| 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 | S | 53.8 | Low | 70.4 | Confident | 166 Ų | 166 | 137.1 Ų | 137.1 | 100% | 1.161 | 79% | 0.786 | S | S | * | * | 0 | 133.4 | 0 | 33.6 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 2 | E | 61.5 | Low | 70.6 | Confident | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | cis | -174 | 127.4 | 4.9 | -173.4 | 174.8 | 119.5 | 0 | 0 | 102.7 | ||||
| 3 | S | 58.4 | Low | 70.9 | Confident | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -148.6 | 66.5 | 158.3 | 9.1 | 0 | 0 | 0 | 0 | 106.5 | V5 | S3-V5 VanDerWaalsContact C-N 3.26Å; S3-V5 PolarHBondContact O-N 3.32Å; S3-V5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | D | 66.3 | Low | 70.7 | Confident | 146 Ų | 146 | 133.7 Ų | 133.7 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -71.3 | 92 | 161.5 | -151.8 | -77.7 | 0 | 0 | 0 | 105.6 | P6 | D4-P6 VanDerWaalsContact O-CD 3.29Å; D4-P6 WeakPolarHBondContact O-CD 3.29Å | ||
| 5 | V | 77.6 | Confident | 71.1 | Confident | 112 Ų | 112 | 133.8 Ų | 133.8 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | trans | -75.4 | 114.7 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 106.2 | S3 I7 | S3-V5 VanDerWaalsContact C-N 3.26Å; S3-V5 PolarHBondContact O-N 3.32Å; S3-V5 VanDerWaalsContact O-N 3.09Å; V5-I7 PolarHBondContact O-N 3.07Å | ||
| 6 | P | 71.7 | Confident | 71 | Confident | 113 Ų | 113 | 132.4 Ų | 132.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -64.7 | 115.5 | 179.9 | 25.5 | -32.1 | 0 | 0 | 0 | 108.8 | D4 D8 | D4-P6 VanDerWaalsContact O-CD 3.29Å; D4-P6 WeakPolarHBondContact O-CD 3.29Å; P6-D8 PolarHBondContact O-N 3.09Å | ||
| 7 | I | 76.2 | Confident | 71 | Confident | 148 Ų | 148 | 134.8 Ų | 134.8 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -73.1 | 115 | 173.2 | -62.7 | 171.4 | 0 | 0 | 0 | 106.7 | V5 V9 | V5-I7 PolarHBondContact O-N 3.07Å; I7-V9 HydrophobicContact CG2-CG2 4.44Å; I7-V9 PolarHBondContact O-N 3.16Å; I7-V9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | D | 78.7 | Confident | 70.9 | Confident | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -71 | 103.9 | 172.6 | -171 | 20.4 | 0 | 0 | 0 | 108.8 | P6 E10 | P6-D8 PolarHBondContact O-N 3.09Å; D8-E10 PolarHBondContact O-N 3.12Å; D8-E10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | V | 77.2 | Confident | 71 | Confident | 110 Ų | 110 | 134.7 Ų | 134.7 | 67% | 0.667 | 78% | 0.782 | S | S | * | * | trans | -82.7 | 89.2 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | I7 T11 | I7-V9 HydrophobicContact CG2-CG2 4.44Å; I7-V9 PolarHBondContact O-N 3.16Å; I7-V9 VanDerWaalsContact O-N 3.12Å; V9-T11 PolarHBondContact O-N 3.05Å | ||
| 10 | E | 76.6 | Confident | 71.2 | Confident | 165 Ų | 165 | 134.8 Ų | 134.8 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | trans | -60.6 | 113.1 | 167.5 | -78 | -164.8 | 142.4 | 0 | 0 | 108.8 | D8 V12 | D8-E10 PolarHBondContact O-N 3.12Å; D8-E10 VanDerWaalsContact O-N 3.16Å; E10-V12 PolarHBondContact O-N 2.9Å | ||
| 11 | T | 76.2 | Confident | 72 | Confident | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -74.8 | 109.6 | 179.1 | -52.3 | 0 | 0 | 0 | 0 | 108 | V9 T13 | V9-T11 PolarHBondContact O-N 3.05Å; T11-T13 PolarHBondContact O-N 3.17Å | ||
| 12 | V | 73.2 | Confident | 73.5 | Confident | 133 Ų | 133 | 128.8 Ų | 128.8 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | trans | -66 | 98.5 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | E10 S14 | E10-V12 PolarHBondContact O-N 2.9Å; V12-S14 PolarHBondContact O-N 3.08Å; V12-S14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | T | 74.1 | Confident | 74.9 | Confident | 130 Ų | 130 | 127.5 Ų | 127.5 | 80% | 0.798 | 72% | 0.717 | S | S | * | * | trans | -66.9 | 106.9 | 170.5 | -18.1 | 0 | 0 | 0 | 0 | 107.7 | T11 T15 | T11-T13 PolarHBondContact O-N 3.17Å; T13-T15 PolarHBondContact O-N 3.33Å | ||
| 14 | S | 69.1 | Low | 76.3 | Confident | 101 Ų | 101 | 129.1 Ų | 129.1 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 128.1 | 174.3 | 39.1 | 0 | 0 | 0 | 0 | 109.3 | V12 P16 | V12-S14 PolarHBondContact O-N 3.08Å; V12-S14 VanDerWaalsContact O-N 3.08Å; S14-P16 VanDerWaalsContact O-CD 3.29Å; S14-P16 WeakPolarHBondContact O-CD 3.29Å; S14-P16 VanDerWaalsContact O-N 3.13Å |
| 15 | T | 75.9 | Confident | 77.3 | Confident | 135 Ų | 135 | 124 Ų | 124 | 83% | 0.828 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -60 | 117.9 | 175 | -46.7 | 0 | 0 | 0 | 0 | 108.2 | T13 M17 | T13-T15 PolarHBondContact O-N 3.33Å; T15-M17 PolarHBondContact O-N 3.24Å |
| 16 | P | 69.3 | Low | 77.9 | Confident | 112 Ų | 112 | 127.2 Ų | 127.2 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 126.9 | -178.6 | 22.3 | -30.5 | 0 | 0 | 0 | 109 | S14 | S14-P16 VanDerWaalsContact O-CD 3.29Å; S14-P16 WeakPolarHBondContact O-CD 3.29Å; S14-P16 VanDerWaalsContact O-N 3.13Å |
| 17 | M | 70.9 | Confident | 78.8 | Confident | 172 Ų | 172 | 125.2 Ų | 125.2 | 85% | 0.847 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -62 | 131.4 | 178.4 | -158.2 | 171.4 | -176.1 | 0 | 0 | 108.3 | T15 L19 | T15-M17 PolarHBondContact O-N 3.24Å; M17-L19 PolarHBondContact O-N 3.23Å |
| 18 | P | 70.3 | Confident | 79.5 | Confident | 79 Ų | 79 | 122.2 Ų | 122.2 | 51% | 0.513 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 131.1 | 177.2 | -25.2 | 33.2 | 0 | 0 | 0 | 110 | Y20 | P18-Y20 PolarHBondContact O-N 3.41Š|
