| 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 | 40.1 | Very low | 45.9 | Very low | 231 Ų | 231 | 159.1 Ų | 159.1 | 100% | 1.138 | 74% | 0.74 | S | S | * | * | 0 | 63.6 | 0 | -158.9 | 169.7 | -172.9 | 0 | 0 | 106.3 | |||||
| 2 | F | 38.3 | Very low | 46.5 | Very low | 194 Ų | 194 | 153 Ų | 153 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | 49.7 | 120.2 | 69.4 | -85.8 | -73.5 | 0 | 0 | 0 | 112.8 | |||||
| 3 | F | 40.3 | Very low | 46.6 | Very low | 156 Ų | 156 | 154 Ų | 154 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | trans | 76.2 | 98.6 | 160 | -101.4 | -98.5 | 0 | 0 | 0 | 116.6 | ||||
| 4 | F | 46.4 | Very low | 47.1 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | 165 | 84.3 | 112.3 | -104 | -92 | 0 | 0 | 0 | 109.2 | |||||
| 5 | L | 48.1 | Very low | 47.5 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -121.3 | 143.3 | 145.7 | -98.7 | 124.3 | 0 | 0 | 0 | 106.8 | ||
| 6 | P | 45.3 | Very low | 47.7 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 44% | 0.442 | 67% | 0.671 | S | S | . | * | trans | -65 | 145.7 | -140 | 24 | -34.1 | 0 | 0 | 0 | 112.2 | T8 K9 | P6-T8 PolarHBondContact O-N 3.2Å; P6-K9 PolarHBondContact O-N 2.62Å | ||
| 7 | L | 51.1 | Low | 47.7 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 67% | 0.67 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 2.9 | 171.9 | -74.5 | 165.1 | 0 | 0 | 0 | 114 | ||
| 8 | T | 49.8 | Very low | 47.7 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -20.4 | 170.8 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | P6 T12 | P6-T8 PolarHBondContact O-N 3.2Å; T8-T12 PolarHBondContact O-OG1 2.81Å |
| 9 | K | 52.6 | Low | 47.8 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 69% | 0.691 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -26.1 | -177.3 | -137.4 | -174.7 | -175.1 | -174 | 0 | 114.7 | P6 T12 Y13 | P6-K9 PolarHBondContact O-N 2.62Å; K9-T12 PolarHBondContact O-OG1 3.37Å; K9-Y13 PolarHBondContact O-N 3.21Å |
| 10 | W | 44.1 | Very low | 47.8 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 72% | 0.723 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.6 | -29.1 | 174.5 | -86 | 91 | 0 | 0 | 0 | 112.8 | V14 | W10-V14 PolarHBondContact O-N 3Å |
| 11 | R | 49.5 | Very low | 47.9 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 71% | 0.709 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.9 | -26.6 | 178.2 | -157.3 | 174.7 | -179.1 | -97.3 | -0.1 | 112.8 | I15 | R11-I15 WeakPolarHBondContact O-CD1 3.14Å; R11-I15 VanDerWaalsContact O-CG1 3.25Å; R11-I15 WeakPolarHBondContact O-CG1 3.26Å |
