| 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 | 57 | Low | 55.6 | Low | 225 Ų | 225 | 139.7 Ų | 139.7 | 100% | 1.108 | 72% | 0.722 | S | S | * | * | 0 | -13.4 | 0 | -157.5 | 159.4 | 171.7 | 0 | 0 | 113.7 | |||||
| 2 | F | 50.9 | Low | 55.2 | Low | 159 Ų | 159 | 137.3 Ų | 137.3 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | trans | -127.1 | 6.1 | 178.5 | -57.8 | -77.3 | 0 | 0 | 0 | 114.7 | N4 | F2-N4 PolarHBondContact O-N 3.28Š| ||
| 3 | G | 48.3 | Very low | 54.7 | Low | 80 Ų | 80 | 136.7 Ų | 136.7 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 9.3 | -161.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 4 | N | 59.3 | Low | 54.2 | Low | 123 Ų | 123 | 131.3 Ų | 131.3 | 66% | 0.658 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.6 | 18.6 | -174.7 | 51.3 | -19.6 | 0 | 0 | 0 | 112.8 | F2 F6 | F2-N4 PolarHBondContact O-N 3.28Å; N4-F6 VanDerWaalsContact C-N 3.35Å |
| 5 | L | 60.7 | Low | 53.9 | Low | 104 Ų | 104 | 129.7 Ų | 129.7 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -80.7 | -16.6 | -179.3 | -165.8 | 65.4 | 0 | 0 | 0 | 113.2 | ||
| 6 | F | 57.1 | Low | 53.9 | Low | 119 Ų | 119 | 126.8 Ų | 126.8 | 52% | 0.522 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -114.5 | -0.2 | 179.3 | -53.9 | -71.1 | 0 | 0 | 0 | 113 | N4 E8 Y51 | N4-F6 VanDerWaalsContact C-N 3.35Å; F6-E8 VanDerWaalsContact C-N 3.35Å; F6-Y51 HydrophobicContact CD1-CE2 4.24Å; F6-Y51 HydrophobicContact CE1-CD2 4.23Å; F6-Y51 AromaticContact CE1-CE2 3.75Å; F6-Y51 HydrophobicContact CE1-CE2 3.75Å |
| 7 | E | 56.6 | Low | 53.6 | Low | 135 Ų | 135 | 129.9 Ų | 129.9 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | trans | -100.9 | 56.9 | 174.4 | -78.4 | -67 | 166.8 | 0 | 0 | 108.9 | ||||
| 8 | E | 54.8 | Low | 53.2 | Low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -95.3 | 92.9 | 164.3 | -72 | 178.3 | 177.2 | 0 | 0 | 106.7 | F6 | F6-E8 VanDerWaalsContact C-N 3.35Š|
| 9 | D | 55.8 | Low | 53 | Low | 139 Ų | 139 | 131.2 Ų | 131.2 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | 47.7 | 72.6 | 161.5 | -60.3 | -41.2 | 0 | 0 | 0 | 116.3 | S11 | D9-S11 PolarHBondContact O-N 2.71Š| ||
| 10 | Y | 56.5 | Low | 52.7 | Low | 192 Ų | 192 | 136.3 Ų | 136.3 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | trans | -61.6 | 4.3 | 158.7 | -84.5 | -86.7 | 0 | 0 | 0 | 113.6 | S12 | Y10-S12 PolarHBondContact O-N 2.99Š| ||
| 11 | S | 54.5 | Low | 52.5 | Low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -88.9 | 96.3 | 174.7 | -164.2 | 0 | 0 | 0 | 0 | 110 | D9 | D9-S11 PolarHBondContact O-N 2.71Š|
| 12 | S | 51.1 | Low | 52.3 | Low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | 93.1 | 45.3 | 165.3 | -142.3 | 0 | 0 | 0 | 0 | 117.7 | Y10 | Y10-S12 PolarHBondContact O-N 2.99Š| ||
| 13 | V | 49 | Very low | 52.4 | Low | 130 Ų | 130 | 134.4 Ų | 134.4 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | trans | -92.6 | 89 | 135.8 | -169.4 | 0 | 0 | 0 | 0 | 106.6 | S15 | V13-S15 PolarHBondContact O-N 3.45Å; V13-S15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | S | 47.2 | Very low | 52.7 | Low | 61 Ų | 61 | 137.9 Ų | 137.9 | 43% | 0.427 | 73% | 0.728 | S | S | . | * | trans | -40.9 | 123.5 | 167.2 | 173.6 | 0 | 0 | 0 | 0 | 109.7 | S16 | S14-S16 PolarHBondContact O-N 2.96Å; S14-S16 WeakPolarHBondContact OG-CB 3.47Å; S14-S16 PolarHBondContact OG-N 3.02Å; S14-S16 VanDerWaalsContact OG-N 3.17Å; S14-S16 PolarHBondContact OG-OG 3.05Å | ||