| 19 | L | 72.8 | Confident | 80 | Confident | 189 Ų | 189 | 121.8 Ų | 121.8 | 99% | 0.99 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -62.4 | -12.1 | -177.4 | -68.1 | 174.1 | 0 | 0 | 0 | 113.4 | M17 | M17-L19 PolarHBondContact O-N 3.23Š|
| 20 | Y | 74.9 | Confident | 80.6 | Confident | 136 Ų | 136 | 121.3 Ų | 121.3 | 53% | 0.533 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -119.6 | 141.6 | 172.2 | 88 | -89.8 | 0 | 0 | 0 | 110.8 | P18 N22 A25 | P18-Y20 PolarHBondContact O-N 3.41Å; Y20-N22 HydrophobicContact CE2-CB 4.35Å; Y20-N22 WeakPolarHBondContact CE2-OD1 3.47Å; Y20-N22 VanDerWaalsContact CZ-OD1 3.24Å; Y20-N22 PolarHBondContact O-N 3.17Å; Y20-N22 PolarHBondContact OH-OD1 3Å; Y20-A25 HydrophobicContact CD2-CB 3.98Å; Y20-A25 HydrophobicContact CE2-CB 3.73Å |
| 21 | D | 87.6 | Confident | 81.3 | Confident | 99 Ų | 99 | 117.2 Ų | 117.2 | 53% | 0.529 | 63% | 0.634 | S | S | . | * | trans | -77.5 | 111.5 | 175.9 | -177.3 | -14 | 0 | 0 | 0 | 109.7 | Q23 K24 A25 | D21-Q23 PolarHBondContact O-N 2.69Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.43Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.4Å; D21-Q23 PolarHBondContact OD1-N 3.31Å; D21-K24 HydrophobicContact CB-CB 3.83Å; D21-K24 PolarHBondContact O-N 3.39Å; D21-K24 VanDerWaalsContact O-N 3.17Å; D21-K24 PolarHBondContact OD1-N 2.97Å; D21-A25 PolarHBondContact O-N 2.75Å | ||
| 22 | N | 86.2 | Confident | 81.7 | Confident | 77 Ų | 77 | 114.5 Ų | 114.5 | 41% | 0.412 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -59.6 | -31.9 | 177 | -81.8 | -80.7 | 0 | 0 | 0 | 112.8 | Y20 R26 | Y20-N22 HydrophobicContact CE2-CB 4.35Å; Y20-N22 WeakPolarHBondContact CE2-OD1 3.47Å; Y20-N22 VanDerWaalsContact CZ-OD1 3.24Å; Y20-N22 PolarHBondContact O-N 3.17Å; Y20-N22 PolarHBondContact OH-OD1 3Å; N22-R26 WeakPolarHBondContact O-CD 3.34Å; N22-R26 WeakPolarHBondContact O-CG 3.43Å; N22-R26 PolarHBondContact O-N 2.96Å; N22-R26 VanDerWaalsContact O-N 3.07Å |
| 23 | Q | 89.9 | Confident | 82.1 | Confident | 147 Ų | 147 | 114.1 Ų | 114.1 | 69% | 0.687 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.4 | -42.4 | 177 | -171.8 | 154.9 | 0.3 | 0 | 0 | 110.8 | D21 A25 R26 S27 | D21-Q23 PolarHBondContact O-N 2.69Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.43Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.4Å; D21-Q23 PolarHBondContact OD1-N 3.31Å; Q23-A25 PolarHBondContact O-N 3.38Å; Q23-R26 PolarHBondContact O-N 3.1Å; Q23-S27 PolarHBondContact O-N 3.25Å; Q23-S27 PolarHBondContact O-OG 3.49Å |
| 24 | K | 87.1 | Confident | 82.6 | Confident | 147 Ų | 147 | 114 Ų | 114 | 64% | 0.639 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63 | -42.8 | 175.4 | -166.1 | 175.1 | -176.8 | -177.8 | 0 | 112 | D21 R26 S27 V28 | D21-K24 HydrophobicContact CB-CB 3.83Å; D21-K24 PolarHBondContact O-N 3.39Å; D21-K24 VanDerWaalsContact O-N 3.17Å; D21-K24 PolarHBondContact OD1-N 2.97Å; K24-R26 VanDerWaalsContact C-N 3.32Å; K24-R26 PolarHBondContact O-N 3.37Å; K24-S27 PolarHBondContact O-N 3.48Å; K24-V28 WeakPolarHBondContact O-CG2 3.31Å; K24-V28 PolarHBondContact O-N 3.32Å; K24-V28 VanDerWaalsContact O-N 3.1Å |
| 25 | A | 88.8 | Confident | 83.1 | Confident | 39 Ų | 39 | 112.3 Ų | 112.3 | 32% | 0.322 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.3 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y20 D21 Q23 V28 M29 | Y20-A25 HydrophobicContact CD2-CB 3.98Å; Y20-A25 HydrophobicContact CE2-CB 3.73Å; D21-A25 PolarHBondContact O-N 2.75Å; Q23-A25 PolarHBondContact O-N 3.38Å; A25-V28 PolarHBondContact O-N 3.04Å; A25-M29 WeakPolarHBondContact O-CG 3.44Å; A25-M29 PolarHBondContact O-N 3.03Å; A25-M29 VanDerWaalsContact O-N 3.1Å |
| 26 | R | 88.8 | Confident | 82.9 | Confident | 178 Ų | 178 | 109 Ų | 109 | 67% | 0.672 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.2 | -41.8 | 176.1 | -72.6 | 170.5 | 65.5 | 120.4 | 6.2 | 112.5 | N22 Q23 K24 V28 M29 N30 | N22-R26 WeakPolarHBondContact O-CD 3.34Å; N22-R26 WeakPolarHBondContact O-CG 3.43Å; N22-R26 PolarHBondContact O-N 2.96Å; N22-R26 VanDerWaalsContact O-N 3.07Å; Q23-R26 PolarHBondContact O-N 3.1Å; K24-R26 VanDerWaalsContact C-N 3.32Å; K24-R26 PolarHBondContact O-N 3.37Å; R26-V28 VanDerWaalsContact C-N 3.31Å; R26-V28 PolarHBondContact O-N 3.44Å; R26-M29 PolarHBondContact O-N 2.98Å; R26-N30 PolarHBondContact O-N 3.1Å; R26-N30 PolarHBondContact O-OD1 3.07Å |
| 27 | S | 92 | Very high | 83.1 | Confident | 72 Ų | 72 | 108 Ų | 108 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 176.7 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | Q23 K24 N30 E31 | Q23-S27 PolarHBondContact O-N 3.25Å; Q23-S27 PolarHBondContact O-OG 3.49Å; K24-S27 PolarHBondContact O-N 3.48Å; S27-N30 PolarHBondContact O-N 3.28Å; S27-E31 PolarHBondContact O-N 3.17Å; S27-E31 VanDerWaalsContact O-N 3.13Å |
| 28 | V | 89.9 | Confident | 82.7 | Confident | 84 Ų | 84 | 103.6 Ų | 103.6 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | K24 A25 R26 N30 E31 C32 | K24-V28 WeakPolarHBondContact O-CG2 3.31Å; K24-V28 PolarHBondContact O-N 3.32Å; K24-V28 VanDerWaalsContact O-N 3.1Å; A25-V28 PolarHBondContact O-N 3.04Å; R26-V28 VanDerWaalsContact C-N 3.31Å; R26-V28 PolarHBondContact O-N 3.44Å; V28-N30 VanDerWaalsContact C-N 3.34Å; V28-N30 PolarHBondContact O-N 3.32Å; V28-E31 PolarHBondContact O-N 2.77Å; V28-C32 PolarHBondContact O-N 2.86Å; V28-C32 PolarHBondContact O-SG 3.42Å; V28-C32 VanDerWaalsContact O-SG 3.33Å |