| 12 | T | 53.1 | Low | 48.3 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 53% | 0.528 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -81.5 | -36.6 | 173.5 | 28.3 | 0 | 0 | 0 | 0 | 112.5 | T8 K9 I15 E16 | T8-T12 PolarHBondContact O-OG1 2.81Å; K9-T12 PolarHBondContact O-OG1 3.37Å; T12-I15 PolarHBondContact O-N 2.81Å; T12-E16 PolarHBondContact O-N 2.86Å |
| 13 | Y | 47.9 | Very low | 48.8 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 65% | 0.651 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.4 | -43.8 | 179.7 | -140.4 | -90.9 | 0 | 0 | 0 | 112.7 | K9 I15 E16 E17 | K9-Y13 PolarHBondContact O-N 3.21Å; Y13-I15 VanDerWaalsContact C-N 3.35Å; Y13-I15 PolarHBondContact O-N 3.23Å; Y13-E16 PolarHBondContact O-N 3.42Å; Y13-E17 PolarHBondContact O-N 3.42Å |
| 14 | V | 53 | Low | 49.4 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 49% | 0.491 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.9 | -31.5 | 178.6 | 169.3 | 0 | 0 | 0 | 0 | 112.9 | W10 T18 | W10-V14 PolarHBondContact O-N 3Å; V14-T18 PolarHBondContact O-N 3.47Å; V14-T18 PolarHBondContact O-OG1 3.39Å |
| 15 | I | 53.7 | Low | 49.6 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 48% | 0.482 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -74.6 | -32.9 | 178.1 | -69.7 | -177.6 | 0 | 0 | 0 | 111.5 | R11 T12 Y13 T18 R19 | R11-I15 WeakPolarHBondContact O-CD1 3.14Å; R11-I15 VanDerWaalsContact O-CG1 3.25Å; R11-I15 WeakPolarHBondContact O-CG1 3.26Å; T12-I15 PolarHBondContact O-N 2.81Å; Y13-I15 VanDerWaalsContact C-N 3.35Å; Y13-I15 PolarHBondContact O-N 3.23Å; I15-T18 WeakPolarHBondContact CA-OG1 3.35Å; I15-T18 PolarHBondContact O-OG1 2.82Å; I15-R19 WeakPolarHBondContact O-CB 3.08Å; I15-R19 PolarHBondContact O-N 3.43Å; I15-R19 VanDerWaalsContact O-N 3.15Å |
| 16 | E | 50.9 | Low | 49.9 | Very low | 96 Ų | 96 | 123 Ų | 123 | 45% | 0.449 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74 | -36.3 | 177.8 | -163 | 135.1 | -135.9 | 0 | 0 | 111.6 | T12 Y13 R19 W20 | T12-E16 PolarHBondContact O-N 2.86Å; Y13-E16 PolarHBondContact O-N 3.42Å; E16-R19 WeakPolarHBondContact O-CB 3.26Å; E16-R19 PolarHBondContact O-N 2.83Å; E16-R19 IonicContact OE1-CZ 3.84Å; E16-R19 IonicContact OE1-NH1 3.71Å; E16-R19 IonicContact OE1-NH2 2.82Å; E16-R19 PolarHBondContact OE1-NH2 3.31Å; E16-W20 PolarHBondContact O-N 3.49Å |
| 17 | E | 47.8 | Very low | 50.3 | Low | 127 Ų | 127 | 127.9 Ų | 127.9 | 59% | 0.593 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.9 | -33.5 | 179.3 | -149.1 | 154.3 | -164.9 | 0 | 0 | 112.7 | Y13 W20 S21 | Y13-E17 PolarHBondContact O-N 3.42Å; E17-W20 PolarHBondContact O-N 3.45Å; E17-S21 PolarHBondContact O-N 3.49Å |
