| 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 | 53.4 | Low | 75.7 | Confident | 243 Ų | 243 | 100.7 Ų | 100.7 | 100% | 1.197 | 61% | 0.614 | S | S | * | * | 0 | 105.1 | 0 | -63.3 | 178.6 | -175.6 | 0 | 0 | 107.7 | R3 | M1-R3 PolarHBondContact O-N 2.81Š| |||
| 2 | A | 56.7 | Low | 76.6 | Confident | 68 Ų | 68 | 102 Ų | 102 | 56% | 0.562 | 61% | 0.613 | S | S | * | * | trans | -69.1 | 130.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L7 | A2-L7 HydrophobicContact CB-CD2 4.45Å; A2-L7 HydrophobicContact CB-CG 4.45Å | ||
| 3 | R | 73.4 | Confident | 77.3 | Confident | 200 Ų | 200 | 98 Ų | 98 | 76% | 0.755 | 60% | 0.598 | S | S | * | * | trans | -62.4 | 144.8 | -177.2 | -74.6 | 179.7 | 159.7 | 173.8 | -5.8 | 109.5 | M1 A5 T6 L7 | M1-R3 PolarHBondContact O-N 2.81Å; R3-A5 PolarHBondContact O-N 2.88Å; R3-T6 PolarHBondContact N-OG1 2.99Å; R3-T6 PolarHBondContact O-N 3.45Å; R3-T6 PolarHBondContact O-OG1 2.87Å; R3-L7 PolarHBondContact O-N 3.43Å | ||
| 4 | P | 71.3 | Confident | 78 | Confident | 111 Ų | 111 | 98.6 Ų | 98.6 | 72% | 0.721 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -55.2 | -32 | -176.9 | 20.7 | -32.9 | 0 | 0 | 0 | 112.8 | T6 L7 A8 | P4-T6 PolarHBondContact O-N 3.35Å; P4-L7 PolarHBondContact O-N 2.92Å; P4-A8 PolarHBondContact O-N 3.5Å |
| 5 | A | 74.4 | Confident | 78.1 | Confident | 73 Ų | 73 | 97.6 Ų | 97.6 | 60% | 0.603 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.5 | -37.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R3 A9 | R3-A5 PolarHBondContact O-N 2.88Å; A5-A9 WeakPolarHBondContact O-CB 2.99Å; A5-A9 PolarHBondContact O-N 2.71Å |
| 6 | T | 78.2 | Confident | 78.2 | Confident | 78 Ų | 78 | 99.9 Ų | 99.9 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.7 | -34.4 | 178.2 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | R3 P4 A10 | R3-T6 PolarHBondContact N-OG1 2.99Å; R3-T6 PolarHBondContact O-N 3.45Å; R3-T6 PolarHBondContact O-OG1 2.87Å; P4-T6 PolarHBondContact O-N 3.35Å; T6-A10 WeakPolarHBondContact O-CB 3.48Å; T6-A10 PolarHBondContact O-N 2.77Å |
| 7 | L | 82.4 | Confident | 78.1 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 58% | 0.581 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.6 | -40.9 | 174.3 | -66.6 | 175.3 | 0 | 0 | 0 | 111.7 | A2 R3 P4 A10 A11 | A2-L7 HydrophobicContact CB-CD2 4.45Å; A2-L7 HydrophobicContact CB-CG 4.45Å; R3-L7 PolarHBondContact O-N 3.43Å; P4-L7 PolarHBondContact O-N 2.92Å; L7-A10 PolarHBondContact O-N 2.87Å; L7-A11 WeakPolarHBondContact O-CB 3.41Å; L7-A11 PolarHBondContact O-N 2.78Å |
| 8 | A | 85 | Confident | 78 | Confident | 52 Ų | 52 | 104.5 Ų | 104.5 | 43% | 0.43 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.4 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P4 A11 L12 | P4-A8 PolarHBondContact O-N 3.5Å; A8-A11 PolarHBondContact O-N 2.78Å; A8-L12 WeakPolarHBondContact O-CB 3.3Å; A8-L12 PolarHBondContact O-N 3.17Å |
| 9 | A | 84.8 | Confident | 77.4 | Confident | 58 Ų | 58 | 101.8 Ų | 101.8 | 48% | 0.479 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.5 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A5 L12 A13 | A5-A9 WeakPolarHBondContact O-CB 2.99Å; A5-A9 PolarHBondContact O-N 2.71Å; A9-L12 PolarHBondContact O-N 2.59Å; A9-A13 WeakPolarHBondContact O-CB 3.37Å; A9-A13 PolarHBondContact O-N 2.94Å |
| 10 | A | 87.4 | Confident | 76.8 | Confident | 61 Ų | 61 | 102.4 Ų | 102.4 | 50% | 0.504 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.5 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | T6 L7 A13 L14 | T6-A10 WeakPolarHBondContact O-CB 3.48Å; T6-A10 PolarHBondContact O-N 2.77Å; L7-A10 PolarHBondContact O-N 2.87Å; A10-A13 PolarHBondContact O-N 2.8Å; A10-L14 WeakPolarHBondContact O-CB 3.06Å; A10-L14 PolarHBondContact O-N 3.34Å |
| 11 | A | 85.8 | Confident | 76 | Confident | 53 Ų | 53 | 103.1 Ų | 103.1 | 44% | 0.438 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.1 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 A8 L14 C15 | L7-A11 WeakPolarHBondContact O-CB 3.41Å; L7-A11 PolarHBondContact O-N 2.78Å; A8-A11 PolarHBondContact O-N 2.78Å; A11-L14 PolarHBondContact O-N 3.38Å; A11-C15 PolarHBondContact O-N 3.2Å; A11-C15 PolarHBondContact O-SG 3.38Å |
| 12 | L | 85.9 | Confident | 76.3 | Confident | 116 Ų | 116 | 94.8 Ų | 94.8 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.6 | -43.3 | 175.3 | -83.8 | 161.6 | 0 | 0 | 0 | 112.2 | A8 A9 L14 C15 L16 | A8-L12 WeakPolarHBondContact O-CB 3.3Å; A8-L12 PolarHBondContact O-N 3.17Å; A9-L12 PolarHBondContact O-N 2.59Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.44Å; L12-C15 PolarHBondContact O-N 3.42Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 2.96Å |
| 13 | A | 86.9 | Confident | 76.1 | Confident | 50 Ų | 50 | 100.2 Ų | 100.2 | 41% | 0.413 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.5 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A9 A10 L16 L17 | A9-A13 WeakPolarHBondContact O-CB 3.37Å; A9-A13 PolarHBondContact O-N 2.94Å; A10-A13 PolarHBondContact O-N 2.8Å; A13-L16 PolarHBondContact O-N 3.03Å; A13-L17 WeakPolarHBondContact O-CD1 3.28Å; A13-L17 PolarHBondContact O-N 3.25Å; A13-L17 VanDerWaalsContact O-N 3.08Å |