| 29 | M | 89.9 | Confident | 82.4 | Confident | 131 Ų | 131 | 102 Ų | 102 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -41.5 | 179 | -69.9 | -62.4 | -65.3 | 0 | 0 | 112.6 | A25 R26 E31 C32 E33 | A25-M29 WeakPolarHBondContact O-CG 3.44Å; A25-M29 PolarHBondContact O-N 3.03Å; A25-M29 VanDerWaalsContact O-N 3.1Å; R26-M29 PolarHBondContact O-N 2.98Å; M29-E31 VanDerWaalsContact C-N 3.3Å; M29-E31 PolarHBondContact O-N 3.3Å; M29-C32 PolarHBondContact O-N 3.32Å; M29-E33 PolarHBondContact O-N 2.89Å |
| 30 | N | 90.1 | Very high | 81.8 | Confident | 100 Ų | 100 | 101.5 Ų | 101.5 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 177.7 | -68.8 | 0.7 | 0 | 0 | 0 | 111.9 | R26 S27 V28 E33 R34 | R26-N30 PolarHBondContact O-N 3.1Å; R26-N30 PolarHBondContact O-OD1 3.07Å; S27-N30 PolarHBondContact O-N 3.28Å; V28-N30 VanDerWaalsContact C-N 3.34Å; V28-N30 PolarHBondContact O-N 3.32Å; N30-E33 PolarHBondContact O-N 2.94Å; N30-R34 PolarHBondContact O-N 3.33Å; N30-R34 VanDerWaalsContact O-N 3.09Å |
| 31 | E | 89.6 | Confident | 81.2 | Confident | 79 Ų | 79 | 99.7 Ų | 99.7 | 37% | 0.369 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.4 | -36.7 | 177.2 | -175.9 | 59.1 | -166.1 | 0 | 0 | 111.7 | S27 V28 M29 E33 R34 H35 | S27-E31 PolarHBondContact O-N 3.17Å; S27-E31 VanDerWaalsContact O-N 3.13Å; V28-E31 PolarHBondContact O-N 2.77Å; M29-E31 VanDerWaalsContact C-N 3.3Å; M29-E31 PolarHBondContact O-N 3.3Å; E31-E33 VanDerWaalsContact C-N 3.33Å; E31-R34 PolarHBondContact O-N 3.41Å; E31-R34 IonicContact OE1-CZ 3.94Å; E31-R34 IonicContact OE1-NE 3.03Å; E31-R34 PolarHBondContact OE1-NE 2.71Å; E31-R34 IonicContact OE1-NH2 3.34Å; E31-R34 PolarHBondContact OE1-NH2 3.02Å; E31-R34 IonicContact OE2-CZ 3.12Å; E31-R34 IonicContact OE2-NE 3.97Å; E31-R34 PolarHBondContact OE2-NE 2.83Å; E31-R34 IonicContact OE2-NH2 2.67Å; E31-H35 PolarHBondContact O-N 2.99Å; E31-H35 VanDerWaalsContact O-N 3.13Å; E31-H35 PolarHBondContact O-ND1 2.95Å; E31-H35 IonicContact OE1-CE1 2.89Å; E31-H35 PolarHBondContact OE1-CE1 3.45Å; E31-H35 IonicContact OE1-ND1 3.59Å; E31-H35 IonicContact OE1-NE2 3.54Å |
| 32 | C | 84.7 | Confident | 79.6 | Confident | 65 Ų | 65 | 99.6 Ų | 99.6 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 171.6 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | V28 M29 R34 H35 V36 | V28-C32 PolarHBondContact O-N 2.86Å; V28-C32 PolarHBondContact O-SG 3.42Å; V28-C32 VanDerWaalsContact O-SG 3.33Å; M29-C32 PolarHBondContact O-N 3.32Å; C32-R34 PolarHBondContact O-N 3.29Å; C32-H35 PolarHBondContact O-N 2.95Å; C32-V36 WeakPolarHBondContact O-CG2 3.46Å; C32-V36 PolarHBondContact O-N 3.46Å |
| 33 | E | 82.3 | Confident | 78.3 | Confident | 124 Ų | 124 | 100 Ų | 100 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.8 | -44.6 | 175.9 | -176 | 175.2 | -162.2 | 0 | 0 | 111.6 | M29 N30 E31 H35 V36 I37 | M29-E33 PolarHBondContact O-N 2.89Å; N30-E33 PolarHBondContact O-N 2.94Å; E31-E33 VanDerWaalsContact C-N 3.33Å; E33-H35 VanDerWaalsContact C-N 3.3Å; E33-H35 PolarHBondContact O-N 3.29Å; E33-V36 PolarHBondContact O-N 3.19Å; E33-I37 HydrophobicContact CG-CD1 3.99Å; E33-I37 WeakPolarHBondContact O-CG1 3.33Å; E33-I37 PolarHBondContact O-N 3.13Å |
| 34 | R | 84.4 | Confident | 76.6 | Confident | 129 Ų | 129 | 100.2 Ų | 100.2 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -41.5 | 176.6 | -164.6 | -170 | 66.8 | 70.7 | 2.7 | 112.2 | N30 E31 C32 F38 | N30-R34 PolarHBondContact O-N 3.33Å; N30-R34 VanDerWaalsContact O-N 3.09Å; E31-R34 PolarHBondContact O-N 3.41Å; E31-R34 IonicContact OE1-CZ 3.94Å; E31-R34 IonicContact OE1-NE 3.03Å; E31-R34 PolarHBondContact OE1-NE 2.71Å; E31-R34 IonicContact OE1-NH2 3.34Å; E31-R34 PolarHBondContact OE1-NH2 3.02Å; E31-R34 IonicContact OE2-CZ 3.12Å; E31-R34 IonicContact OE2-NE 3.97Å; E31-R34 PolarHBondContact OE2-NE 2.83Å; E31-R34 IonicContact OE2-NH2 2.67Å; C32-R34 PolarHBondContact O-N 3.29Å; R34-F38 PolarHBondContact O-N 3.4Å |
| 35 | H | 79.3 | Confident | 75.2 | Confident | 64 Ų | 64 | 95.3 Ų | 95.3 | 30% | 0.296 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.9 | -41.4 | 177.2 | -72.8 | 113.2 | 0 | 0 | 0 | 113.1 | E31 C32 E33 I37 F38 A39 | E31-H35 PolarHBondContact O-N 2.99Å; E31-H35 VanDerWaalsContact O-N 3.13Å; E31-H35 PolarHBondContact O-ND1 2.95Å; E31-H35 IonicContact OE1-CE1 2.89Å; E31-H35 PolarHBondContact OE1-CE1 3.45Å; E31-H35 IonicContact OE1-ND1 3.59Å; E31-H35 IonicContact OE1-NE2 3.54Å; C32-H35 PolarHBondContact O-N 2.95Å; E33-H35 VanDerWaalsContact C-N 3.3Å; E33-H35 PolarHBondContact O-N 3.29Å; H35-I37 VanDerWaalsContact C-N 3.33Å; H35-I37 PolarHBondContact O-N 3.49Å; H35-F38 PolarHBondContact O-N 3.01Å; H35-A39 PolarHBondContact O-N 3.3Å |
| 36 | V | 73.1 | Confident | 73.8 | Confident | 65 Ų | 65 | 98.7 Ų | 98.7 | 39% | 0.394 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 177.9 | 169 | 0 | 0 | 0 | 0 | 111.3 | C32 E33 F38 A39 R40 | C32-V36 WeakPolarHBondContact O-CG2 3.46Å; C32-V36 PolarHBondContact O-N 3.46Å; E33-V36 PolarHBondContact O-N 3.19Å; V36-F38 VanDerWaalsContact C-N 3.34Å; V36-A39 PolarHBondContact O-N 3.49Å; V36-R40 HydrophobicContact CG1-CG 4.35Å; V36-R40 VanDerWaalsContact CG1-CZ 3.47Å; V36-R40 WeakPolarHBondContact O-CB 3.37Å; V36-R40 VanDerWaalsContact O-CG 3.28Å; V36-R40 WeakPolarHBondContact O-CG 3.41Å; V36-R40 PolarHBondContact O-N 3.24Å |