| 15 | S | 50.5 | Low | 52.3 | Low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -57.8 | 7.2 | 168.5 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | V13 | V13-S15 PolarHBondContact O-N 3.45Å; V13-S15 VanDerWaalsContact O-N 3.13Å |
| 16 | S | 53 | Low | 52.1 | Low | 83 Ų | 83 | 140 Ų | 140 | 58% | 0.58 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -89.2 | -0.8 | -179 | 74 | 0 | 0 | 0 | 0 | 116.2 | S14 | S14-S16 PolarHBondContact O-N 2.96Å; S14-S16 WeakPolarHBondContact OG-CB 3.47Å; S14-S16 PolarHBondContact OG-N 3.02Å; S14-S16 VanDerWaalsContact OG-N 3.17Å; S14-S16 PolarHBondContact OG-OG 3.05Å |
| 17 | Q | 49.4 | Very low | 52 | Low | 180 Ų | 180 | 142.5 Ų | 142.5 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -96.1 | 3.5 | 170.2 | -72.3 | -165.2 | -8.5 | 0 | 0 | 114.9 | G19 | Q17-G19 PolarHBondContact O-N 3.46Š|
| 18 | Y | 45.9 | Very low | 51.9 | Low | 219 Ų | 219 | 137.1 Ų | 137.1 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -84.8 | 14.7 | 164.5 | -65.6 | -75.4 | 0 | 0 | 0 | 113.1 | ||
| 19 | G | 49.5 | Very low | 52.2 | Low | 65 Ų | 65 | 136.2 Ų | 136.2 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -136.6 | 32.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q17 | Q17-G19 PolarHBondContact O-N 3.46Š|
| 20 | R | 46.5 | Very low | 52.8 | Low | 234 Ų | 234 | 136.9 Ų | 136.9 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -141.9 | 101.7 | 166.5 | -144.5 | 171 | -169.1 | -175.6 | 3.4 | 110.9 | K22 | R20-K22 VanDerWaalsContact C-N 3.25Å; R20-K22 PolarHBondContact O-N 3.23Å |
| 21 | G | 49.2 | Very low | 53.6 | Low | 86 Ų | 86 | 131.3 Ų | 131.3 | 89% | 0.887 | 71% | 0.712 | S | S | * | * | trans | -55.6 | 78.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 22 | K | 52.6 | Low | 54.8 | Low | 191 Ų | 191 | 129.2 Ų | 129.2 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | trans | -85.5 | 111.5 | 145.8 | -68.8 | -173.7 | 176.7 | 178.9 | 0 | 104.3 | R20 L24 | R20-K22 VanDerWaalsContact C-N 3.25Å; R20-K22 PolarHBondContact O-N 3.23Å; K22-L24 VanDerWaalsContact C-N 3.26Å; K22-L24 PolarHBondContact O-N 3.35Å | ||
| 23 | K | 53.6 | Low | 56.3 | Low | 204 Ų | 204 | 127.7 Ų | 127.7 | 89% | 0.887 | 69% | 0.69 | S | S | * | * | trans | -49.9 | 100.3 | 167.3 | -69.4 | -169.4 | 179.2 | -170.8 | 0 | 106.5 | K25 | K23-K25 VanDerWaalsContact C-N 3.35Å; K23-K25 PolarHBondContact O-N 3.2Å | ||
| 24 | L | 53.6 | Low | 57.9 | Low | 152 Ų | 152 | 124.7 Ų | 124.7 | 80% | 0.796 | 67% | 0.673 | S | S | * | * | trans | -59.7 | 109.3 | 171.6 | -160.3 | 94.7 | 0 | 0 | 0 | 102.8 | K22 T26 | K22-L24 VanDerWaalsContact C-N 3.26Å; K22-L24 PolarHBondContact O-N 3.35Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 3.21Å | ||
| 25 | K | 52.2 | Low | 59.6 | Low | 169 Ų | 169 | 130.3 Ų | 130.3 | 74% | 0.735 | 69% | 0.685 | S | S | * | * | trans | -54.8 | 107.2 | 173.3 | -88.7 | -177.1 | 176.6 | 174.1 | 0 | 104.8 | K23 K27 | K23-K25 VanDerWaalsContact C-N 3.35Å; K23-K25 PolarHBondContact O-N 3.2Å; K25-K27 HydrophobicContact CB-CB 4.42Å; K25-K27 HydrophobicContact CB-CG 4.1Å; K25-K27 HydrophobicContact CD-CD 4.31Å; K25-K27 PolarHBondContact O-N 3.49Å | ||