| 14 | L | 86.3 | Confident | 75.1 | Confident | 107 Ų | 107 | 94.3 Ų | 94.3 | 56% | 0.56 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.6 | -42.1 | 176.4 | -168.7 | 69.1 | 0 | 0 | 0 | 111.9 | A10 A11 L12 L16 L17 L18 | A10-L14 WeakPolarHBondContact O-CB 3.06Å; A10-L14 PolarHBondContact O-N 3.34Å; A11-L14 PolarHBondContact O-N 3.38Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.44Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 2.85Å; L14-L17 PolarHBondContact O-N 3.27Å; L14-L18 HydrophobicContact CD1-CD1 4.42Å; L14-L18 HydrophobicContact CG-CD1 3.95Å; L14-L18 WeakPolarHBondContact O-CG 3.38Å; L14-L18 PolarHBondContact O-N 3.17Å; L14-L18 VanDerWaalsContact O-N 3.09Å |
| 15 | C | 80.2 | Confident | 74 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 56% | 0.561 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.1 | -38.6 | 175.3 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | A11 L12 L18 A19 | A11-C15 PolarHBondContact O-N 3.2Å; A11-C15 PolarHBondContact O-SG 3.38Å; L12-C15 PolarHBondContact O-N 3.42Å; C15-L18 PolarHBondContact O-N 3.35Å; C15-A19 WeakPolarHBondContact O-CB 3Å; C15-A19 PolarHBondContact O-N 2.02Å |
| 16 | L | 79.1 | Confident | 73.2 | Confident | 135 Ų | 135 | 105.9 Ų | 105.9 | 71% | 0.707 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.7 | -33.3 | 177.4 | -70.9 | 170.7 | 0 | 0 | 0 | 112.9 | L12 A13 L14 | L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 2.96Å; A13-L16 PolarHBondContact O-N 3.03Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 2.85Å |
| 17 | L | 76.6 | Confident | 71.8 | Confident | 151 Ų | 151 | 110.7 Ų | 110.7 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.3 | -33.6 | 173.8 | -104.1 | 87.8 | 0 | 0 | 0 | 112.8 | A13 L14 | A13-L17 WeakPolarHBondContact O-CD1 3.28Å; A13-L17 PolarHBondContact O-N 3.25Å; A13-L17 VanDerWaalsContact O-N 3.08Å; L14-L17 PolarHBondContact O-N 3.27Å |
| 18 | L | 75.8 | Confident | 70.7 | Confident | 131 Ų | 131 | 109.9 Ų | 109.9 | 69% | 0.686 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -86.9 | -18 | -177.4 | -72.6 | 164.3 | 0 | 0 | 0 | 113.1 | L14 C15 | L14-L18 HydrophobicContact CD1-CD1 4.42Å; L14-L18 HydrophobicContact CG-CD1 3.95Å; L14-L18 WeakPolarHBondContact O-CG 3.38Å; L14-L18 PolarHBondContact O-N 3.17Å; L14-L18 VanDerWaalsContact O-N 3.09Å; C15-L18 PolarHBondContact O-N 3.35Å |
| 19 | A | 68.1 | Low | 69 | Low | 54 Ų | 54 | 111 Ų | 111 | 45% | 0.446 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -69.4 | 124.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | C15 | C15-A19 WeakPolarHBondContact O-CB 3Å; C15-A19 PolarHBondContact O-N 2.02Å |
| 20 | P | 64.7 | Low | 67.5 | Low | 112 Ų | 112 | 112.6 Ų | 112.6 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 137.9 | 173.9 | 23.8 | -30.9 | 0 | 0 | 0 | 108.5 | G22 | P20-G22 PolarHBondContact O-N 2.8Š|
| 21 | P | 59.5 | Low | 65.8 | Low | 119 Ų | 119 | 112.8 Ų | 112.8 | 77% | 0.773 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 118.5 | 179.8 | 23.9 | -31.9 | 0 | 0 | 0 | 106.7 | L23 | P21-L23 PolarHBondContact O-N 2.87Å; P21-L23 VanDerWaalsContact O-N 3.09Å |
| 22 | G | 59.2 | Low | 64.4 | Low | 67 Ų | 67 | 122.2 Ų | 122.2 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | trans | -43.8 | 124 | -174.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | P20 A24 | P20-G22 PolarHBondContact O-N 2.8Å; G22-A24 WeakPolarHBondContact O-CA 3.41Å; G22-A24 WeakPolarHBondContact O-CB 3.44Å; G22-A24 PolarHBondContact O-N 3.47Å | ||
| 23 | L | 52.3 | Low | 62.8 | Low | 182 Ų | 182 | 120.7 Ų | 120.7 | 95% | 0.953 | 69% | 0.694 | S | S | * | * | trans | -58.5 | 85.2 | -175.7 | -74.9 | 169.8 | 0 | 0 | 0 | 108.3 | P21 W25 | P21-L23 PolarHBondContact O-N 2.87Å; P21-L23 VanDerWaalsContact O-N 3.09Å; L23-W25 PolarHBondContact O-N 2.86Å | ||
| 24 | A | 53 | Low | 61.5 | Low | 77 Ų | 77 | 123.4 Ų | 123.4 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -69.2 | 121.1 | -178 | 0 | 0 | 0 | 0 | 0 | 105.5 | G22 | G22-A24 WeakPolarHBondContact O-CA 3.41Å; G22-A24 WeakPolarHBondContact O-CB 3.44Å; G22-A24 PolarHBondContact O-N 3.47Å | ||
| 25 | W | 49.6 | Very low | 60 | Low | 228 Ų | 228 | 127.9 Ų | 127.9 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | 78.5 | 110.3 | 148.7 | -71.8 | 62.8 | 0 | 0 | 0 | 115.7 | L23 K27 | L23-W25 PolarHBondContact O-N 2.86Å; W25-K27 PolarHBondContact O-N 2.91Å | ||
| 26 | Y | 57.3 | Low | 59 | Low | 198 Ų | 198 | 129.3 Ų | 129.3 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -8.4 | 96.2 | 132.4 | -173.7 | -103.2 | 0 | 0 | 0 | 111.6 | P28 | Y26-P28 HydrophobicContact CD1-CB 4.49Å; Y26-P28 HydrophobicContact CD1-CG 4.04Å; Y26-P28 HydrophobicContact CE1-CB 3.87Å; Y26-P28 HydrophobicContact CE1-CG 3.74Å; Y26-P28 WeakPolarHBondContact O-CD 3.44Å | ||
| 27 | K | 48.3 | Very low | 57.8 | Low | 180 Ų | 180 | 127.5 Ų | 127.5 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | -93.1 | 100.8 | 168.1 | -163.5 | -179.3 | -172.6 | 174.1 | 0 | 105 | W25 A29 | W25-K27 PolarHBondContact O-N 2.91Å; K27-A29 HydrophobicContact CD-CB 4.23Å; K27-A29 HydrophobicContact CG-CB 4.07Å; K27-A29 PolarHBondContact O-N 2.78Å | ||
| 28 | P | 58 | Low | 56.6 | Low | 93 Ų | 93 | 123.4 Ų | 123.4 | 60% | 0.604 | 72% | 0.72 | S | S | * | * | trans | -70.6 | 79.4 | 161.3 | 27.6 | -27.5 | 0 | 0 | 0 | 106.8 | Y26 A30 | Y26-P28 HydrophobicContact CD1-CB 4.49Å; Y26-P28 HydrophobicContact CD1-CG 4.04Å; Y26-P28 HydrophobicContact CE1-CB 3.87Å; Y26-P28 HydrophobicContact CE1-CG 3.74Å; Y26-P28 WeakPolarHBondContact O-CD 3.44Å; P28-A30 PolarHBondContact O-N 3.33Å | ||