| 37 | I | 72.9 | Confident | 72.4 | Confident | 92 Ų | 92 | 95.5 Ų | 95.5 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 177.1 | -67.6 | 165.9 | 0 | 0 | 0 | 110.5 | E33 H35 R40 T41 | E33-I37 HydrophobicContact CG-CD1 3.99Å; E33-I37 WeakPolarHBondContact O-CG1 3.33Å; E33-I37 PolarHBondContact O-N 3.13Å; H35-I37 VanDerWaalsContact C-N 3.33Å; H35-I37 PolarHBondContact O-N 3.49Å; I37-R40 PolarHBondContact O-N 3.43Å; I37-T41 WeakPolarHBondContact O-CB 3.5Å; I37-T41 PolarHBondContact O-N 2.95Å; I37-T41 PolarHBondContact O-OG1 2.95Å |
| 38 | F | 62.9 | Low | 70.7 | Confident | 80 Ų | 80 | 96.8 Ų | 96.8 | 35% | 0.351 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 177.1 | -175.4 | -100.7 | 0 | 0 | 0 | 111.6 | R34 H35 V36 R40 T41 D42 Q73 | R34-F38 PolarHBondContact O-N 3.4Å; H35-F38 PolarHBondContact O-N 3.01Å; V36-F38 VanDerWaalsContact C-N 3.34Å; F38-R40 PolarHBondContact O-N 3.23Å; F38-T41 PolarHBondContact O-N 2.71Å; F38-D42 PolarHBondContact O-N 2.94Å; F38-Q73 VanDerWaalsContact CE2-NE2 3.32Å |
| 39 | A | 62.9 | Low | 69.3 | Low | 45 Ų | 45 | 96.6 Ų | 96.6 | 37% | 0.372 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -36 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H35 V36 D42 A43 | H35-A39 PolarHBondContact O-N 3.3Å; V36-A39 PolarHBondContact O-N 3.49Å; A39-D42 PolarHBondContact O-N 2.99Å; A39-A43 WeakPolarHBondContact O-CB 3.22Å; A39-A43 PolarHBondContact O-N 3.3Å |
| 40 | R | 60.1 | Low | 67.9 | Low | 179 Ų | 179 | 99.2 Ų | 99.2 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.8 | -38.5 | 175.4 | -75.8 | 176.2 | 177.8 | 165.6 | 1.3 | 112.4 | V36 I37 F38 D42 A43 D44 | V36-R40 HydrophobicContact CG1-CG 4.35Å; V36-R40 VanDerWaalsContact CG1-CZ 3.47Å; V36-R40 WeakPolarHBondContact O-CB 3.37Å; V36-R40 VanDerWaalsContact O-CG 3.28Å; V36-R40 WeakPolarHBondContact O-CG 3.41Å; V36-R40 PolarHBondContact O-N 3.24Å; I37-R40 PolarHBondContact O-N 3.43Å; F38-R40 PolarHBondContact O-N 3.23Å; R40-D42 VanDerWaalsContact C-N 3.26Å; R40-D42 PolarHBondContact O-N 3.39Å; R40-A43 PolarHBondContact O-N 2.96Å; R40-D44 PolarHBondContact O-N 3.42Å; R40-D44 VanDerWaalsContact O-N 3.08Å |
| 41 | T | 62.2 | Low | 66.5 | Low | 97 Ų | 97 | 99 Ų | 99 | 60% | 0.595 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66 | -34.1 | 176.4 | -52.3 | 0 | 0 | 0 | 0 | 111 | I37 F38 A45 | I37-T41 WeakPolarHBondContact O-CB 3.5Å; I37-T41 PolarHBondContact O-N 2.95Å; I37-T41 PolarHBondContact O-OG1 2.95Å; F38-T41 PolarHBondContact O-N 2.71Å; T41-A45 PolarHBondContact O-N 2.96Å |
| 42 | D | 55.3 | Low | 65.1 | Low | 97 Ų | 97 | 101.2 Ų | 101.2 | 52% | 0.519 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.4 | -37.7 | 173.9 | -161.4 | 53.5 | 0 | 0 | 0 | 112.3 | F38 A39 R40 A45 | F38-D42 PolarHBondContact O-N 2.94Å; A39-D42 PolarHBondContact O-N 2.99Å; R40-D42 VanDerWaalsContact C-N 3.26Å; R40-D42 PolarHBondContact O-N 3.39Å; D42-A45 VanDerWaalsContact O-CB 3.22Å; D42-A45 WeakPolarHBondContact O-CB 3.2Å; D42-A45 PolarHBondContact O-N 3Å |
| 43 | A | 57.8 | Low | 63.9 | Low | 87 Ų | 87 | 104 Ų | 104 | 72% | 0.719 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73 | -25.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A39 R40 A45 | A39-A43 WeakPolarHBondContact O-CB 3.22Å; A39-A43 PolarHBondContact O-N 3.3Å; R40-A43 PolarHBondContact O-N 2.96Å; A43-A45 VanDerWaalsContact C-N 3.33Å |
| 44 | D | 55.3 | Low | 62.8 | Low | 150 Ų | 150 | 104.1 Ų | 104.1 | 80% | 0.802 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -1.1 | 173.6 | -138.9 | -21.4 | 0 | 0 | 0 | 111.8 | R40 | R40-D44 PolarHBondContact O-N 3.42Å; R40-D44 VanDerWaalsContact O-N 3.08Å |
| 45 | A | 56 | Low | 61.4 | Low | 44 Ų | 44 | 102.8 Ų | 102.8 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -69.7 | 141.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109 | T41 D42 A43 | T41-A45 PolarHBondContact O-N 2.96Å; D42-A45 VanDerWaalsContact O-CB 3.22Å; D42-A45 WeakPolarHBondContact O-CB 3.2Å; D42-A45 PolarHBondContact O-N 3Å; A43-A45 VanDerWaalsContact C-N 3.33Å |
| 46 | P | 60.6 | Low | 60.3 | Low | 110 Ų | 110 | 102.6 Ų | 102.6 | 71% | 0.714 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 140.8 | 169.8 | 22.4 | -30.9 | 0 | 0 | 0 | 108.6 | ||
| 47 | P | 58.3 | Low | 59.3 | Low | 111 Ų | 111 | 104.9 Ų | 104.9 | 72% | 0.721 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 135.3 | 177.6 | 19.8 | -31.3 | 0 | 0 | 0 | 108.3 | P49 | P47-P49 VanDerWaalsContact O-N 3.15Š|
| 48 | P | 56.7 | Low | 58.4 | Low | 100 Ų | 100 | 108.6 Ų | 108.6 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 128.6 | -176.8 | 18.9 | -29.6 | 0 | 0 | 0 | 107.9 | E50 | P48-E50 PolarHBondContact O-N 3.46Š|
| 49 | P | 60.3 | Low | 57.9 | Low | 80 Ų | 80 | 107 Ų | 107 | 52% | 0.519 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 145.2 | -178.5 | 18 | -28.9 | 0 | 0 | 0 | 109.9 | P47 D51 W52 | P47-P49 VanDerWaalsContact O-N 3.15Å; P49-D51 PolarHBondContact O-N 2.86Å; P49-W52 WeakPolarHBondContact O-CB 3.41Å; P49-W52 PolarHBondContact O-N 3.28Å |
| 50 | E | 60.2 | Low | 57.3 | Low | 185 Ų | 185 | 108.4 Ų | 108.4 | 86% | 0.864 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -24.7 | -177.6 | -144.1 | 83.3 | -160.1 | 0 | 0 | 112.5 | P48 W52 | P48-E50 PolarHBondContact O-N 3.46Å; E50-W52 PolarHBondContact O-N 2.89Å |
| 51 | D | 61.1 | Low | 56.9 | Low | 95 Ų | 95 | 107 Ų | 107 | 51% | 0.508 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.2 | 27.3 | 177.8 | -52.3 | -46.6 | 0 | 0 | 0 | 114.1 | P49 E53 E54 H55 | P49-D51 PolarHBondContact O-N 2.86Å; D51-E53 VanDerWaalsContact C-N 3.25Å; D51-E53 PolarHBondContact O-N 3.4Å; D51-E54 HydrophobicContact CB-CB 4.35Å; D51-E54 PolarHBondContact O-N 2.94Å; D51-E54 VanDerWaalsContact O-N 3.12Å; D51-H55 PolarHBondContact O-N 3.04Å; D51-H55 PolarHBondContact O-ND1 2.67Å |