| 18 | T | 46.4 | Very low | 50.3 | Low | 79 Ų | 79 | 129.5 Ų | 129.5 | 49% | 0.485 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -73 | -26.8 | 169.4 | 40.5 | 0 | 0 | 0 | 0 | 113.2 | V14 I15 W20 S21 C22 | V14-T18 PolarHBondContact O-N 3.47Å; V14-T18 PolarHBondContact O-OG1 3.39Å; I15-T18 WeakPolarHBondContact CA-OG1 3.35Å; I15-T18 PolarHBondContact O-OG1 2.82Å; T18-W20 VanDerWaalsContact C-N 3.31Å; T18-W20 PolarHBondContact O-N 3.03Å; T18-S21 PolarHBondContact O-N 3.42Å; T18-C22 PolarHBondContact O-N 2.8Å; T18-C22 VanDerWaalsContact O-N 3.1Å |
| 19 | R | 50.7 | Low | 50.1 | Low | 148 Ų | 148 | 130.8 Ų | 130.8 | 56% | 0.558 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.8 | -32.9 | 173.5 | -164.5 | 172.4 | 77.3 | -146.5 | -5.7 | 112.1 | I15 E16 A23 | I15-R19 WeakPolarHBondContact O-CB 3.08Å; I15-R19 PolarHBondContact O-N 3.43Å; I15-R19 VanDerWaalsContact O-N 3.15Å; E16-R19 WeakPolarHBondContact O-CB 3.26Å; E16-R19 PolarHBondContact O-N 2.83Å; E16-R19 IonicContact OE1-CZ 3.84Å; E16-R19 IonicContact OE1-NH1 3.71Å; E16-R19 IonicContact OE1-NH2 2.82Å; E16-R19 PolarHBondContact OE1-NH2 3.31Å; R19-A23 WeakPolarHBondContact O-CB 3.36Å; R19-A23 PolarHBondContact O-N 3.49Å |
| 20 | W | 47.5 | Very low | 49.9 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 67% | 0.674 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.2 | -38.3 | 171.7 | -64 | 105.6 | 0 | 0 | 0 | 112.1 | E16 E17 T18 C22 A23 S24 | E16-W20 PolarHBondContact O-N 3.49Å; E17-W20 PolarHBondContact O-N 3.45Å; T18-W20 VanDerWaalsContact C-N 3.31Å; T18-W20 PolarHBondContact O-N 3.03Å; W20-C22 PolarHBondContact O-N 2.8Å; W20-A23 PolarHBondContact O-N 2.88Å; W20-S24 PolarHBondContact O-N 3.2Å; W20-S24 PolarHBondContact O-OG 3.44Å |
| 21 | S | 48.8 | Very low | 50 | Low | 81 Ų | 81 | 125 Ų | 125 | 57% | 0.566 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.4 | -29.7 | -176.6 | -153.6 | 0 | 0 | 0 | 0 | 114.1 | E17 T18 | E17-S21 PolarHBondContact O-N 3.49Å; T18-S21 PolarHBondContact O-N 3.42Å |
| 22 | C | 48.6 | Very low | 50.2 | Low | 103 Ų | 103 | 125.5 Ų | 125.5 | 70% | 0.696 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -87 | -21.3 | 173.5 | -68.1 | 0 | 0 | 0 | 0 | 113.4 | T18 W20 | T18-C22 PolarHBondContact O-N 2.8Å; T18-C22 VanDerWaalsContact O-N 3.1Å; W20-C22 PolarHBondContact O-N 2.8Å |
| 23 | A | 50.4 | Low | 50.2 | Low | 69 Ų | 69 | 125.2 Ų | 125.2 | 57% | 0.57 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -86.2 | -18.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | R19 W20 | R19-A23 WeakPolarHBondContact O-CB 3.36Å; R19-A23 PolarHBondContact O-N 3.49Å; W20-A23 PolarHBondContact O-N 2.88Å |
| 24 | S | 52.6 | Low | 50.4 | Low | 96 Ų | 96 | 124.5 Ų | 124.5 | 67% | 0.671 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -89.4 | -2.9 | 176.6 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | W20 | W20-S24 PolarHBondContact O-N 3.2Å; W20-S24 PolarHBondContact O-OG 3.44Å |
| 25 | E | 49.1 | Very low | 50.3 | Low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -115.5 | 17.8 | 179.5 | -151 | 150.4 | 105 | 0 | 0 | 113.6 | ||