| 29 | A | 50.4 | Low | 55.7 | Low | 77 Ų | 77 | 129.6 Ų | 129.6 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | -83.3 | 97.4 | 171 | 0 | 0 | 0 | 0 | 0 | 108.3 | K27 | K27-A29 HydrophobicContact CD-CB 4.23Å; K27-A29 HydrophobicContact CG-CB 4.07Å; K27-A29 PolarHBondContact O-N 2.78Å | ||
| 30 | A | 53.7 | Low | 55.2 | Low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | trans | 135.4 | 90.8 | 161 | 0 | 0 | 0 | 0 | 0 | 106.9 | P28 | P28-A30 PolarHBondContact O-N 3.33Š| ||
| 31 | G | 50.3 | Low | 54.7 | Low | 66 Ų | 66 | 126.5 Ų | 126.5 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | 64.6 | 113.7 | 71.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | S33 | G31-S33 PolarHBondContact O-N 3.42Š| |||
| 32 | R | 56.5 | Low | 54.4 | Low | 250 Ų | 250 | 123.7 Ų | 123.7 | 94% | 0.943 | 71% | 0.711 | S | S | * | * | trans | -53.7 | 87.4 | 176.7 | -73.4 | 178 | 171.4 | -179.7 | -2.6 | 109.7 | S34 | R32-S34 PolarHBondContact O-N 2.87Š| ||
| 33 | S | 53.7 | Low | 54.2 | Low | 85 Ų | 85 | 127.1 Ų | 127.1 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | trans | -79.5 | 85.2 | 172.2 | 158.8 | 0 | 0 | 0 | 0 | 105.2 | G31 Y35 | G31-S33 PolarHBondContact O-N 3.42Å; S33-Y35 PolarHBondContact O-N 2.89Å | ||
| 34 | S | 58.8 | Low | 54.3 | Low | 107 Ų | 107 | 124.9 Ų | 124.9 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | trans | -60.6 | 87.4 | 165 | -57.2 | 0 | 0 | 0 | 0 | 107.3 | R32 S36 | R32-S34 PolarHBondContact O-N 2.87Å; S34-S36 PolarHBondContact O-N 3.2Å | ||
| 35 | Y | 55.4 | Low | 54.2 | Low | 200 Ų | 200 | 126.2 Ų | 126.2 | 78% | 0.784 | 71% | 0.705 | S | S | * | * | trans | -66 | 107.5 | 172.2 | -127.4 | -95.9 | 0 | 0 | 0 | 106.1 | S33 V37 | S33-Y35 PolarHBondContact O-N 2.89Å; Y35-V37 PolarHBondContact O-N 3.25Å | ||
| 36 | S | 59.3 | Low | 54.3 | Low | 113 Ų | 113 | 117.7 Ų | 117.7 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | trans | -58.3 | 103 | 174.3 | -66.9 | 0 | 0 | 0 | 0 | 108.2 | S34 G38 | S34-S36 PolarHBondContact O-N 3.2Å; S36-G38 VanDerWaalsContact C-N 3.3Å; S36-G38 PolarHBondContact O-N 3.11Å | ||
| 37 | V | 53.2 | Low | 54 | Low | 97 Ų | 97 | 116.7 Ų | 116.7 | 59% | 0.588 | 69% | 0.689 | S | S | * | * | trans | -69.6 | 94.6 | 175.4 | -163.8 | 0 | 0 | 0 | 0 | 107.1 | Y35 R39 A40 A41 | Y35-V37 PolarHBondContact O-N 3.25Å; V37-R39 PolarHBondContact O-N 1.99Å; V37-A40 HydrophobicContact CG1-CB 3.92Å; V37-A41 PolarHBondContact O-N 3.38Å | ||
| 38 | G | 52.5 | Low | 54.4 | Low | 65 Ų | 65 | 119.6 Ų | 119.6 | 67% | 0.67 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.5 | 129.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S36 A40 | S36-G38 VanDerWaalsContact C-N 3.3Å; S36-G38 PolarHBondContact O-N 3.11Å; G38-A40 PolarHBondContact O-N 2.94Å |
| 39 | R | 56.8 | Low | 53.8 | Low | 262 Ų | 262 | 126.1 Ų | 126.1 | 99% | 0.989 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.3 | -16.3 | 176.7 | -60.6 | -169.5 | -172.5 | -122.6 | 3.5 | 118.5 | V37 | V37-R39 PolarHBondContact O-N 1.99Š|
| 40 | A | 56.9 | Low | 53.4 | Low | 48 Ų | 48 | 127.6 Ų | 127.6 | 40% | 0.397 | 71% | 0.713 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94 | -15.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V37 G38 G42 L43 | V37-A40 HydrophobicContact CG1-CB 3.92Å; G38-A40 PolarHBondContact O-N 2.94Å; A40-G42 PolarHBondContact O-N 3.17Å; A40-L43 PolarHBondContact O-N 3.39Å; A40-L43 VanDerWaalsContact O-N 3.17Å |
| 41 | A | 54.3 | Low | 53.4 | Low | 52 Ų | 52 | 128.4 Ų | 128.4 | 43% | 0.43 | 71% | 0.711 | S | S | . | * | G | 310 helix | trans | -62.3 | -22.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V37 L43 L44 S45 | V37-A41 PolarHBondContact O-N 3.38Å; A41-L43 PolarHBondContact O-N 3.44Å; A41-L44 PolarHBondContact O-N 2.67Å; A41-S45 PolarHBondContact O-N 3.17Å; A41-S45 PolarHBondContact O-OG 3.27Å |
| 42 | G | 53.5 | Low | 53 | Low | 61 Ų | 61 | 136.4 Ų | 136.4 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -65.6 | -20.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A40 | A40-G42 PolarHBondContact O-N 3.17Š|
| 43 | L | 54.4 | Low | 52.2 | Low | 139 Ų | 139 | 129 Ų | 129 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -80.9 | -22.3 | 179 | -72.1 | 170.6 | 0 | 0 | 0 | 113.3 | A40 A41 | A40-L43 PolarHBondContact O-N 3.39Å; A40-L43 VanDerWaalsContact O-N 3.17Å; A41-L43 PolarHBondContact O-N 3.44Å |
| 44 | L | 54.3 | Low | 51.6 | Low | 135 Ų | 135 | 136.3 Ų | 136.3 | 71% | 0.707 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -15.5 | -179.5 | -63.3 | 178.8 | 0 | 0 | 0 | 113.2 | A41 G46 F47 | A41-L44 PolarHBondContact O-N 2.67Å; L44-G46 PolarHBondContact O-N 3.32Å; L44-F47 HydrophobicContact CD2-CD2 4.16Å; L44-F47 HydrophobicContact CD2-CE2 3.94Å |
| 45 | S | 51.8 | Low | 51.1 | Low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -11.4 | 171 | -59.5 | 0 | 0 | 0 | 0 | 113.6 | A41 | A41-S45 PolarHBondContact O-N 3.17Å; A41-S45 PolarHBondContact O-OG 3.27Å |
| 46 | G | 51.8 | Low | 50.1 | Low | 50 Ų | 50 | 138.6 Ų | 138.6 | 52% | 0.515 | 74% | 0.738 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -8.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | L44 R48 | L44-G46 PolarHBondContact O-N 3.32Å; G46-R48 PolarHBondContact O-N 3.03Å; G46-R48 VanDerWaalsContact O-N 3.14Å |