| 52 | W | 60.9 | Low | 56.5 | Low | 126 Ų | 126 | 106.6 Ų | 106.6 | 48% | 0.477 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.8 | -35.1 | 179.8 | 70.7 | -85.6 | 0 | 0 | 0 | 112.2 | P49 E50 E54 H55 V56 | P49-W52 WeakPolarHBondContact O-CB 3.41Å; P49-W52 PolarHBondContact O-N 3.28Å; E50-W52 PolarHBondContact O-N 2.89Å; W52-E54 VanDerWaalsContact C-N 3.33Å; W52-E54 PolarHBondContact O-N 3.47Å; W52-H55 PolarHBondContact O-N 3.25Å; W52-V56 HydrophobicContact CE3-CG2 4.15Å; W52-V56 VanDerWaalsContact O-CG2 3.29Å; W52-V56 WeakPolarHBondContact O-CG2 3.45Å; W52-V56 PolarHBondContact O-N 3.19Å |
| 53 | E | 58.6 | Low | 56.2 | Low | 125 Ų | 125 | 107.8 Ų | 107.8 | 58% | 0.584 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.9 | -38.2 | 175.1 | -69.9 | -172 | 126.6 | 0 | 0 | 111.9 | D51 N57 | D51-E53 VanDerWaalsContact C-N 3.25Å; D51-E53 PolarHBondContact O-N 3.4Å; E53-N57 WeakPolarHBondContact O-CB 3.45Å; E53-N57 PolarHBondContact O-N 3.46Å; E53-N57 PolarHBondContact O-ND2 3.22Å |
| 54 | E | 59.1 | Low | 56.2 | Low | 126 Ų | 126 | 108.2 Ų | 108.2 | 59% | 0.589 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.1 | -35.2 | 176.7 | -148.1 | -179.2 | -159.7 | 0 | 0 | 110.8 | D51 W52 N57 R58 | D51-E54 HydrophobicContact CB-CB 4.35Å; D51-E54 PolarHBondContact O-N 2.94Å; D51-E54 VanDerWaalsContact O-N 3.12Å; W52-E54 VanDerWaalsContact C-N 3.33Å; W52-E54 PolarHBondContact O-N 3.47Å; E54-N57 CarbonylContact O-C 3.56Å; E54-N57 PolarHBondContact O-N 2.85Å; E54-R58 WeakPolarHBondContact O-CB 3.32Å; E54-R58 VanDerWaalsContact O-CG 3.3Å; E54-R58 WeakPolarHBondContact O-CG 3.4Å; E54-R58 PolarHBondContact O-N 3.23Å |
| 55 | H | 56.1 | Low | 56 | Low | 101 Ų | 101 | 106 Ų | 106 | 47% | 0.468 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.8 | -40.5 | 174 | -83.5 | 81.2 | 0 | 0 | 0 | 113.2 | D51 W52 N57 R58 V59 | D51-H55 PolarHBondContact O-N 3.04Å; D51-H55 PolarHBondContact O-ND1 2.67Å; W52-H55 PolarHBondContact O-N 3.25Å; H55-N57 VanDerWaalsContact C-N 3.31Å; H55-R58 CarbonylContact O-C 3.53Å; H55-R58 PolarHBondContact O-N 3.35Å; H55-R58 VanDerWaalsContact O-N 3.1Å; H55-V59 VanDerWaalsContact O-CG2 3.28Å; H55-V59 WeakPolarHBondContact O-CG2 3.46Å; H55-V59 PolarHBondContact O-N 3.13Å |
| 56 | V | 56.1 | Low | 55.7 | Low | 60 Ų | 60 | 107.1 Ų | 107.1 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.9 | -38.9 | 173.8 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | W52 R58 V59 S60 | W52-V56 HydrophobicContact CE3-CG2 4.15Å; W52-V56 VanDerWaalsContact O-CG2 3.29Å; W52-V56 WeakPolarHBondContact O-CG2 3.45Å; W52-V56 PolarHBondContact O-N 3.19Å; V56-R58 VanDerWaalsContact C-N 3.25Å; V56-R58 PolarHBondContact O-N 3.35Å; V56-V59 PolarHBondContact O-N 3.09Å; V56-S60 PolarHBondContact O-N 3.03Å; V56-S60 VanDerWaalsContact O-N 3.1Å |
| 57 | N | 51.9 | Low | 55.3 | Low | 113 Ų | 113 | 103.6 Ų | 103.6 | 60% | 0.604 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.1 | -19.3 | 172.2 | -81.7 | -43.9 | 0 | 0 | 0 | 113.9 | E53 E54 H55 S60 | E53-N57 WeakPolarHBondContact O-CB 3.45Å; E53-N57 PolarHBondContact O-N 3.46Å; E53-N57 PolarHBondContact O-ND2 3.22Å; E54-N57 CarbonylContact O-C 3.56Å; E54-N57 PolarHBondContact O-N 2.85Å; H55-N57 VanDerWaalsContact C-N 3.31Å; N57-S60 VanDerWaalsContact C-OG 3.29Å; N57-S60 PolarHBondContact O-OG 3.41Å |
| 58 | R | 53.2 | Low | 55.3 | Low | 170 Ų | 170 | 100.9 Ų | 100.9 | 64% | 0.642 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -92.1 | -28.5 | 171 | -73.4 | -173.7 | 71.2 | 178.8 | 1.4 | 113.1 | E54 H55 V56 S60 L61 C62 | E54-R58 WeakPolarHBondContact O-CB 3.32Å; E54-R58 VanDerWaalsContact O-CG 3.3Å; E54-R58 WeakPolarHBondContact O-CG 3.4Å; E54-R58 PolarHBondContact O-N 3.23Å; H55-R58 CarbonylContact O-C 3.53Å; H55-R58 PolarHBondContact O-N 3.35Å; H55-R58 VanDerWaalsContact O-N 3.1Å; V56-R58 VanDerWaalsContact C-N 3.25Å; V56-R58 PolarHBondContact O-N 3.35Å; R58-S60 VanDerWaalsContact C-N 3.32Å; R58-L61 WeakPolarHBondContact O-CB 3.23Å; R58-L61 PolarHBondContact O-N 3.36Å; R58-L61 VanDerWaalsContact O-N 3.09Å; R58-C62 PolarHBondContact O-N 3.29Å |
| 59 | V | 53.4 | Low | 55.3 | Low | 47 Ų | 47 | 100.5 Ų | 100.5 | 29% | 0.285 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.6 | -31.8 | 173 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | H55 V56 L61 C62 C66 | H55-V59 VanDerWaalsContact O-CG2 3.28Å; H55-V59 WeakPolarHBondContact O-CG2 3.46Å; H55-V59 PolarHBondContact O-N 3.13Å; V56-V59 PolarHBondContact O-N 3.09Å; V59-L61 PolarHBondContact O-N 2.93Å; V59-C62 CarbonylContact O-C 3.52Å; V59-C62 PolarHBondContact O-N 3.05Å; V59-C66 HydrophobicContact CG1-CB 3.9Å |
| 60 | S | 49.7 | Very low | 55.2 | Low | 74 Ų | 74 | 98.2 Ų | 98.2 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.2 | 169.2 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | V56 N57 R58 | V56-S60 PolarHBondContact O-N 3.03Å; V56-S60 VanDerWaalsContact O-N 3.1Å; N57-S60 VanDerWaalsContact C-OG 3.29Å; N57-S60 PolarHBondContact O-OG 3.41Å; R58-S60 VanDerWaalsContact C-N 3.32Å |
| 61 | L | 51.3 | Low | 55.1 | Low | 150 Ų | 150 | 98.4 Ų | 98.4 | 79% | 0.785 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -14 | 171 | -64 | 166.5 | 0 | 0 | 0 | 113.3 | R58 V59 | R58-L61 WeakPolarHBondContact O-CB 3.23Å; R58-L61 PolarHBondContact O-N 3.36Å; R58-L61 VanDerWaalsContact O-N 3.09Å; V59-L61 PolarHBondContact O-N 2.93Å |