| 26 | Q | 56.1 | Low | 50.3 | Low | 169 Ų | 169 | 130.1 Ų | 130.1 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -127.4 | 105.4 | 159 | -75.3 | -170.2 | 4.8 | 0 | 0 | 109.1 | ||
| 27 | L | 53.1 | Low | 50.4 | Low | 169 Ų | 169 | 131.4 Ų | 131.4 | 89% | 0.885 | 72% | 0.723 | S | S | * | * | trans | 128.9 | 57.3 | 148.3 | -146.6 | 96 | 0 | 0 | 0 | 115.1 | ||||
| 28 | I | 50.6 | Low | 50 | Low | 163 Ų | 163 | 132.6 Ų | 132.6 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | trans | -133.3 | 87.8 | 149.3 | -61.3 | -175.3 | 0 | 0 | 0 | 108.7 | ||||
| 29 | V | 46.3 | Very low | 50.4 | Low | 132 Ų | 132 | 136 Ų | 136 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 152.8 | 143.3 | 133.4 | -86.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 30 | P | 47.5 | Very low | 50.2 | Low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | cis | -121.2 | 148.1 | -35.1 | 33 | -17.4 | 0 | 0 | 0 | 112.1 | ||||
| 31 | S | 47.2 | Very low | 50.5 | Low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -72.9 | 134.8 | 179.8 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | S33 | S31-S33 VanDerWaalsContact C-N 3.34Å; S31-S33 PolarHBondContact O-N 2.87Å | ||
| 32 | E | 52.4 | Low | 50.5 | Low | 198 Ų | 198 | 133.7 Ų | 133.7 | 93% | 0.925 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -70.8 | 78.9 | 169.1 | -160.2 | -178.2 | 148.5 | 0 | 0 | 110.3 | ||
| 33 | S | 54 | Low | 50.6 | Low | 80 Ų | 80 | 130.8 Ų | 130.8 | 56% | 0.559 | 72% | 0.722 | S | S | * | * | trans | -166.5 | 64.2 | 173.5 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | S31 | S31-S33 VanDerWaalsContact C-N 3.34Å; S31-S33 PolarHBondContact O-N 2.87Å | ||
| 34 | N | 51.5 | Low | 50.5 | Low | 152 Ų | 152 | 131.5 Ų | 131.5 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | -161.6 | 54.9 | 162 | -100.9 | -16.6 | 0 | 0 | 0 | 113.7 | A36 | N34-A36 VanDerWaalsContact C-N 3.33Š| ||
| 35 | M | 51.5 | Low | 50.3 | Low | 196 Ų | 196 | 130.9 Ų | 130.9 | 97% | 0.966 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -87.7 | 14.1 | 168.4 | -67.5 | -166.8 | -167.5 | 0 | 0 | 113.8 | ||
| 36 | A | 52.4 | Low | 50.1 | Low | 96 Ų | 96 | 126.6 Ų | 126.6 | 79% | 0.793 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -144.7 | 9.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | N34 | N34-A36 VanDerWaalsContact C-N 3.33Š|
| 37 | D | 52.8 | Low | 49.7 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | trans | -144.3 | 131.3 | 177 | -165.7 | 27.3 | 0 | 0 | 0 | 113.5 | ||||