| 47 | F | 50.1 | Low | 49 | Very low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.772 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 2.6 | -175.7 | -80.6 | -75.2 | 0 | 0 | 0 | 115 | L44 | L44-F47 HydrophobicContact CD2-CD2 4.16Å; L44-F47 HydrophobicContact CD2-CE2 3.94Å |
| 48 | R | 55.8 | Low | 48.7 | Very low | 241 Ų | 241 | 142.6 Ų | 142.6 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 33.6 | 171.5 | -64.6 | -161.1 | -151.2 | -107.2 | 5.1 | 114.2 | G46 | G46-R48 PolarHBondContact O-N 3.03Å; G46-R48 VanDerWaalsContact O-N 3.14Å |
| 49 | R | 45.8 | Very low | 47.9 | Very low | 231 Ų | 231 | 148.1 Ų | 148.1 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -155.2 | 119.8 | 157 | -124.9 | 171 | -115.2 | 173.5 | -3.8 | 112.3 | ||
| 50 | S | 42 | Very low | 46.8 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | -70.2 | -174.4 | 169.1 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 51 | P | 55.2 | Low | 45.5 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | -115.6 | 178.2 | -82.3 | 31.5 | -12.8 | 0 | 0 | 0 | 111.7 | |||||
| 52 | Y | 41.3 | Very low | 44.5 | Very low | 234 Ų | 234 | 151 Ų | 151 | 92% | 0.918 | 79% | 0.791 | S | S | * | * | trans | 81 | 109.9 | 171.6 | -82.7 | -91.5 | 0 | 0 | 0 | 119.3 | ||||
| 53 | A | 40.2 | Very low | 43.5 | Very low | 95 Ų | 95 | 157 Ų | 157 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | 166 | 102.2 | 124.7 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 54 | R | 40.9 | Very low | 43.4 | Very low | 238 Ų | 238 | 154.6 Ų | 154.6 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | 77.3 | 97.9 | 100.1 | -168.9 | -178.4 | -73.9 | -134.8 | 1.5 | 114.4 | |||||
| 55 | R | 46.8 | Very low | 43.3 | Very low | 235 Ų | 235 | 154.2 Ų | 154.2 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | 33.2 | 116.3 | 137.2 | -173.9 | -173.9 | -70.7 | -117.9 | 1.5 | 118.3 | ||||
| 56 | S | 35.2 | Very low | 42.3 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | -177.3 | 123.2 | 126.4 | 39.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 57 | Q | 36.8 | Very low | 42.1 | Very low | 185 Ų | 185 | 162.6 Ų | 162.6 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -81.5 | 166.1 | 146.3 | -118.4 | -173 | -2.6 | 0 | 0 | 107.2 | ||||
| 58 | P | 47.2 | Very low | 41.5 | Very low | 110 Ų | 110 | 158.7 Ų | 158.7 | 71% | 0.714 | 82% | 0.824 | S | S | * | * | cis | -152 | 170.7 | 32.4 | 41.5 | -19.2 | 0 | 0 | 0 | 119.4 | ||||
| 59 | H | 34.3 | Very low | 40.6 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | 81.8 | 149.4 | 139.1 | -126.4 | 47.4 | 0 | 0 | 0 | 126.7 | ||||
| 60 | R | 34.4 | Very low | 40.1 | Very low | 237 Ų | 237 | 144.4 Ų | 144.4 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | 79.7 | 131.4 | 170.9 | -66.7 | -173 | 177.6 | 153.2 | 0.3 | 117.1 | ||||
| 61 | G | 30.4 | Very low | 40.2 | Very low | 73 Ų | 73 | 143.9 Ų | 143.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | cis | 174.4 | 178.9 | 3.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 62 | A | 31.7 | Very low | 39.5 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | trans | 92.3 | 132 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 63 | E | 33.5 | Very low | 39.5 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -72.5 | 176.5 | -167.7 | -108.6 | -100.2 | 121.4 | 0 | 0 | 115.4 | ||||
| 64 | P | 52.9 | Low | 39.9 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 58% | 0.584 | 80% | 0.8 | S | S | * | * | trans | -92.5 | -155.3 | -163.4 | 46.9 | -38.6 | 0 | 0 | 0 | 109.7 | ||||
| 65 | P | 52.2 | Low | 40.2 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | cis | -132.6 | 160.3 | 3 | 38.4 | -18.7 | 0 | 0 | 0 | 115.1 | ||||
| 66 | G | 29.5 | Very low | 40.7 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -166.6 | 87.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | A68 | G66-A68 VanDerWaalsContact C-N 3.28Å; G66-A68 PolarHBondContact O-N 2.79Å | ||
| 67 | R | 48.4 | Very low | 42 | Very low | 261 Ų | 261 | 132.1 Ų | 132.1 | 99% | 0.985 | 76% | 0.761 | S | S | * | * | trans | -53.8 | 83 | 173.1 | -156.1 | 177.2 | -159.9 | 169.5 | 3.1 | 110 | ||||
| 68 | A | 37.2 | Very low | 43.1 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | trans | -87.6 | 121.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | G66 A70 | G66-A68 VanDerWaalsContact C-N 3.28Å; G66-A68 PolarHBondContact O-N 2.79Å; A68-A70 PolarHBondContact O-N 2.99Å | ||
| 69 | G | 36.5 | Very low | 43.6 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | -44.6 | 126.7 | -168 | 0 | 0 | 0 | 0 | 0 | 113.3 | S71 | G69-S71 PolarHBondContact O-N 2.64Š| ||
| 70 | A | 36.2 | Very low | 44.8 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -53.8 | 106.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | A68 | A68-A70 PolarHBondContact O-N 2.99Š| ||
| 71 | S | 43.3 | Very low | 46 | Very low | 96 Ų | 96 | 123 Ų | 123 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | trans | -50 | 136.3 | 151.9 | 40.1 | 0 | 0 | 0 | 0 | 106.4 | G69 E73 | G69-S71 PolarHBondContact O-N 2.64Å; S71-E73 PolarHBondContact O-N 2.79Å | ||
| 72 | P | 41.1 | Very low | 47.4 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 81% | 0.805 | 71% | 0.712 | S | S | * | * | trans | -67.3 | 90.9 | 165.5 | 28.5 | -27.7 | 0 | 0 | 0 | 104.3 | L74 | P72-L74 PolarHBondContact O-N 3.31Š| ||