| 62 | C | 54.3 | Low | 55.2 | Low | 87 Ų | 87 | 96.8 Ų | 96.8 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -108.5 | 86 | -177.1 | -123.7 | 0 | 0 | 0 | 0 | 110.2 | R58 V59 C66 | R58-C62 PolarHBondContact O-N 3.29Å; V59-C62 CarbonylContact O-C 3.52Å; V59-C62 PolarHBondContact O-N 3.05Å; C62-C66 WeakPolarHBondContact O-CB 3.45Å |
| 63 | H | 49.3 | Very low | 55.2 | Low | 122 Ų | 122 | 94.9 Ų | 94.9 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | trans | 61.9 | 127.2 | 174.2 | -149.1 | -104.2 | 0 | 0 | 0 | 115.5 | D65 C66 | H63-D65 IonicContact CE1-OD2 2.99Å; H63-D65 PolarHBondContact CE1-OD2 3.02Å; H63-D65 IonicContact ND1-OD2 3.19Å; H63-D65 PolarHBondContact ND1-OD2 3.27Å; H63-D65 VanDerWaalsContact ND1-OD2 3.12Å; H63-D65 PolarHBondContact O-N 3.36Å; H63-C66 PolarHBondContact O-N 3.38Å; H63-C66 VanDerWaalsContact O-N 3.08Å | ||
| 64 | P | 57.1 | Low | 55.2 | Low | 96 Ų | 96 | 93 Ų | 93 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -50.9 | -34.4 | -177.8 | -25.9 | 32.9 | 0 | 0 | 0 | 114 | S67 A68 | P64-S67 PolarHBondContact O-N 3.31Å; P64-S67 PolarHBondContact O-OG 3.24Å; P64-A68 PolarHBondContact O-N 3.34Å |
| 65 | D | 52.6 | Low | 55.4 | Low | 103 Ų | 103 | 90.3 Ų | 90.3 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70 | -32.6 | -177.2 | -59.1 | -35.4 | 0 | 0 | 0 | 114.1 | H63 A68 V69 | H63-D65 IonicContact CE1-OD2 2.99Å; H63-D65 PolarHBondContact CE1-OD2 3.02Å; H63-D65 IonicContact ND1-OD2 3.19Å; H63-D65 PolarHBondContact ND1-OD2 3.27Å; H63-D65 VanDerWaalsContact ND1-OD2 3.12Å; H63-D65 PolarHBondContact O-N 3.36Å; D65-A68 PolarHBondContact O-N 3.08Å; D65-V69 WeakPolarHBondContact O-CG2 3.44Å; D65-V69 PolarHBondContact O-N 3.48Å; D65-V69 VanDerWaalsContact O-N 3.09Å |
| 66 | C | 48.7 | Very low | 55.8 | Low | 68 Ų | 68 | 88.4 Ų | 88.4 | 46% | 0.459 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.4 | -34.8 | 177.5 | -75.4 | 0 | 0 | 0 | 0 | 111.7 | V59 C62 H63 A68 V69 A70 | V59-C66 HydrophobicContact CG1-CB 3.9Å; C62-C66 WeakPolarHBondContact O-CB 3.45Å; H63-C66 PolarHBondContact O-N 3.38Å; H63-C66 VanDerWaalsContact O-N 3.08Å; C66-A68 VanDerWaalsContact C-N 3.33Å; C66-V69 PolarHBondContact O-N 3.04Å; C66-A70 WeakPolarHBondContact O-CB 3.39Å; C66-A70 PolarHBondContact O-N 2.75Å |
| 67 | S | 53.4 | Low | 56 | Low | 36 Ų | 36 | 88.1 Ų | 88.1 | 25% | 0.252 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 175.4 | 78.6 | 0 | 0 | 0 | 0 | 112 | P64 R71 | P64-S67 PolarHBondContact O-N 3.31Å; P64-S67 PolarHBondContact O-OG 3.24Å; S67-R71 WeakPolarHBondContact O-CB 3.49Å; S67-R71 WeakPolarHBondContact O-CG 3.5Å; S67-R71 PolarHBondContact O-N 3.23Å |
| 68 | A | 57.2 | Low | 56.7 | Low | 55 Ų | 55 | 88.2 Ų | 88.2 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P64 D65 C66 R71 S72 | P64-A68 PolarHBondContact O-N 3.34Å; D65-A68 PolarHBondContact O-N 3.08Å; C66-A68 VanDerWaalsContact C-N 3.33Å; A68-R71 PolarHBondContact O-N 3.02Å; A68-S72 VanDerWaalsContact O-CB 3.23Å; A68-S72 WeakPolarHBondContact O-CB 3.46Å; A68-S72 PolarHBondContact O-N 2.98Å |
| 69 | V | 57.6 | Low | 57.3 | Low | 91 Ų | 91 | 84.6 Ų | 84.6 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.6 | -50.3 | 175.1 | 174 | 0 | 0 | 0 | 0 | 110.6 | D65 C66 R71 S72 Q73 | D65-V69 WeakPolarHBondContact O-CG2 3.44Å; D65-V69 PolarHBondContact O-N 3.48Å; D65-V69 VanDerWaalsContact O-N 3.09Å; C66-V69 PolarHBondContact O-N 3.04Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 2.99Å; V69-S72 WeakPolarHBondContact O-CB 3.21Å; V69-S72 PolarHBondContact O-N 3.47Å; V69-S72 VanDerWaalsContact O-N 3.13Å; V69-Q73 HydrophobicContact CG1-CG 4.18Å; V69-Q73 WeakPolarHBondContact O-CG 3.3Å; V69-Q73 PolarHBondContact O-N 3.02Å |
| 70 | A | 57.4 | Low | 58.1 | Low | 33 Ų | 33 | 85.8 Ų | 85.8 | 27% | 0.273 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C66 Q73 L74 | C66-A70 WeakPolarHBondContact O-CB 3.39Å; C66-A70 PolarHBondContact O-N 2.75Å; A70-Q73 PolarHBondContact O-N 2.75Å; A70-L74 WeakPolarHBondContact O-CG 3.42Å; A70-L74 PolarHBondContact O-N 2.85Å |
| 71 | R | 58.9 | Low | 59 | Low | 188 Ų | 188 | 88.1 Ų | 88.1 | 71% | 0.709 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.7 | -38.6 | 175.8 | -70.6 | 174.4 | 72.4 | -168.4 | 2.3 | 112.4 | S67 A68 V69 Q73 L74 T75 | S67-R71 WeakPolarHBondContact O-CB 3.49Å; S67-R71 WeakPolarHBondContact O-CG 3.5Å; S67-R71 PolarHBondContact O-N 3.23Å; A68-R71 PolarHBondContact O-N 3.02Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 2.99Å; R71-Q73 VanDerWaalsContact C-N 3.33Å; R71-L74 PolarHBondContact O-N 3.36Å; R71-T75 WeakPolarHBondContact O-CG2 3.28Å; R71-T75 PolarHBondContact O-N 2.9Å |
| 72 | S | 62.3 | Low | 59.9 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 43% | 0.434 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -36.1 | 175.8 | -163.3 | 0 | 0 | 0 | 0 | 111.7 | A68 V69 T75 T76 | A68-S72 VanDerWaalsContact O-CB 3.23Å; A68-S72 WeakPolarHBondContact O-CB 3.46Å; A68-S72 PolarHBondContact O-N 2.98Å; V69-S72 WeakPolarHBondContact O-CB 3.21Å; V69-S72 PolarHBondContact O-N 3.47Å; V69-S72 VanDerWaalsContact O-N 3.13Å; S72-T75 VanDerWaalsContact O-CG2 3.29Å; S72-T75 WeakPolarHBondContact O-CG2 3.39Å; S72-T76 WeakPolarHBondContact O-CB 3.34Å; S72-T76 WeakPolarHBondContact O-CG2 3.42Å; S72-T76 PolarHBondContact O-N 3.43Å; S72-T76 VanDerWaalsContact O-N 3.11Å; S72-T76 PolarHBondContact O-OG1 3.5Å |