| 38 | W | 41.1 | Very low | 49.4 | Very low | 153 Ų | 153 | 121.2 Ų | 121.2 | 58% | 0.58 | 68% | 0.678 | S | S | * | * | trans | 81.7 | 81.2 | -168.3 | -61.7 | 97.3 | 0 | 0 | 0 | 115.1 | R40 | W38-R40 HydrophobicContact CB-CB 3.85Å; W38-R40 HydrophobicContact CB-CG 4.32Å; W38-R40 VanDerWaalsContact CB-N 3.34Å; W38-R40 HydrophobicContact CD2-CB 4.28Å; W38-R40 HydrophobicContact CD2-CG 3.82Å; W38-R40 VanDerWaalsContact CE2-NE 3.35Å; W38-R40 VanDerWaalsContact CE2-NH2 3.25Å; W38-R40 HydrophobicContact CE3-CB 3.77Å; W38-R40 HydrophobicContact CE3-CG 3.23Å; W38-R40 VanDerWaalsContact CE3-NE 3.31Å; W38-R40 HydrophobicContact CG-CB 4.39Å; W38-R40 HydrophobicContact CG-CG 4.33Å; W38-R40 HydrophobicContact CZ3-CG 3.63Å; W38-R40 PolarHBondContact O-N 3.37Å | ||
| 39 | N | 53.7 | Low | 49.2 | Very low | 149 Ų | 149 | 118.9 Ų | 118.9 | 80% | 0.797 | 67% | 0.667 | S | S | * | * | cis | 27.6 | 14.6 | 49.7 | -145.7 | 40 | 0 | 0 | 0 | 116.4 | G41 | N39-G41 PolarHBondContact O-N 3.38Š| ||
| 40 | R | 46.4 | Very low | 49.2 | Very low | 172 Ų | 172 | 116.6 Ų | 116.6 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | trans | -79.4 | 17.4 | 149.9 | -109.7 | 156.8 | -134.6 | -173.2 | 8.2 | 109.1 | W38 | W38-R40 HydrophobicContact CB-CB 3.85Å; W38-R40 HydrophobicContact CB-CG 4.32Å; W38-R40 VanDerWaalsContact CB-N 3.34Å; W38-R40 HydrophobicContact CD2-CB 4.28Å; W38-R40 HydrophobicContact CD2-CG 3.82Å; W38-R40 VanDerWaalsContact CE2-NE 3.35Å; W38-R40 VanDerWaalsContact CE2-NH2 3.25Å; W38-R40 HydrophobicContact CE3-CB 3.77Å; W38-R40 HydrophobicContact CE3-CG 3.23Å; W38-R40 VanDerWaalsContact CE3-NE 3.31Å; W38-R40 HydrophobicContact CG-CB 4.39Å; W38-R40 HydrophobicContact CG-CG 4.33Å; W38-R40 HydrophobicContact CZ3-CG 3.63Å; W38-R40 PolarHBondContact O-N 3.37Å | ||
| 41 | G | 53.5 | Low | 49.4 | Very low | 39 Ų | 39 | 114 Ų | 114 | 40% | 0.402 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -41 | 143.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | N39 | N39-G41 PolarHBondContact O-N 3.38Š|
| 42 | H | 49.3 | Very low | 49.2 | Very low | 149 Ų | 149 | 115.3 Ų | 115.3 | 69% | 0.69 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89 | 5.8 | 175.9 | -62 | -57.6 | 0 | 0 | 0 | 120.2 | D46 | H42-D46 IonicContact CE1-OD2 3.61Å; H42-D46 IonicContact CG-OD2 3.81Å; H42-D46 IonicContact ND1-OD2 2.79Å; H42-D46 PolarHBondContact ND1-OD2 2.86Å |
| 43 | G | 50.2 | Low | 48.9 | Very low | 42 Ų | 42 | 111.1 Ų | 111.1 | 43% | 0.433 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -105.1 | -65.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S47 | G43-S47 WeakPolarHBondContact O-CB 3.36Å; G43-S47 PolarHBondContact O-N 2.89Å; G43-S47 PolarHBondContact O-OG 2.83Å |
| 44 | S | 48.7 | Very low | 48.6 | Very low | 84 Ų | 84 | 113.7 Ų | 113.7 | 59% | 0.587 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -87.1 | -28.4 | -172 | 154.2 | 0 | 0 | 0 | 0 | 113.4 | M48 | S44-M48 WeakPolarHBondContact O-CB 3.32Å; S44-M48 WeakPolarHBondContact O-CG 3.13Å; S44-M48 PolarHBondContact O-N 2.83Å |