| 73 | E | 40.4 | Very low | 48.9 | Very low | 139 Ų | 139 | 123.2 Ų | 123.2 | 65% | 0.65 | 69% | 0.689 | S | S | * | * | trans | -49.6 | 99 | 155.9 | -168.9 | -174.7 | 158.8 | 0 | 0 | 103.2 | S71 Q75 R81 | S71-E73 PolarHBondContact O-N 2.79Å; E73-Q75 VanDerWaalsContact C-N 3.33Å; E73-Q75 PolarHBondContact O-N 3.19Å; E73-R81 IonicContact OE1-NH2 3.5Å; E73-R81 PolarHBondContact OE1-NH2 3.09Å | ||
| 74 | L | 48 | Very low | 50.3 | Low | 142 Ų | 142 | 117.3 Ų | 117.3 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | trans | -46.6 | 107.8 | 179.7 | -153.8 | 94 | 0 | 0 | 0 | 103.3 | P72 L76 | P72-L74 PolarHBondContact O-N 3.31Å; L74-L76 HydrophobicContact CD2-CD1 3.89Å; L74-L76 PolarHBondContact O-N 3.18Å | ||
| 75 | Q | 48.5 | Very low | 51.1 | Low | 176 Ų | 176 | 115 Ų | 115 | 82% | 0.822 | 66% | 0.656 | S | S | * | * | trans | -69.6 | 76.7 | -170.9 | -72.9 | -175.3 | 15.9 | 0 | 0 | 106.8 | E73 H77 | E73-Q75 VanDerWaalsContact C-N 3.33Å; E73-Q75 PolarHBondContact O-N 3.19Å; Q75-H77 PolarHBondContact O-N 2.9Å; Q75-H77 VanDerWaalsContact O-N 3.17Å | ||
| 76 | L | 56.8 | Low | 52.4 | Low | 58 Ų | 58 | 110.1 Ų | 110.1 | 30% | 0.304 | 63% | 0.625 | S | S | . | * | trans | -62.7 | 121.4 | 177 | -135.4 | 73.5 | 0 | 0 | 0 | 103.6 | L74 L80 | L74-L76 HydrophobicContact CD2-CD1 3.89Å; L74-L76 PolarHBondContact O-N 3.18Å; L76-L80 HydrophobicContact CB-CB 4.5Å; L76-L80 HydrophobicContact CD2-CB 3.79Å; L76-L80 HydrophobicContact CD2-CD1 4.35Å; L76-L80 HydrophobicContact CG-CB 3.96Å; L76-L80 HydrophobicContact CG-CD1 3.89Å | ||
| 77 | H | 63.2 | Low | 54.8 | Low | 143 Ų | 143 | 111 Ų | 111 | 66% | 0.662 | 62% | 0.616 | S | S | * | * | trans | -42.3 | 138.5 | -177.2 | -82.5 | 77 | 0 | 0 | 0 | 109.7 | Q75 R79 L80 | Q75-H77 PolarHBondContact O-N 2.9Å; Q75-H77 VanDerWaalsContact O-N 3.17Å; H77-R79 PolarHBondContact O-N 2.95Å; H77-L80 HydrophobicContact CB-CD1 4.36Å; H77-L80 WeakPolarHBondContact O-CB 3.26Å; H77-L80 PolarHBondContact O-N 3.09Å | ||
| 78 | P | 58.9 | Low | 56.4 | Low | 105 Ų | 105 | 104.5 Ų | 104.5 | 68% | 0.682 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -51.2 | -29.1 | -172.1 | -28.9 | 34.6 | 0 | 0 | 0 | 114.4 | L80 R81 | P78-L80 VanDerWaalsContact C-N 3.28Å; P78-L80 PolarHBondContact O-N 3.03Å; P78-R81 PolarHBondContact O-N 3.43Å |
| 79 | R | 57.5 | Low | 58.5 | Low | 213 Ų | 213 | 104.5 Ų | 104.5 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -63.1 | -26.4 | 175.1 | -67.9 | -71 | -171.6 | 178.4 | 0.7 | 114.6 | H77 | H77-R79 PolarHBondContact O-N 2.95Š|
| 80 | L | 60.2 | Low | 60.7 | Low | 43 Ų | 43 | 104.6 Ų | 104.6 | 23% | 0.225 | 57% | 0.57 | C | S | . | * | G | 310 helix | trans | -88.8 | -15.2 | -178.6 | -64.6 | 174.4 | 0 | 0 | 0 | 112.4 | L76 H77 P78 S82 V85 L115 L117 | L76-L80 HydrophobicContact CB-CB 4.5Å; L76-L80 HydrophobicContact CD2-CB 3.79Å; L76-L80 HydrophobicContact CD2-CD1 4.35Å; L76-L80 HydrophobicContact CG-CB 3.96Å; L76-L80 HydrophobicContact CG-CD1 3.89Å; H77-L80 HydrophobicContact CB-CD1 4.36Å; H77-L80 WeakPolarHBondContact O-CB 3.26Å; H77-L80 PolarHBondContact O-N 3.09Å; P78-L80 VanDerWaalsContact C-N 3.28Å; P78-L80 PolarHBondContact O-N 3.03Å; L80-S82 VanDerWaalsContact C-N 3.31Å; L80-S82 PolarHBondContact O-N 3.02Å; L80-V85 HydrophobicContact CB-CG2 4.02Å; L80-V85 HydrophobicContact CD2-CG2 3.99Å; L80-V85 VanDerWaalsContact O-CG2 3.28Å; L80-V85 WeakPolarHBondContact O-CG2 3.48Å; L80-L115 HydrophobicContact CD1-CD1 4.5Å; L80-L117 HydrophobicContact CD2-CD2 3.73Å |
| 81 | R | 60.4 | Low | 63.2 | Low | 160 Ų | 160 | 101.8 Ų | 101.8 | 60% | 0.604 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -25.2 | -179.4 | -68.7 | -178.2 | 170.7 | -172 | -12.3 | 113.6 | E73 P78 | E73-R81 IonicContact OE1-NH2 3.5Å; E73-R81 PolarHBondContact OE1-NH2 3.09Å; P78-R81 PolarHBondContact O-N 3.43Å |
| 82 | S | 59 | Low | 65.3 | Low | 104 Ų | 104 | 100.8 Ų | 100.8 | 73% | 0.727 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -3.9 | -177.9 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | L80 | L80-S82 VanDerWaalsContact C-N 3.31Å; L80-S82 PolarHBondContact O-N 3.02Å |
| 83 | L | 62.1 | Low | 67.4 | Low | 86 Ų | 86 | 97.3 Ų | 97.3 | 45% | 0.45 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -105 | 145 | 178.4 | -64.8 | 172.9 | 0 | 0 | 0 | 108.5 | V85 L117 | L83-V85 HydrophobicContact CB-CG2 4.04Å; L83-V85 WeakPolarHBondContact O-CG2 2.86Å; L83-V85 PolarHBondContact O-N 3.36Å; L83-L117 HydrophobicContact CB-CD2 4.32Å; L83-L117 HydrophobicContact CD1-CD1 4.03Å; L83-L117 HydrophobicContact CD1-CD2 4.08Å; L83-L117 HydrophobicContact CD1-CG 4.48Å |
| 84 | A | 62.9 | Low | 69.6 | Low | 62 Ų | 62 | 96.8 Ų | 96.8 | 51% | 0.512 | 51% | 0.513 | S | S | . | . | trans | -69.5 | 84.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | L117 | A84-L117 CarbonylContact O-C 3.56Š| ||
| 85 | V | 71.4 | Confident | 71.4 | Confident | 40 Ų | 40 | 98.6 Ų | 98.6 | 24% | 0.242 | 52% | 0.518 | C | S | . | . | trans | -86.7 | 126 | 179 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | L80 L83 L115 S116 L117 | L80-V85 HydrophobicContact CB-CG2 4.02Å; L80-V85 HydrophobicContact CD2-CG2 3.99Å; L80-V85 VanDerWaalsContact O-CG2 3.28Å; L80-V85 WeakPolarHBondContact O-CG2 3.48Å; L83-V85 HydrophobicContact CB-CG2 4.04Å; L83-V85 WeakPolarHBondContact O-CG2 2.86Å; L83-V85 PolarHBondContact O-N 3.36Å; V85-L115 HydrophobicContact CG1-CB 3.82Å; V85-L115 HydrophobicContact CG1-CD1 3.9Å; V85-L115 HydrophobicContact CG1-CD2 4.13Å; V85-L115 HydrophobicContact CG1-CG 4.16Å; V85-S116 WeakPolarHBondContact CA-O 3.04Å; V85-L117 HydrophobicContact CB-CD2 4.47Å; V85-L117 HydrophobicContact CG1-CD2 4.36Å; V85-L117 HydrophobicContact CG2-CD2 3.65Å | ||