| 73 | Q | 60.3 | Low | 60.5 | Low | 86 Ų | 86 | 84.1 Ų | 84.1 | 40% | 0.402 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.5 | -42.3 | 176.4 | -64.9 | -70.6 | 83.2 | 0 | 0 | 111.3 | F38 V69 A70 R71 T76 S77 | F38-Q73 VanDerWaalsContact CE2-NE2 3.32Å; V69-Q73 HydrophobicContact CG1-CG 4.18Å; V69-Q73 WeakPolarHBondContact O-CG 3.3Å; V69-Q73 PolarHBondContact O-N 3.02Å; A70-Q73 PolarHBondContact O-N 2.75Å; R71-Q73 VanDerWaalsContact C-N 3.33Å; Q73-T76 WeakPolarHBondContact CA-OG1 3.36Å; Q73-T76 PolarHBondContact O-OG1 3.11Å; Q73-S77 WeakPolarHBondContact O-CB 3.38Å; Q73-S77 PolarHBondContact O-N 2.93Å |
| 74 | L | 60 | Low | 61.6 | Low | 85 Ų | 85 | 82.1 Ų | 82.1 | 45% | 0.445 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 176.7 | -72.9 | 168.7 | 0 | 0 | 0 | 112 | A70 R71 S77 L78 | A70-L74 WeakPolarHBondContact O-CG 3.42Å; A70-L74 PolarHBondContact O-N 2.85Å; R71-L74 PolarHBondContact O-N 3.36Å; L74-S77 PolarHBondContact O-N 3.01Å; L74-L78 WeakPolarHBondContact O-CD1 3.22Å; L74-L78 PolarHBondContact O-N 3.48Å |
| 75 | T | 61.7 | Low | 62.3 | Low | 70 Ų | 70 | 79.8 Ų | 79.8 | 43% | 0.429 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 178.7 | -168.2 | 0 | 0 | 0 | 0 | 111.7 | R71 S72 S77 L78 D79 | R71-T75 WeakPolarHBondContact O-CG2 3.28Å; R71-T75 PolarHBondContact O-N 2.9Å; S72-T75 VanDerWaalsContact O-CG2 3.29Å; S72-T75 WeakPolarHBondContact O-CG2 3.39Å; T75-S77 VanDerWaalsContact C-N 3.3Å; T75-S77 PolarHBondContact O-N 3.34Å; T75-L78 PolarHBondContact O-N 2.87Å; T75-D79 WeakPolarHBondContact O-CB 3.46Å; T75-D79 PolarHBondContact O-N 3.09Å; T75-D79 PolarHBondContact OG1-OD2 3.45Å |
| 76 | T | 64.8 | Low | 63.1 | Low | 60 Ų | 60 | 80.4 Ų | 80.4 | 37% | 0.368 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.5 | -34.6 | 179.5 | 50 | 0 | 0 | 0 | 0 | 112 | S72 Q73 L80 | S72-T76 WeakPolarHBondContact O-CB 3.34Å; S72-T76 WeakPolarHBondContact O-CG2 3.42Å; S72-T76 PolarHBondContact O-N 3.43Å; S72-T76 VanDerWaalsContact O-N 3.11Å; S72-T76 PolarHBondContact O-OG1 3.5Å; Q73-T76 WeakPolarHBondContact CA-OG1 3.36Å; Q73-T76 PolarHBondContact O-OG1 3.11Å; T76-L80 VanDerWaalsContact O-CB 3.3Å; T76-L80 WeakPolarHBondContact O-CB 3.44Å; T76-L80 PolarHBondContact O-N 3.27Å |
| 77 | S | 61.2 | Low | 64 | Low | 55 Ų | 55 | 86.5 Ų | 86.5 | 39% | 0.385 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 174.1 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | Q73 L74 T75 L80 Q81 | Q73-S77 WeakPolarHBondContact O-CB 3.38Å; Q73-S77 PolarHBondContact O-N 2.93Å; L74-S77 PolarHBondContact O-N 3.01Å; T75-S77 VanDerWaalsContact C-N 3.3Å; T75-S77 PolarHBondContact O-N 3.34Å; S77-L80 PolarHBondContact O-N 2.98Å; S77-Q81 WeakPolarHBondContact O-CB 3.46Å; S77-Q81 PolarHBondContact O-N 3.48Å |
| 78 | L | 66.3 | Low | 64.5 | Low | 114 Ų | 114 | 88.1 Ų | 88.1 | 60% | 0.597 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.8 | -47.2 | 173.5 | -84.7 | 144.1 | 0 | 0 | 0 | 112 | L74 T75 L80 Q81 D82 | L74-L78 WeakPolarHBondContact O-CD1 3.22Å; L74-L78 PolarHBondContact O-N 3.48Å; T75-L78 PolarHBondContact O-N 2.87Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L78-L80 PolarHBondContact O-N 3.13Å; L78-Q81 WeakPolarHBondContact O-CB 3.2Å; L78-Q81 PolarHBondContact O-N 2.94Å; L78-D82 PolarHBondContact O-N 3.12Å |
| 79 | D | 66.9 | Low | 65.3 | Low | 94 Ų | 94 | 89.3 Ų | 89.3 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -38 | 177.8 | -75.3 | -54.8 | 0 | 0 | 0 | 112 | T75 S83 | T75-D79 WeakPolarHBondContact O-CB 3.46Å; T75-D79 PolarHBondContact O-N 3.09Å; T75-D79 PolarHBondContact OG1-OD2 3.45Å; D79-S83 WeakPolarHBondContact O-CB 3.29Å; D79-S83 PolarHBondContact O-N 3.06Å |
| 80 | L | 69 | Low | 66.1 | Low | 72 Ų | 72 | 89.5 Ų | 89.5 | 38% | 0.377 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 176.7 | -146.9 | 81.7 | 0 | 0 | 0 | 110.9 | T76 S77 L78 S83 V84 | T76-L80 VanDerWaalsContact O-CB 3.3Å; T76-L80 WeakPolarHBondContact O-CB 3.44Å; T76-L80 PolarHBondContact O-N 3.27Å; S77-L80 PolarHBondContact O-N 2.98Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L78-L80 PolarHBondContact O-N 3.13Å; L80-S83 PolarHBondContact O-N 3.33Å; L80-V84 WeakPolarHBondContact O-CB 3.39Å; L80-V84 VanDerWaalsContact O-CG2 3.23Å; L80-V84 WeakPolarHBondContact O-CG2 3.19Å; L80-V84 PolarHBondContact O-N 2.87Å |
| 81 | Q | 68.3 | Low | 66.8 | Low | 123 Ų | 123 | 95.3 Ų | 95.3 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 177.8 | -170.7 | 68.8 | 51.5 | 0 | 0 | 111.6 | S77 L78 S85 | S77-Q81 WeakPolarHBondContact O-CB 3.46Å; S77-Q81 PolarHBondContact O-N 3.48Å; L78-Q81 WeakPolarHBondContact O-CB 3.2Å; L78-Q81 PolarHBondContact O-N 2.94Å; Q81-S85 WeakPolarHBondContact O-CB 3.48Å; Q81-S85 PolarHBondContact O-N 3.43Å; Q81-S85 PolarHBondContact O-OG 3.1Å |
| 82 | D | 69.9 | Low | 67.2 | Low | 99 Ų | 99 | 93.6 Ų | 93.6 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 175.9 | -79 | -20.3 | 0 | 0 | 0 | 111.4 | L78 S85 L86 | L78-D82 PolarHBondContact O-N 3.12Å; D82-S85 PolarHBondContact O-N 3.39Å; D82-L86 WeakPolarHBondContact O-CB 3.38Å; D82-L86 WeakPolarHBondContact O-CD1 3.23Å; D82-L86 WeakPolarHBondContact O-CG 3.16Å; D82-L86 PolarHBondContact O-N 3.1Å |
| 83 | S | 68.1 | Low | 67.1 | Low | 55 Ų | 55 | 100 Ų | 100 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 176.1 | -173.7 | 0 | 0 | 0 | 0 | 112 | D79 L80 S85 L86 W87 | D79-S83 WeakPolarHBondContact O-CB 3.29Å; D79-S83 PolarHBondContact O-N 3.06Å; L80-S83 PolarHBondContact O-N 3.33Å; S83-S85 VanDerWaalsContact C-N 3.33Å; S83-S85 PolarHBondContact O-N 3.32Å; S83-L86 PolarHBondContact O-N 2.78Å; S83-W87 WeakPolarHBondContact O-CB 3.49Å; S83-W87 PolarHBondContact O-N 3.37Å |