| 45 | V | 48.7 | Very low | 48.2 | Very low | 82 Ų | 82 | 116.2 Ų | 116.2 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -78 | -36.2 | 174.7 | -93.1 | 0 | 0 | 0 | 0 | 111.7 | L49 | V45-L49 HydrophobicContact CB-CD1 4.37Å; V45-L49 WeakPolarHBondContact O-CB 3.29Å; V45-L49 WeakPolarHBondContact O-CD1 3.25Å; V45-L49 WeakPolarHBondContact O-CG 3.42Å; V45-L49 PolarHBondContact O-N 3.4Å |
| 46 | D | 45.6 | Very low | 48 | Very low | 82 Ų | 82 | 111.8 Ų | 111.8 | 44% | 0.439 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.7 | -39.6 | 171.5 | -100.3 | -78.2 | 0 | 0 | 0 | 111.9 | H42 D50 | H42-D46 IonicContact CE1-OD2 3.61Å; H42-D46 IonicContact CG-OD2 3.81Å; H42-D46 IonicContact ND1-OD2 2.79Å; H42-D46 PolarHBondContact ND1-OD2 2.86Å; D46-D50 VanDerWaalsContact O-CB 3.23Å; D46-D50 WeakPolarHBondContact O-CB 3.38Å; D46-D50 PolarHBondContact O-N 3.46Å |
| 47 | S | 47.8 | Very low | 47.6 | Very low | 84 Ų | 84 | 109.8 Ų | 109.8 | 59% | 0.587 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.1 | -28.6 | -177.7 | -56.2 | 0 | 0 | 0 | 0 | 114.1 | G43 A51 | G43-S47 WeakPolarHBondContact O-CB 3.36Å; G43-S47 PolarHBondContact O-N 2.89Å; G43-S47 PolarHBondContact O-OG 2.83Å; S47-A51 WeakPolarHBondContact O-CB 3.11Å |
| 48 | M | 45.2 | Very low | 47.3 | Very low | 140 Ų | 140 | 109.9 Ų | 109.9 | 69% | 0.69 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -91 | -21.8 | 176.8 | -66.6 | -176.4 | 110.3 | 0 | 0 | 112.5 | S44 | S44-M48 WeakPolarHBondContact O-CB 3.32Å; S44-M48 WeakPolarHBondContact O-CG 3.13Å; S44-M48 PolarHBondContact O-N 2.83Å |
| 49 | L | 47.7 | Very low | 47.5 | Very low | 115 Ų | 115 | 106.3 Ų | 106.3 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -90.1 | -33.3 | 174.7 | -62.2 | 170.6 | 0 | 0 | 0 | 112.6 | V45 N53 | V45-L49 HydrophobicContact CB-CD1 4.37Å; V45-L49 WeakPolarHBondContact O-CB 3.29Å; V45-L49 WeakPolarHBondContact O-CD1 3.25Å; V45-L49 WeakPolarHBondContact O-CG 3.42Å; V45-L49 PolarHBondContact O-N 3.4Å; L49-N53 WeakPolarHBondContact O-CB 3.33Å; L49-N53 PolarHBondContact O-N 2.84Å |
| 50 | D | 46.4 | Very low | 47.2 | Very low | 84 Ų | 84 | 104.8 Ų | 104.8 | 45% | 0.449 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -75.6 | -29.2 | 177 | -163.9 | 56.2 | 0 | 0 | 0 | 112.9 | D46 K54 | D46-D50 VanDerWaalsContact O-CB 3.23Å; D46-D50 WeakPolarHBondContact O-CB 3.38Å; D46-D50 PolarHBondContact O-N 3.46Å; D50-K54 PolarHBondContact O-N 2.79Å; D50-K54 IonicContact OD1-NZ 3.45Å; D50-K54 PolarHBondContact OD1-NZ 3.39Å; D50-K54 IonicContact OD2-NZ 2.92Å; D50-K54 PolarHBondContact OD2-NZ 3.44Å |