| 86 | C | 77.9 | Confident | 73.1 | Confident | 25 Ų | 25 | 98.5 Ų | 98.5 | 17% | 0.169 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.3 | 174.2 | 53.2 | 0 | 0 | 0 | 0 | 110.4 | Q88 L115 S116 C122 | C86-Q88 PolarHBondContact O-N 3.42Å; C86-L115 CarbonylContact O-C 3.51Å; C86-L115 WeakPolarHBondContact O-CA 3.4Å; C86-S116 PolarHBondContact N-O 3.39Å; C86-S116 PolarHBondContact O-N 3Å; C86-C122 HydrophobicContact CB-CB 3.54Å; C86-C122 WeakPolarHBondContact CB-SG 3.34Å; C86-C122 WeakPolarHBondContact SG-CB 3.46Å; C86-C122 CovalentContact SG-SG 1.99Å; C86-C122 PolarHBondContact SG-SG 2.82Å |
| 87 | V | 81.8 | Confident | 74.7 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 118 | 177.8 | -174.9 | 0 | 0 | 0 | 0 | 107.3 | V90 V113 L115 | V87-V90 HydrophobicContact CG1-CG2 3.59Å; V87-V113 HydrophobicContact CG1-CG1 4.08Å; V87-L115 HydrophobicContact CB-CD2 4.23Å; V87-L115 HydrophobicContact CG2-CD2 3.7Å |
| 88 | Q | 81.6 | Confident | 76.1 | Confident | 125 Ų | 125 | 97.5 Ų | 97.5 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -42.1 | 179.9 | -170 | 171.5 | 26.2 | 0 | 0 | 110.8 | C86 F114 | C86-Q88 PolarHBondContact O-N 3.42Å; Q88-F114 PolarHBondContact N-O 3Å |
| 89 | D | 79.9 | Confident | 77.6 | Confident | 93 Ų | 93 | 100.7 Ų | 100.7 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 152.8 | 179.2 | -167.8 | 22 | 0 | 0 | 0 | 111.6 | F114 | D89-F114 HydrophobicContact CB-CB 4.44Å; D89-F114 HydrophobicContact CB-CD2 4.23Å; D89-F114 PolarHBondContact N-O 2.97Å; D89-F114 PolarHBondContact O-N 3.4Å |
| 90 | V | 84.4 | Confident | 79.2 | Confident | 76 Ų | 76 | 93.4 Ų | 93.4 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 108.8 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 108 | V87 P92 A111 V113 | V87-V90 HydrophobicContact CG1-CG2 3.59Å; V90-P92 VanDerWaalsContact O-CD 3.26Å; V90-P92 WeakPolarHBondContact O-CD 3.44Å; V90-A111 HydrophobicContact CG1-CB 4.01Å; V90-V113 HydrophobicContact CG1-CG2 4.42Å; V90-V113 HydrophobicContact CG2-CG1 4.44Å |
| 91 | A | 88.8 | Confident | 80.4 | Confident | 39 Ų | 39 | 97.2 Ų | 97.2 | 32% | 0.322 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 101.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A111 D112 F114 | A91-A111 WeakPolarHBondContact O-CA 3.46Å; A91-D112 PolarHBondContact N-O 2.92Å; A91-D112 PolarHBondContact O-N 3.41Å; A91-F114 HydrophobicContact CB-CE2 4.41Å |
| 92 | P | 85.9 | Confident | 81.6 | Confident | 76 Ų | 76 | 93.9 Ų | 93.9 | 49% | 0.494 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 136.2 | 178.2 | 30.2 | -34.2 | 0 | 0 | 0 | 111.6 | V90 L94 A111 | V90-P92 VanDerWaalsContact O-CD 3.26Å; V90-P92 WeakPolarHBondContact O-CD 3.44Å; P92-L94 PolarHBondContact O-N 3.14Å; P92-A111 HydrophobicContact CB-CB 4.34Å |
| 93 | N | 85.3 | Confident | 82.8 | Confident | 50 Ų | 50 | 92.5 Ų | 92.5 | 27% | 0.267 | 51% | 0.506 | S | S | . | . | trans | -87 | 93.1 | 173.5 | -168.9 | -39 | 0 | 0 | 0 | 110.3 | Q95 R96 K110 | N93-Q95 PolarHBondContact O-N 3.27Å; N93-Q95 WeakPolarHBondContact OD1-CB 3.43Å; N93-Q95 PolarHBondContact OD1-N 2.95Å; N93-R96 PolarHBondContact O-N 3.3Å; N93-R96 PolarHBondContact OD1-N 3.31Å; N93-K110 WeakPolarHBondContact CB-O 3.41Å; N93-K110 PolarHBondContact N-O 2.95Å | ||
| 94 | L | 86.1 | Confident | 84 | Confident | 128 Ų | 128 | 98.6 Ų | 98.6 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -64.4 | -25.4 | -177.8 | -61.2 | -179.2 | 0 | 0 | 0 | 113.8 | P92 R96 C97 | P92-L94 PolarHBondContact O-N 3.14Å; L94-R96 PolarHBondContact O-N 3.32Å; L94-C97 VanDerWaalsContact CA-SG 3.55Å |
| 95 | Q | 86.8 | Confident | 85 | Confident | 181 Ų | 181 | 97.3 Ų | 97.3 | 85% | 0.846 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -73.6 | -16.8 | 179.4 | -58.6 | -61.5 | -35.2 | 0 | 0 | 112.6 | N93 | N93-Q95 PolarHBondContact O-N 3.27Å; N93-Q95 WeakPolarHBondContact OD1-CB 3.43Å; N93-Q95 PolarHBondContact OD1-N 2.95Å |
| 96 | R | 84.2 | Confident | 86 | Confident | 174 Ų | 174 | 98.2 Ų | 98.2 | 66% | 0.657 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -111.8 | 18.7 | -178.9 | -65.1 | -178.8 | 178.4 | 172.6 | -0.7 | 112.7 | N93 L94 | N93-R96 PolarHBondContact O-N 3.3Å; N93-R96 PolarHBondContact OD1-N 3.31Å; L94-R96 PolarHBondContact O-N 3.32Å |
| 97 | C | 90.9 | Very high | 86.5 | Confident | 33 Ų | 33 | 103.3 Ų | 103.3 | 22% | 0.223 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 125.1 | 176.1 | -63 | 0 | 0 | 0 | 0 | 110.7 | L94 F107 Q108 C109 | L94-C97 VanDerWaalsContact CA-SG 3.55Å; C97-F107 HydrophobicContact CB-CB 4.35Å; C97-F107 HydrophobicContact CB-CD1 4.49Å; C97-Q108 CarbonylContact C-O 3.59Å; C97-Q108 VanDerWaalsContact CA-O 3.3Å; C97-Q108 WeakPolarHBondContact CA-O 3.41Å; C97-C109 HydrophobicContact CB-CB 4.13Å; C97-C109 WeakPolarHBondContact CB-SG 3.35Å; C97-C109 WeakPolarHBondContact SG-CB 3.4Å; C97-C109 CovalentContact SG-SG 2.02Å; C97-C109 PolarHBondContact SG-SG 3.4Å |