| 26 | T | 54.9 | Low | 60.8 | Low | 103 Ų | 103 | 133.3 Ų | 133.3 | 63% | 0.632 | 69% | 0.687 | S | S | * | * | trans | -66.5 | 38.3 | 172.6 | 30.2 | 0 | 0 | 0 | 0 | 110.8 | L24 G28 L29 | L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 3.21Å; T26-G28 PolarHBondContact O-N 2.88Å; T26-G28 VanDerWaalsContact O-N 3.09Å; T26-L29 HydrophobicContact CG2-CD1 3.57Å; T26-L29 HydrophobicContact CG2-CG 4.12Å | ||
| 27 | K | 54.6 | Low | 62 | Low | 172 Ų | 172 | 139 Ų | 139 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 36.7 | 178.5 | -73.2 | -159.7 | 172.4 | -154.2 | 0 | 111.8 | K25 | K25-K27 HydrophobicContact CB-CB 4.42Å; K25-K27 HydrophobicContact CB-CG 4.1Å; K25-K27 HydrophobicContact CD-CD 4.31Å; K25-K27 PolarHBondContact O-N 3.49Å |
| 28 | G | 56.5 | Low | 63.6 | Low | 21 Ų | 21 | 134 Ų | 134 | 22% | 0.216 | 68% | 0.684 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 171.4 | 40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | T26 E30 R44 | T26-G28 PolarHBondContact O-N 2.88Å; T26-G28 VanDerWaalsContact O-N 3.09Å; G28-E30 VanDerWaalsContact C-N 3.28Å; G28-R44 PolarHBondContact O-NH2 2.61Å |
| 29 | L | 60.8 | Low | 65.4 | Low | 137 Ų | 137 | 130.1 Ų | 130.1 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | trans | -81.3 | -15.2 | 159.5 | -64.5 | -180 | 0 | 0 | 0 | 111.4 | T26 | T26-L29 HydrophobicContact CG2-CD1 3.57Å; T26-L29 HydrophobicContact CG2-CG 4.12Å | ||
| 30 | E | 68 | Low | 67.1 | Low | 154 Ų | 154 | 130.1 Ų | 130.1 | 72% | 0.72 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -73.6 | 130.2 | 173.5 | -164.1 | -157.3 | 169.1 | 0 | 0 | 109.2 | G28 | G28-E30 VanDerWaalsContact C-N 3.28Š|
| 31 | P | 72.4 | Confident | 69 | Low | 74 Ų | 74 | 121.2 Ų | 121.2 | 48% | 0.481 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 149.1 | 167.7 | 24.6 | -32.8 | 0 | 0 | 0 | 110 | A33 | P31-A33 PolarHBondContact O-N 2.74Š|
| 32 | P | 80.8 | Confident | 70.8 | Confident | 61 Ų | 61 | 118.4 Ų | 118.4 | 40% | 0.396 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -47.3 | 143.4 | 166.8 | -23.7 | 31.8 | 0 | 0 | 0 | 111 | S41 G42 | P32-S41 WeakPolarHBondContact O-CB 3.37Å; P32-S41 PolarHBondContact O-OG 2.77Å; P32-G42 VanDerWaalsContact CD-O 3.24Å; P32-G42 WeakPolarHBondContact CD-O 3.43Å |
| 33 | A | 81.8 | Confident | 72.5 | Confident | 78 Ų | 78 | 113.1 Ų | 113.1 | 65% | 0.645 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 138.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | P31 | P31-A33 PolarHBondContact O-N 2.74Š|
| 34 | P | 83.6 | Confident | 74.1 | Confident | 68 Ų | 68 | 110.3 Ų | 110.3 | 44% | 0.442 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -56 | 147.5 | 178.3 | -24.1 | 33.5 | 0 | 0 | 0 | 111.6 | E36 S41 | P34-E36 PolarHBondContact O-N 2.73Å; P34-S41 WeakPolarHBondContact CA-OG 3.19Å |
| 35 | R | 83.2 | Confident | 75.6 | Confident | 178 Ų | 178 | 107.2 Ų | 107.2 | 67% | 0.672 | 56% | 0.555 | S | S | * | * | B | Isolated β-bridge | trans | -74.1 | 123.6 | 170.6 | -62.9 | -179.4 | -172.5 | -155.3 | 3 | 108.9 | F37 T38 N39 L40 | R35-F37 PolarHBondContact O-N 2.97Å; R35-T38 PolarHBondContact O-N 2.8Å; R35-N39 PolarHBondContact O-N 2.92Å; R35-L40 PolarHBondContact N-O 3.09Å |