| 84 | V | 72.8 | Confident | 67.4 | Low | 79 Ų | 79 | 100.8 Ų | 100.8 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 175.8 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | L80 W87 T88 | L80-V84 WeakPolarHBondContact O-CB 3.39Å; L80-V84 VanDerWaalsContact O-CG2 3.23Å; L80-V84 WeakPolarHBondContact O-CG2 3.19Å; L80-V84 PolarHBondContact O-N 2.87Å; V84-W87 PolarHBondContact O-N 3.19Å; V84-T88 HydrophobicContact CG1-CG2 4.41Å; V84-T88 WeakPolarHBondContact O-CB 3.34Å; V84-T88 WeakPolarHBondContact O-CG2 3.41Å; V84-T88 PolarHBondContact O-N 3.33Å; V84-T88 PolarHBondContact O-OG1 2.75Å |
| 85 | S | 70.1 | Confident | 67.8 | Low | 48 Ų | 48 | 101.6 Ų | 101.6 | 34% | 0.336 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.3 | -40.4 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | Q81 D82 S83 T88 T89 | Q81-S85 WeakPolarHBondContact O-CB 3.48Å; Q81-S85 PolarHBondContact O-N 3.43Å; Q81-S85 PolarHBondContact O-OG 3.1Å; D82-S85 PolarHBondContact O-N 3.39Å; S83-S85 VanDerWaalsContact C-N 3.33Å; S83-S85 PolarHBondContact O-N 3.32Å; S85-T88 WeakPolarHBondContact CA-OG1 3.38Å; S85-T88 PolarHBondContact O-OG1 3.44Å; S85-T89 VanDerWaalsContact O-CB 3.31Å; S85-T89 WeakPolarHBondContact O-CB 3.33Å; S85-T89 PolarHBondContact O-N 3.08Å; S85-T89 PolarHBondContact O-OG1 2.8Å |
| 86 | L | 71.1 | Confident | 68.1 | Low | 115 Ų | 115 | 103.3 Ų | 103.3 | 60% | 0.602 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.3 | -44 | 175.2 | -84.6 | 157.4 | 0 | 0 | 0 | 112 | D82 S83 T90 | D82-L86 WeakPolarHBondContact O-CB 3.38Å; D82-L86 WeakPolarHBondContact O-CD1 3.23Å; D82-L86 WeakPolarHBondContact O-CG 3.16Å; D82-L86 PolarHBondContact O-N 3.1Å; S83-L86 PolarHBondContact O-N 2.78Å; L86-T90 WeakPolarHBondContact O-CB 3.29Å; L86-T90 PolarHBondContact O-N 3.17Å; L86-T90 PolarHBondContact O-OG1 3.34Å |
| 87 | W | 65.8 | Low | 68.3 | Low | 197 Ų | 197 | 105.9 Ų | 105.9 | 75% | 0.746 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.6 | -45.7 | 178.9 | -86.8 | 57.5 | 0 | 0 | 0 | 112.3 | S83 V84 T90 L91 | S83-W87 WeakPolarHBondContact O-CB 3.49Å; S83-W87 PolarHBondContact O-N 3.37Å; V84-W87 PolarHBondContact O-N 3.19Å; W87-T90 PolarHBondContact O-N 3.09Å; W87-L91 WeakPolarHBondContact O-CB 3.28Å; W87-L91 PolarHBondContact O-N 2.94Å |
| 88 | T | 64.9 | Low | 68.8 | Low | 70 Ų | 70 | 109.1 Ų | 109.1 | 43% | 0.429 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.8 | -40.6 | 178.5 | 49.5 | 0 | 0 | 0 | 0 | 112 | V84 S85 L91 L92 | V84-T88 HydrophobicContact CG1-CG2 4.41Å; V84-T88 WeakPolarHBondContact O-CB 3.34Å; V84-T88 WeakPolarHBondContact O-CG2 3.41Å; V84-T88 PolarHBondContact O-N 3.33Å; V84-T88 PolarHBondContact O-OG1 2.75Å; S85-T88 WeakPolarHBondContact CA-OG1 3.38Å; S85-T88 PolarHBondContact O-OG1 3.44Å; T88-L91 PolarHBondContact O-N 2.98Å; T88-L92 WeakPolarHBondContact O-CB 3.37Å; T88-L92 WeakPolarHBondContact O-CD1 3.49Å; T88-L92 WeakPolarHBondContact O-CG 3.3Å; T88-L92 PolarHBondContact O-N 3.12Å |
| 89 | T | 74.4 | Confident | 69 | Low | 79 Ų | 79 | 108.7 Ų | 108.7 | 49% | 0.485 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.9 | -41.9 | 175.5 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | S85 L91 L92 L93 | S85-T89 VanDerWaalsContact O-CB 3.31Å; S85-T89 WeakPolarHBondContact O-CB 3.33Å; S85-T89 PolarHBondContact O-N 3.08Å; S85-T89 PolarHBondContact O-OG1 2.8Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3Å; T89-L92 PolarHBondContact O-N 2.93Å; T89-L93 HydrophobicContact CG2-CD1 4.37Å; T89-L93 WeakPolarHBondContact O-CG 3.35Å; T89-L93 PolarHBondContact O-N 2.99Å |
| 90 | T | 74.9 | Confident | 69.1 | Low | 95 Ų | 95 | 109.8 Ų | 109.8 | 58% | 0.583 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.7 | -33.5 | 178.7 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | L86 W87 L92 | L86-T90 WeakPolarHBondContact O-CB 3.29Å; L86-T90 PolarHBondContact O-N 3.17Å; L86-T90 PolarHBondContact O-OG1 3.34Å; W87-T90 PolarHBondContact O-N 3.09Å; T90-L92 VanDerWaalsContact C-N 3.32Å |
| 91 | L | 70.8 | Confident | 69.1 | Low | 156 Ų | 156 | 112.7 Ų | 112.7 | 82% | 0.817 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.2 | -19.4 | 178.3 | -164.7 | 70 | 0 | 0 | 0 | 113 | W87 T88 T89 | W87-L91 WeakPolarHBondContact O-CB 3.28Å; W87-L91 PolarHBondContact O-N 2.94Å; T88-L91 PolarHBondContact O-N 2.98Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3Å |
| 92 | L | 66.9 | Low | 69.2 | Low | 152 Ų | 152 | 111.8 Ų | 111.8 | 80% | 0.796 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -3 | 178.3 | -75.9 | 166.2 | 0 | 0 | 0 | 113.5 | T88 T89 T90 | T88-L92 WeakPolarHBondContact O-CB 3.37Å; T88-L92 WeakPolarHBondContact O-CD1 3.49Å; T88-L92 WeakPolarHBondContact O-CG 3.3Å; T88-L92 PolarHBondContact O-N 3.12Å; T89-L92 PolarHBondContact O-N 2.93Å; T90-L92 VanDerWaalsContact C-N 3.32Å |
| 93 | L | 60.5 | Low | 69.1 | Low | 197 Ų | 197 | 113 Ų | 113 | 100% | 1.031 | 61% | 0.608 | S | S | * | * | trans | -102.2 | 0 | 174.6 | -72.1 | 171 | 0 | 0 | 0 | 111.1 | T89 | T89-L93 HydrophobicContact CG2-CD1 4.37Å; T89-L93 WeakPolarHBondContact O-CG 3.35Å; T89-L93 PolarHBondContact O-N 2.99Å |
Retrieved 93 of 93 residues in 53.8 ms
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