| 98 | E | 92.2 | Very high | 87 | Confident | 147 Ų | 147 | 105.2 Ų | 105.2 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 140.2 | 173.9 | -69.1 | 178.2 | -175.8 | 0 | 0 | 109.7 | L100 F107 Q108 | E98-L100 PolarHBondContact O-N 2.59Å; E98-F107 CarbonylContact O-C 3.59Å; E98-F107 WeakPolarHBondContact O-CA 3.09Å; E98-Q108 PolarHBondContact N-O 3.41Å; E98-Q108 PolarHBondContact O-N 2.93Å |
| 99 | R | 90.4 | Very high | 87.4 | Confident | 171 Ų | 171 | 101.8 Ų | 101.8 | 65% | 0.645 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 123.4 | 176.9 | -175 | 176.4 | 171 | 175.4 | -1.4 | 109.3 | F107 | R99-F107 HydrophobicContact CB-CD1 3.96Å; R99-F107 HydrophobicContact CB-CE1 3.73Å; R99-F107 HydrophobicContact CB-CZ 4.34Å; R99-F107 HydrophobicContact CG-CE1 4.2Å; R99-F107 HydrophobicContact CG-CZ 4.32Å |
| 100 | L | 91.5 | Very high | 87.8 | Confident | 61 Ų | 61 | 105.1 Ų | 105.1 | 32% | 0.319 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 135.8 | 178.7 | -160.9 | 63 | 0 | 0 | 0 | 109.4 | E98 D102 T106 | E98-L100 PolarHBondContact O-N 2.59Å; L100-D102 WeakPolarHBondContact CD2-OD2 3.47Å; L100-D102 WeakPolarHBondContact CG-OD2 3.49Å; L100-D102 PolarHBondContact O-N 3.27Å; L100-T106 PolarHBondContact N-O 3.08Å |
| 101 | P | 84.1 | Confident | 88.1 | Confident | 123 Ų | 123 | 103.7 Ų | 103.7 | 80% | 0.799 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -79.1 | 37 | -173.8 | 34 | -35.3 | 0 | 0 | 0 | 113 | G103 | P101-G103 VanDerWaalsContact C-N 3.31Å; P101-G103 PolarHBondContact O-N 2.96Å |
| 102 | D | 87.5 | Confident | 87.9 | Confident | 90 Ų | 90 | 106.9 Ų | 106.9 | 48% | 0.481 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -88.7 | 2.1 | -174.6 | -66 | -8.7 | 0 | 0 | 0 | 113.1 | L100 R104 | L100-D102 WeakPolarHBondContact CD2-OD2 3.47Å; L100-D102 WeakPolarHBondContact CG-OD2 3.49Å; L100-D102 PolarHBondContact O-N 3.27Å; D102-R104 PolarHBondContact O-N 3.45Å |
| 103 | G | 82.5 | Confident | 87.9 | Confident | 74 Ų | 74 | 107.2 Ų | 107.2 | 76% | 0.763 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 69 | -7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P101 | P101-G103 VanDerWaalsContact C-N 3.31Å; P101-G103 PolarHBondContact O-N 2.96Å |
| 104 | R | 87.9 | Confident | 87.9 | Confident | 214 Ų | 214 | 110.1 Ų | 110.1 | 81% | 0.808 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -89.9 | -0.2 | -175.8 | -64.8 | 175.1 | -170.4 | -136.2 | 1.6 | 114.6 | D102 T106 | D102-R104 PolarHBondContact O-N 3.45Å; R104-T106 VanDerWaalsContact C-N 3.28Å; R104-T106 HydrophobicContact CB-CG2 4.1Å; R104-T106 PolarHBondContact O-N 3.3Å |
| 105 | G | 84.9 | Confident | 87.8 | Confident | 36 Ų | 36 | 107.4 Ų | 107.4 | 37% | 0.371 | 55% | 0.548 | S | S | . | . | trans | 68.1 | 26.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 106 | T | 91.3 | Very high | 87.6 | Confident | 58 Ų | 58 | 99.2 Ų | 99.2 | 36% | 0.356 | 51% | 0.511 | S | S | . | . | trans | -82.6 | 145.1 | 179.5 | 43.8 | 0 | 0 | 0 | 0 | 111.1 | L100 R104 | L100-T106 PolarHBondContact N-O 3.08Å; R104-T106 VanDerWaalsContact C-N 3.28Å; R104-T106 HydrophobicContact CB-CG2 4.1Å; R104-T106 PolarHBondContact O-N 3.3Å | ||
| 107 | F | 89.2 | Confident | 87.5 | Confident | 133 Ų | 133 | 95.2 Ų | 95.2 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.3 | 176.6 | -69 | -95.2 | 0 | 0 | 0 | 109.8 | C97 E98 R99 | C97-F107 HydrophobicContact CB-CB 4.35Å; C97-F107 HydrophobicContact CB-CD1 4.49Å; E98-F107 CarbonylContact O-C 3.59Å; E98-F107 WeakPolarHBondContact O-CA 3.09Å; R99-F107 HydrophobicContact CB-CD1 3.96Å; R99-F107 HydrophobicContact CB-CE1 3.73Å; R99-F107 HydrophobicContact CB-CZ 4.34Å; R99-F107 HydrophobicContact CG-CE1 4.2Å; R99-F107 HydrophobicContact CG-CZ 4.32Å |
| 108 | Q | 90.8 | Very high | 86.8 | Confident | 127 Ų | 127 | 102.3 Ų | 102.3 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.5 | 173.6 | -175.3 | 176.3 | 11.5 | 0 | 0 | 108.9 | C97 E98 | C97-Q108 CarbonylContact C-O 3.59Å; C97-Q108 VanDerWaalsContact CA-O 3.3Å; C97-Q108 WeakPolarHBondContact CA-O 3.41Å; E98-Q108 PolarHBondContact N-O 3.41Å; E98-Q108 PolarHBondContact O-N 2.93Å |
| 109 | C | 90.6 | Very high | 85.8 | Confident | 54 Ų | 54 | 98.6 Ų | 98.6 | 37% | 0.365 | 52% | 0.515 | S | S | . | . | trans | -117.1 | 146.4 | -178.2 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | C97 | C97-C109 HydrophobicContact CB-CB 4.13Å; C97-C109 WeakPolarHBondContact CB-SG 3.35Å; C97-C109 WeakPolarHBondContact SG-CB 3.4Å; C97-C109 CovalentContact SG-SG 2.02Å; C97-C109 PolarHBondContact SG-SG 3.4Å | ||
| 110 | K | 89.2 | Confident | 85.2 | Confident | 162 Ų | 162 | 93.7 Ų | 93.7 | 70% | 0.704 | 51% | 0.51 | S | S | * | . | trans | -87.4 | 142.4 | 166.1 | -66.4 | -177.4 | -179.7 | 176.2 | 0 | 109.1 | N93 | N93-K110 WeakPolarHBondContact CB-O 3.41Å; N93-K110 PolarHBondContact N-O 2.95Å | ||
| 111 | A | 89 | Confident | 84.4 | Confident | 47 Ų | 47 | 94 Ų | 94 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 145.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V90 A91 P92 | V90-A111 HydrophobicContact CG1-CB 4.01Å; A91-A111 WeakPolarHBondContact O-CA 3.46Å; P92-A111 HydrophobicContact CB-CB 4.34Å |
| 112 | D | 86.5 | Confident | 83.7 | Confident | 106 Ų | 106 | 90.7 Ų | 90.7 | 57% | 0.567 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.9 | 167.2 | -63.3 | -44.8 | 0 | 0 | 0 | 108.1 | A91 F114 | A91-D112 PolarHBondContact N-O 2.92Å; A91-D112 PolarHBondContact O-N 3.41Å; D112-F114 HydrophobicContact CB-CE2 4.08Å; D112-F114 HydrophobicContact CB-CZ 4.23Å |