| 36 | E | 75.1 | Confident | 77.2 | Confident | 170 Ų | 170 | 107.3 Ų | 107.3 | 79% | 0.794 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.2 | -41.1 | -172.9 | -58.8 | -63.6 | 149.2 | 0 | 0 | 114.7 | P34 | P34-E36 PolarHBondContact O-N 2.73Š|
| 37 | F | 78.8 | Confident | 78.5 | Confident | 203 Ų | 203 | 105 Ų | 105 | 89% | 0.89 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -15.6 | -173.3 | -61.7 | -73 | 0 | 0 | 0 | 114.9 | R35 | R35-F37 PolarHBondContact O-N 2.97Š|
| 38 | T | 81.9 | Confident | 79.8 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 46% | 0.46 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.1 | -7.6 | -171.9 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | R35 L40 | R35-T38 PolarHBondContact O-N 2.8Å; T38-L40 WeakPolarHBondContact O-CG 3.24Å; T38-L40 PolarHBondContact O-N 3.35Å |
| 39 | N | 83.3 | Confident | 81.4 | Confident | 137 Ų | 137 | 101 Ų | 101 | 73% | 0.733 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.2 | 21.3 | -172.2 | -64.1 | -55.5 | 0 | 0 | 0 | 113.5 | R35 | R35-N39 PolarHBondContact O-N 2.92Š|
| 40 | L | 85.8 | Confident | 82.7 | Confident | 66 Ų | 66 | 97.8 Ų | 97.8 | 35% | 0.346 | 54% | 0.543 | S | S | . | . | B | Isolated β-bridge | trans | -96.5 | 133.4 | -179.8 | -62.1 | 177.9 | 0 | 0 | 0 | 110.4 | R35 T38 F61 | R35-L40 PolarHBondContact N-O 3.09Å; T38-L40 WeakPolarHBondContact O-CG 3.24Å; T38-L40 PolarHBondContact O-N 3.35Å; L40-F61 HydrophobicContact CD1-CE1 4.13Å; L40-F61 HydrophobicContact CD1-CZ 3.55Å; L40-F61 HydrophobicContact CD2-CE1 4.06Å; L40-F61 HydrophobicContact CD2-CZ 3.63Å; L40-F61 HydrophobicContact CG-CZ 4.21Å |
| 41 | S | 85.8 | Confident | 83.7 | Confident | 46 Ų | 46 | 96.6 Ų | 96.6 | 32% | 0.322 | 53% | 0.533 | S | S | . | . | trans | -104.5 | 143.5 | 170.6 | -72.2 | 0 | 0 | 0 | 0 | 110.9 | P32 P34 | P32-S41 WeakPolarHBondContact O-CB 3.37Å; P32-S41 PolarHBondContact O-OG 2.77Å; P34-S41 WeakPolarHBondContact CA-OG 3.19Å | ||
| 42 | G | 87.3 | Confident | 84.5 | Confident | 28 Ų | 28 | 96.4 Ų | 96.4 | 29% | 0.289 | 53% | 0.527 | S | S | . | . | trans | -72.1 | 170.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | P32 | P32-G42 VanDerWaalsContact CD-O 3.24Å; P32-G42 WeakPolarHBondContact CD-O 3.43Å | ||
| 43 | I | 88.4 | Confident | 84.9 | Confident | 80 Ų | 80 | 94 Ų | 94 | 41% | 0.41 | 51% | 0.512 | S | S | . | . | trans | -109 | 128.4 | 170 | -60.8 | 171.7 | 0 | 0 | 0 | 107.4 | N45 L56 Q57 | I43-N45 PolarHBondContact O-N 3.27Å; I43-L56 HydrophobicContact CD1-CB 4.37Å; I43-L56 HydrophobicContact CD1-CD1 4.49Å; I43-Q57 HydrophobicContact CD1-CG 4.17Å | ||
| 44 | R | 86.9 | Confident | 85.2 | Confident | 144 Ų | 144 | 93.8 Ų | 93.8 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | trans | -76.9 | 120.8 | 178.8 | -167.5 | 172.2 | 72.2 | 167.9 | 4.7 | 109.6 | G28 Q46 | G28-R44 PolarHBondContact O-NH2 2.61Å; R44-Q46 PolarHBondContact O-N 3.01Å | ||
| 45 | N | 85.1 | Confident | 85.7 | Confident | 88 Ų | 88 | 94.3 Ų | 94.3 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | trans | -62.2 | 131.4 | 174.7 | -73.4 | -36 | 0 | 0 | 0 | 110.7 | I43 C50 S53 | I43-N45 PolarHBondContact O-N 3.27Å; N45-C50 VanDerWaalsContact OD1-CA 3.23Å; N45-C50 WeakPolarHBondContact OD1-CA 3.29Å; N45-S53 PolarHBondContact OD1-OG 2.9Å | ||
