107.9 | K112 E116 | K112-Q114 PolarHBondContact O-N 3.13Å; Q114-E116 PolarHBondContact O-N 3.3Å; Q114-E116 VanDerWaalsContact O-N 3.15Å | ||
| 115 | R | 61.4 | Low | 60.7 | Low | 237 Ų | 237 | 177.9 Ų | 177.9 | 89% | 0.894 | 84% | 0.84 | S | S | * | * | trans | -61.8 | 107 | 168.1 | 179.2 | -177.1 | -176.9 | -174.5 | 1.7 | 107.8 | Q113 | Q113-R115 PolarHBondContact O-N 3.15Š| ||
| 116 | E | 60.8 | Low | 60.9 | Low | 174 Ų | 174 | 178.2 Ų | 178.2 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -96.2 | 113.6 | 164 | -163.1 | 169.4 | 118.9 | 0 | 0 | 109.1 | Q114 | Q114-E116 PolarHBondContact O-N 3.3Å; Q114-E116 VanDerWaalsContact O-N 3.15Å | ||
| 117 | K | 54.2 | Low | 61 | Low | 250 Ų | 250 | 187.5 Ų | 187.5 | 100% | 1.087 | 86% | 0.855 | S | S | * | * | trans | 47.9 | 0 | 154.6 | -63.8 | 176.5 | -177.8 | 175.3 | 0 | 119 |
Retrieved 117 of 117 residues in 52.1 ms
(Link to these results)