| 113 | V | 85.6 | Confident | 82.8 | Confident | 83 Ų | 83 | 96.5 Ų | 96.5 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.1 | -177 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | V87 V90 L115 | V87-V113 HydrophobicContact CG1-CG1 4.08Å; V90-V113 HydrophobicContact CG1-CG2 4.42Å; V90-V113 HydrophobicContact CG2-CG1 4.44Å; V113-L115 HydrophobicContact CG1-CD2 3.83Å; V113-L115 HydrophobicContact CG1-CG 4.3Å |
| 114 | F | 85.6 | Confident | 81.8 | Confident | 111 Ų | 111 | 96.7 Ų | 96.7 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.3 | 179.2 | -60.7 | -84.3 | 0 | 0 | 0 | 109.7 | Q88 D89 A91 D112 | Q88-F114 PolarHBondContact N-O 3Å; D89-F114 HydrophobicContact CB-CB 4.44Å; D89-F114 HydrophobicContact CB-CD2 4.23Å; D89-F114 PolarHBondContact N-O 2.97Å; D89-F114 PolarHBondContact O-N 3.4Å; A91-F114 HydrophobicContact CB-CE2 4.41Å; D112-F114 HydrophobicContact CB-CE2 4.08Å; D112-F114 HydrophobicContact CB-CZ 4.23Å |
| 115 | L | 84.2 | Confident | 80 | Confident | 70 Ų | 70 | 96.1 Ų | 96.1 | 37% | 0.366 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.2 | -176.8 | -58.3 | 177.6 | 0 | 0 | 0 | 109.3 | L80 V85 C86 V87 V113 | L80-L115 HydrophobicContact CD1-CD1 4.5Å; V85-L115 HydrophobicContact CG1-CB 3.82Å; V85-L115 HydrophobicContact CG1-CD1 3.9Å; V85-L115 HydrophobicContact CG1-CD2 4.13Å; V85-L115 HydrophobicContact CG1-CG 4.16Å; C86-L115 CarbonylContact O-C 3.51Å; C86-L115 WeakPolarHBondContact O-CA 3.4Å; V87-L115 HydrophobicContact CB-CD2 4.23Å; V87-L115 HydrophobicContact CG2-CD2 3.7Å; V113-L115 HydrophobicContact CG1-CD2 3.83Å; V113-L115 HydrophobicContact CG1-CG 4.3Å |
| 116 | S | 81.4 | Confident | 79.8 | Confident | 10 Ų | 10 | 99.1 Ų | 99.1 | 7% | 0.07 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 141.2 | 164.4 | -175.7 | 0 | 0 | 0 | 0 | 110 | V85 C86 R118 D121 | V85-S116 WeakPolarHBondContact CA-O 3.04Å; C86-S116 PolarHBondContact N-O 3.39Å; C86-S116 PolarHBondContact O-N 3Å; S116-R118 PolarHBondContact OG-N 3.33Å; S116-R118 VanDerWaalsContact OG-N 3.11Å; S116-D121 PolarHBondContact OG-OD2 2.62Å |
| 117 | L | 82.4 | Confident | 79.2 | Confident | 89 Ų | 89 | 101.3 Ų | 101.3 | 47% | 0.466 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -94.2 | -2.6 | 173.2 | -56.2 | 177.3 | 0 | 0 | 0 | 111.8 | L80 L83 A84 V85 | L80-L117 HydrophobicContact CD2-CD2 3.73Å; L83-L117 HydrophobicContact CB-CD2 4.32Å; L83-L117 HydrophobicContact CD1-CD1 4.03Å; L83-L117 HydrophobicContact CD1-CD2 4.08Å; L83-L117 HydrophobicContact CD1-CG 4.48Å; A84-L117 CarbonylContact O-C 3.56Å; V85-L117 HydrophobicContact CB-CD2 4.47Å; V85-L117 HydrophobicContact CG1-CD2 4.36Å; V85-L117 HydrophobicContact CG2-CD2 3.65Å |
| 118 | R | 76.3 | Confident | 78.6 | Confident | 182 Ų | 182 | 99.5 Ų | 99.5 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | trans | -100.5 | 119.8 | 179.7 | -64.2 | -178.6 | 175.8 | -165.6 | -0.2 | 109.1 | S116 A120 D121 | S116-R118 PolarHBondContact OG-N 3.33Å; S116-R118 VanDerWaalsContact OG-N 3.11Å; R118-A120 PolarHBondContact O-N 3.04Å; R118-D121 WeakPolarHBondContact CB-OD2 3.35Å; R118-D121 PolarHBondContact O-N 3.44Å | ||
| 119 | S | 70.6 | Confident | 77.9 | Confident | 70 Ų | 70 | 97.9 Ų | 97.9 | 49% | 0.49 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -20.4 | 178.8 | 57.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 120 | A | 78.4 | Confident | 77.1 | Confident | 67 Ų | 67 | 100.6 Ų | 100.6 | 55% | 0.554 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -35 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R118 C122 R123 | R118-A120 PolarHBondContact O-N 3.04Å; A120-C122 PolarHBondContact O-N 3.21Å; A120-R123 PolarHBondContact O-N 3.49Å |
| 121 | D | 73.5 | Confident | 76.3 | Confident | 68 Ų | 68 | 96.5 Ų | 96.5 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -65.9 | -22.8 | -176.3 | -59.6 | -11.3 | 0 | 0 | 0 | 111.7 | S116 R118 | S116-D121 PolarHBondContact OG-OD2 2.62Å; R118-D121 WeakPolarHBondContact CB-OD2 3.35Å; R118-D121 PolarHBondContact O-N 3.44Å |
| 122 | C | 70.5 | Confident | 75.4 | Confident | 54 Ų | 54 | 100.1 Ų | 100.1 | 37% | 0.365 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -100.2 | 12.1 | -176.8 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | C86 A120 | C86-C122 HydrophobicContact CB-CB 3.54Å; C86-C122 WeakPolarHBondContact CB-SG 3.34Å; C86-C122 WeakPolarHBondContact SG-CB 3.46Å; C86-C122 CovalentContact SG-SG 1.99Å; C86-C122 PolarHBondContact SG-SG 2.82Å; A120-C122 PolarHBondContact O-N 3.21Å |
| 123 | R | 68.8 | Low | 74.6 | Confident | 211 Ų | 211 | 99.6 Ų | 99.6 | 80% | 0.796 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -94.4 | -1.8 | 169.9 | -70.4 | -176.6 | -175 | 177 | 1.2 | 113.2 | A120 | A120-R123 PolarHBondContact O-N 3.49Š|
| 124 | A | 61.5 | Low | 73.6 | Confident | 78 Ų | 78 | 101 Ų | 101 | 65% | 0.645 | 55% | 0.55 | S | S | * | * | trans | -79.2 | 135 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 125 | P | 50.6 | Low | 72.6 | Confident | 202 Ų | 202 | 100.1 Ų | 100.1 | 100% | 1.312 | 56% | 0.556 | S | S | * | * | trans | -74.9 | 0 | -179.8 | 31.4 | -35.1 | 0 | 0 | 0 | 113.7 |
Retrieved 125 of 125 residues in 48.8 ms
(Link to these results)