| 46 | Q | 85.7 | Confident | 86 | Confident | 170 Ų | 170 | 90 Ų | 90 | 79% | 0.794 | 49% | 0.494 | S | S | * | . | trans | -99.7 | 22 | 179.1 | -59.7 | -174.6 | 18.8 | 0 | 0 | 112.5 | R44 T49 | R44-Q46 PolarHBondContact O-N 3.01Å; Q46-T49 PolarHBondContact N-OG1 3.14Å | ||
| 47 | G | 83.1 | Confident | 86.8 | Confident | 56 Ų | 56 | 85.4 Ų | 85.4 | 58% | 0.577 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 84.7 | 131.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T49 | G47-T49 WeakPolarHBondContact O-CG2 2.99Å; G47-T49 PolarHBondContact O-N 3.19Å; G47-T49 PolarHBondContact O-OG1 2.91Å |
| 48 | G | 81.6 | Confident | 87.5 | Confident | 68 Ų | 68 | 79.9 Ų | 79.9 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 63.5 | -2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117 | Y51 | G48-Y51 WeakPolarHBondContact O-CD1 3.47Å; G48-Y51 WeakPolarHBondContact O-CE1 3.31Å |
| 49 | T | 89.5 | Confident | 87.9 | Confident | 41 Ų | 41 | 79.6 Ų | 79.6 | 25% | 0.252 | 45% | 0.451 | S | S | . | . | trans | -111.2 | 15.3 | -166.5 | 42.9 | 0 | 0 | 0 | 0 | 114.6 | Q46 G47 Y51 L52 S53 | Q46-T49 PolarHBondContact N-OG1 3.14Å; G47-T49 WeakPolarHBondContact O-CG2 2.99Å; G47-T49 PolarHBondContact O-N 3.19Å; G47-T49 PolarHBondContact O-OG1 2.91Å; T49-Y51 PolarHBondContact O-N 3.22Å; T49-L52 PolarHBondContact O-N 3.23Å; T49-S53 PolarHBondContact O-N 3.14Å; T49-S53 VanDerWaalsContact O-N 3.08Å; T49-S53 PolarHBondContact O-OG 3.39Å | ||
| 50 | C | 87.9 | Confident | 88.2 | Confident | 69 Ų | 69 | 77.4 Ų | 77.4 | 47% | 0.466 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.6 | -36.2 | -178.7 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | N45 L52 S53 S54 | N45-C50 VanDerWaalsContact OD1-CA 3.23Å; N45-C50 WeakPolarHBondContact OD1-CA 3.29Å; C50-L52 PolarHBondContact O-N 2.99Å; C50-S53 PolarHBondContact O-N 3.42Å; C50-S54 PolarHBondContact O-N 3.43Å; C50-S54 PolarHBondContact O-OG 3.43Å |
| 51 | Y | 89.3 | Confident | 88.4 | Confident | 128 Ų | 128 | 79.8 Ų | 79.8 | 50% | 0.502 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 175.1 | 68.2 | -96.7 | 0 | 0 | 0 | 111 | F6 G48 T49 S54 L55 | F6-Y51 HydrophobicContact CD1-CE2 4.24Å; F6-Y51 HydrophobicContact CE1-CD2 4.23Å; F6-Y51 AromaticContact CE1-CE2 3.75Å; F6-Y51 HydrophobicContact CE1-CE2 3.75Å; G48-Y51 WeakPolarHBondContact O-CD1 3.47Å; G48-Y51 WeakPolarHBondContact O-CE1 3.31Å; T49-Y51 PolarHBondContact O-N 3.22Å; Y51-S54 PolarHBondContact O-N 2.94Å; Y51-L55 WeakPolarHBondContact O-CB 3.09Å; Y51-L55 PolarHBondContact O-N 3.31Å |
| 52 | L | 89.4 | Confident | 88.7 | Confident | 71 Ų | 71 | 79.4 Ų | 79.4 | 37% | 0.372 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.7 | -42.5 | -179.4 | -178 | 60.5 | 0 | 0 | 0 | 110.7 | T49 C50 S54 L55 L56 | T49-L52 PolarHBondContact O-N 3.23Å; C50-L52 PolarHBondContact O-N 2.99Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-S54 PolarHBondContact O-N 3.22Å; L52-L55 PolarHBondContact O-N 2.92Å; L52-L56 HydrophobicContact CD1-CG 4.33Å; L52-L56 HydrophobicContact CG-CD1 4.22Å; L52-L56 HydrophobicContact CG-CG 4.44Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 VanDerWaalsContact O-CG 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.23Å; L52-L56 PolarHBondContact O-N 3.17Å |
| 53 | S | 88.8 | Confident | 88.7 | Confident | 11 Ų | 11 | 82.5 Ų | 82.5 | 8% | 0.077 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | N45 T49 C50 Q57 | N45-S53 PolarHBondContact OD1-OG 2.9Å; T49-S53 PolarHBondContact O-N 3.14Å; T49-S53 VanDerWaalsContact O-N 3.08Å; T49-S53 PolarHBondContact O-OG 3.39Å; C50-S53 PolarHBondContact O-N 3.42Å; S53-Q57 WeakPolarHBondContact O-CG 3.44Å; S53-Q57 PolarHBondContact O-N 2.73Å |
| 54 | S | 89.3 | Confident | 88.9 | Confident | 73 Ų | 73 | 85.7 Ų | 85.7 | 51% | 0.51 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 174.9 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | C50 Y51 L52 Q57 T58 | C50-S54 PolarHBondContact O-N 3.43Å; C50-S54 PolarHBondContact O-OG 3.43Å; Y51-S54 PolarHBondContact O-N 2.94Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-S54 PolarHBondContact O-N 3.22Å; S54-Q57 PolarHBondContact O-N 3.44Å; S54-T58 PolarHBondContact O-N 3Å; S54-T58 PolarHBondContact O-OG1 3.43Å; S54-T58 VanDerWaalsContact O-OG1 3.07Å |
| 55 | L | 93.1 | Very high | 88.8 | Confident | 79 Ų | 79 | 85.8 Ų | 85.8 | 41% | 0.414 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 177.3 | -179.9 | 63.5 | 0 | 0 | 0 | 111.9 | Y51 L52 Q57 T58 L59 | Y51-L55 WeakPolarHBondContact O-CB 3.09Å; Y51-L55 PolarHBondContact O-N 3.31Å; L52-L55 PolarHBondContact O-N 2.92Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; L55-Q57 PolarHBondContact O-N 3.34Å; L55-T58 WeakPolarHBondContact O-CB 3.47Å; L55-T58 PolarHBondContact O-N 3.02Å; L55-L59 HydrophobicContact CD1-CD1 4.49Å; L55-L59 HydrophobicContact CD1-CG 4.44Å; L55-L59 HydrophobicContact CG-CD1 4.27Å; L55-L59 WeakPolarHBondContact O-CG 3.48Å; L55-L59 PolarHBondContact O-N 3.49Å |
| 56 | L | 90.7 | Very high | 88.5 | Confident | 87 Ų | 87 | 87.4 Ų | 87.4 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 178.5 | -74 | 174.5 | 0 | 0 | 0 | 112 | I43 L52 L59 H60 | I43-L56 HydrophobicContact CD1-CB 4.37Å; I43-L56 HydrophobicContact CD1-CD1 4.49Å; L52-L56 HydrophobicContact CD1-CG 4.33Å; L52-L56 HydrophobicContact CG-CD1 4.22Å; L52-L56 HydrophobicContact CG-CG 4.44Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 VanDerWaalsContact O-CG 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.23Å; L52-L56 PolarHBondContact O-N 3.17Å; L56-L59 PolarHBondContact O-N 3.18Å; L56-H60 VanDerWaalsContact O-CB 3.29Å; L56-H60 WeakPolarHBondContact O-CB 3.47Å; L56-H60 PolarHBondContact O-N 3.07Å |
| 57 | Q | 90.9 | Very high | 87.7 | Confident | 73 Ų | 73 | 81.9 Ų | 81.9 | 34% | 0.341 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 176.7 | -73.6 | 171.2 | 13.2 | 0 | 0 | 111.5 | I43 S53 S54 L55 H60 F61 | I43-Q57 HydrophobicContact CD1-CG 4.17Å; S53-Q57 WeakPolarHBondContact O-CG 3.44Å; S53-Q57 PolarHBondContact O-N 2.73Å; S54-Q57 PolarHBondContact O-N 3.44Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; L55-Q57 PolarHBondContact O-N 3.34Å; Q57-H60 PolarHBondContact O-N 3.18Å; Q57-F61 WeakPolarHBondContact O-CD2 3.35Å; Q57-F61 PolarHBondContact O-N 3.22Å |
| 58 | T | 92.9 | Very high | 86.5 | Confident | 87 Ų | 87 | 89.6 Ų | 89.6 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59 | -49.8 | 174.4 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | S54 L55 H60 F61 T62 | S54-T58 PolarHBondContact O-N 3Å; S54-T58 PolarHBondContact O-OG1 3.43Å; S54-T58 VanDerWaalsContact O-OG1 3.07Å; L55-T58 WeakPolarHBondContact O-CB 3.47Å; L55-T58 PolarHBondContact O-N 3.02Å; T58-H60 VanDerWaalsContact C-N 3.3Å; T58-H60 PolarHBondContact O-N 3.05Å; T58-F61 PolarHBondContact O-N 3.44Å; T58-F61 VanDerWaalsContact O-N 3.14Å; T58-T62 PolarHBondContact O-N 3.16Å; T58-T62 PolarHBondContact O-OG1 3.23Å |
| 59 | L | 91.6 | Very high | 85.4 | Confident | 70 Ų | 70 | 91.7 Ų | 91.7 | 37% | 0.366 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 178.2 | -68.1 | 175.3 | 0 | 0 | 0 | 112 | L55 L56 T62 F65 | L55-L59 HydrophobicContact CD1-CD1 4.49Å; L55-L59 HydrophobicContact CD1-CG 4.44Å; L55-L59 HydrophobicContact CG-CD1 4.27Å; L55-L59 WeakPolarHBondContact O-CG 3.48Å; L55-L59 PolarHBondContact O-N 3.49Å; L56-L59 PolarHBondContact O-N 3.18Å; L59-T62 PolarHBondContact O-N 3.47Å; L59-F65 HydrophobicContact CD2-CD2 3.79Å; L59-F65 HydrophobicContact CD2-CE2 4.07Å; L59-F65 HydrophobicContact CD2-CG 4.31Å |
| 60 | H | 89 | Confident | 83.4 | Confident | 91 Ų | 91 | 93.5 Ų | 93.5 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 174.4 | -175.9 | -111.9 | 0 | 0 | 0 | 110.6 | L56 Q57 T58 T62 R66 | L56-H60 VanDerWaalsContact O-CB 3.29Å; L56-H60 WeakPolarHBondContact O-CB 3.47Å; L56-H60 PolarHBondContact O-N 3.07Å; Q57-H60 PolarHBondContact O-N 3.18Å; T58-H60 VanDerWaalsContact C-N 3.3Å; T58-H60 PolarHBondContact O-N 3.05Å; H60-T62 PolarHBondContact O-N 3.08Å; H60-R66 PolarHBondContact CD2-NE 3.28Å; H60-R66 VanDerWaalsContact CD2-NE 3.27Å; H60-R66 PolarHBondContact CE1-NH1 3.36Å; H60-R66 PolarHBondContact CE1-NH2 2.66Å; H60-R66 VanDerWaalsContact CG-NH2 3.3Å; H60-R66 PolarHBondContact ND1-NH2 3.17Å; H60-R66 PolarHBondContact NE2-NH1 2.9Å; H60-R66 PolarHBondContact NE2-NH2 3.13Å; H60-R66 PolarHBondContact O-NE 3.4Å; H60-R66 PolarHBondContact O-NH2 2.8Å |
| 61 | F | 89.8 | Confident | 81.5 | Confident | 115 Ų | 115 | 103 Ų | 103 | 50% | 0.504 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -76.3 | -0.6 | 178.8 | -72.1 | -68.5 | 0 | 0 | 0 | 115.1 | L40 Q57 T58 P63 | L40-F61 HydrophobicContact CD1-CE1 4.13Å; L40-F61 HydrophobicContact CD1-CZ 3.55Å; L40-F61 HydrophobicContact CD2-CE1 4.06Å; L40-F61 HydrophobicContact CD2-CZ 3.63Å; L40-F61 HydrophobicContact CG-CZ 4.21Å; Q57-F61 WeakPolarHBondContact O-CD2 3.35Å; Q57-F61 PolarHBondContact O-N 3.22Å; T58-F61 PolarHBondContact O-N 3.44Å; T58-F61 VanDerWaalsContact O-N 3.14Å; F61-P63 WeakPolarHBondContact O-CD 3Å |
| 62 | T | 92.2 | Very high | 81.1 | Confident | 39 Ų | 39 | 101.8 Ų | 101.8 | 24% | 0.239 | 54% | 0.542 | C | S | . | . | trans | -97.8 | 102.6 | 174.5 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | T58 L59 H60 E64 F65 | T58-T62 PolarHBondContact O-N 3.16Å; T58-T62 PolarHBondContact O-OG1 3.23Å; L59-T62 PolarHBondContact O-N 3.47Å; H60-T62 PolarHBondContact O-N 3.08Å; T62-E64 HydrophobicContact CG2-CB 4.41Å; T62-E64 WeakPolarHBondContact CG2-OE2 3.2Å; T62-E64 PolarHBondContact O-N 3.27Å; T62-E64 VanDerWaalsContact O-N 3.14Å; T62-F65 HydrophobicContact CG2-CD2 3.29Å; T62-F65 HydrophobicContact CG2-CE2 3.57Å; T62-F65 HydrophobicContact CG2-CG 4.31Å; T62-F65 PolarHBondContact O-N 2.89Å | ||
| 63 | P | 87.8 | Confident | 80.6 | Confident | 93 Ų | 93 | 103.4 Ų | 103.4 | 60% | 0.604 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -59.8 | -28.6 | -170.9 | 23.3 | -33.5 | 0 | 0 | 0 | 113.5 | F61 F65 R66 | F61-P63 WeakPolarHBondContact O-CD 3Å; P63-F65 PolarHBondContact O-N 3Å; P63-R66 PolarHBondContact O-N 2.71Å |
| 64 | E | 91.9 | Very high | 80.2 | Confident | 146 Ų | 146 | 108.6 Ų | 108.6 | 68% | 0.682 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -61.3 | -27.1 | 177.6 | -59.4 | 78.2 | -172.9 | 0 | 0 | 112.4 | T62 | T62-E64 HydrophobicContact CG2-CB 4.41Å; T62-E64 WeakPolarHBondContact CG2-OE2 3.2Å; T62-E64 PolarHBondContact O-N 3.27Å; T62-E64 VanDerWaalsContact O-N 3.14Å |
| 65 | F | 85 | Confident | 79.6 | Confident | 146 Ų | 146 | 110.6 Ų | 110.6 | 64% | 0.64 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -95.4 | -10 | -179.4 | -65.4 | -56.5 | 0 | 0 | 0 | 113.9 | L59 T62 P63 G67 | L59-F65 HydrophobicContact CD2-CD2 3.79Å; L59-F65 HydrophobicContact CD2-CE2 4.07Å; L59-F65 HydrophobicContact CD2-CG 4.31Å; T62-F65 HydrophobicContact CG2-CD2 3.29Å; T62-F65 HydrophobicContact CG2-CE2 3.57Å; T62-F65 HydrophobicContact CG2-CG 4.31Å; T62-F65 PolarHBondContact O-N 2.89Å; P63-F65 PolarHBondContact O-N 3Å; F65-G67 PolarHBondContact O-N 2.95Å |
| 66 | R | 79 | Confident | 78.8 | Confident | 122 Ų | 122 | 112.6 Ų | 112.6 | 46% | 0.46 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -76.2 | -9.4 | -179.9 | -76.4 | -156.6 | -173.9 | 175 | 22.2 | 114.5 | H60 P63 | H60-R66 PolarHBondContact CD2-NE 3.28Å; H60-R66 VanDerWaalsContact CD2-NE 3.27Å; H60-R66 PolarHBondContact CE1-NH1 3.36Å; H60-R66 PolarHBondContact CE1-NH2 2.66Å; H60-R66 VanDerWaalsContact CG-NH2 3.3Å; H60-R66 PolarHBondContact ND1-NH2 3.17Å; H60-R66 PolarHBondContact NE2-NH1 2.9Å; H60-R66 PolarHBondContact NE2-NH2 3.13Å; H60-R66 PolarHBondContact O-NE 3.4Å; H60-R66 PolarHBondContact O-NH2 2.8Å; P63-R66 PolarHBondContact O-N 2.71Å |
| 67 | G | 68.3 | Low | 78 | Confident | 54 Ų | 54 | 114.3 Ų | 114.3 | 56% | 0.557 | 60% | 0.6 | S | S | * | * | trans | 62.8 | 160.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 111 | F65 S69 | F65-G67 PolarHBondContact O-N 2.95Å; G67-S69 PolarHBondContact O-N 3.01Å | ||
| 68 | F | 58.3 | Low | 77.1 | Confident | 219 Ų | 219 | 117.3 Ų | 117.3 | 96% | 0.961 | 62% | 0.619 | S | S | * | * | trans | -65 | 73.7 | 169.3 | -83.8 | -93.9 | 0 | 0 | 0 | 110 | A70 | F68-A70 PolarHBondContact O-N 3.36Š| ||
| 69 | S | 58.1 | Low | 75.9 | Confident | 112 Ų | 112 | 119.6 Ų | 119.6 | 78% | 0.783 | 63% | 0.625 | S | S | * | * | trans | -87.1 | 77.2 | 154.4 | -155.5 | 0 | 0 | 0 | 0 | 105.4 | G67 | G67-S69 PolarHBondContact O-N 3.01Š| ||
| 70 | A | 48.9 | Very low | 74.6 | Confident | 79 Ų | 79 | 123.8 Ų | 123.8 | 65% | 0.653 | 65% | 0.647 | S | S | * | * | trans | -57.4 | 143.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | F68 | F68-A70 PolarHBondContact O-N 3.36Š| ||
| 71 | E | 46.4 | Very low | 73.2 | Confident | 269 Ų | 269 | 126.7 Ų | 126.7 | 100% | 1.257 | 67% | 0.667 | S | S | * | * | trans | -33.9 | 0 | 174 | -169.9 | -179.2 | 152.3 | 0 | 0 | 114.8 |
Retrieved 71 of 71 residues in 104.9 ms
(Link to these results)