| 51 | A | 50.5 | Low | 47.1 | Very low | 70 Ų | 70 | 100 Ų | 100 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.4 | -31.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S47 | S47-A51 WeakPolarHBondContact O-CB 3.11Å |
| 52 | E | 43.5 | Very low | 46.4 | Very low | 132 Ų | 132 | 101 Ų | 101 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -86 | -33.1 | 172.7 | -83 | -140.3 | 148.1 | 0 | 0 | 112.9 | R55 L56 | E52-R55 PolarHBondContact O-N 3.22Å; E52-L56 HydrophobicContact CB-CD1 4.36Å; E52-L56 WeakPolarHBondContact O-CB 3.03Å; E52-L56 WeakPolarHBondContact O-CG 3.45Å; E52-L56 PolarHBondContact O-N 3.28Å |
| 53 | N | 46.9 | Very low | 46.1 | Very low | 110 Ų | 110 | 99.8 Ų | 99.8 | 59% | 0.588 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70 | -34.7 | -179.2 | -151.3 | -2 | 0 | 0 | 0 | 111.9 | L49 R55 A57 | L49-N53 WeakPolarHBondContact O-CB 3.33Å; L49-N53 PolarHBondContact O-N 2.84Å; N53-R55 VanDerWaalsContact C-N 3.3Å; N53-R55 PolarHBondContact O-N 2.83Å; N53-A57 WeakPolarHBondContact O-CB 3.4Å; N53-A57 PolarHBondContact O-N 2.91Å |
| 54 | K | 47 | Very low | 45.9 | Very low | 134 Ų | 134 | 102 Ų | 102 | 58% | 0.583 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.5 | -27.2 | 171.7 | -93.3 | -176.8 | -175.6 | 70.4 | 0 | 114.2 | D50 | D50-K54 PolarHBondContact O-N 2.79Å; D50-K54 IonicContact OD1-NZ 3.45Å; D50-K54 PolarHBondContact OD1-NZ 3.39Å; D50-K54 IonicContact OD2-NZ 2.92Å; D50-K54 PolarHBondContact OD2-NZ 3.44Å |
| 55 | R | 42.5 | Very low | 45.5 | Very low | 205 Ų | 205 | 101.9 Ų | 101.9 | 77% | 0.774 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -93.3 | -25.2 | -178.7 | -136 | -172.6 | 84.9 | 102.4 | 0.2 | 113.5 | E52 N53 | E52-R55 PolarHBondContact O-N 3.22Å; N53-R55 VanDerWaalsContact C-N 3.3Å; N53-R55 PolarHBondContact O-N 2.83Å |
| 56 | L | 48.2 | Very low | 45.1 | Very low | 102 Ų | 102 | 108.1 Ų | 108.1 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -82.5 | -29.9 | 174.7 | -69.4 | 166.6 | 0 | 0 | 0 | 111.8 | E52 L60 | E52-L56 HydrophobicContact CB-CD1 4.36Å; E52-L56 WeakPolarHBondContact O-CB 3.03Å; E52-L56 WeakPolarHBondContact O-CG 3.45Å; E52-L56 PolarHBondContact O-N 3.28Å; L56-L60 WeakPolarHBondContact O-CD1 3.3Å |
| 57 | A | 44.5 | Very low | 45.1 | Very low | 54 Ų | 54 | 110.3 Ų | 110.3 | 45% | 0.446 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.5 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N53 N59 | N53-A57 WeakPolarHBondContact O-CB 3.4Å; N53-A57 PolarHBondContact O-N 2.91Å; A57-N59 PolarHBondContact O-N 3.46Å |
| 58 | D | 46.8 | Very low | 45 | Very low | 126 Ų | 126 | 114 Ų | 114 | 67% | 0.674 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -77 | -21.5 | -176.2 | -83.3 | -13.6 | 0 | 0 | 0 | 114.4 | S62 | D58-S62 PolarHBondContact O-OG 3.03Å; D58-S62 VanDerWaalsContact O-OG 3.09Å |
| 59 | N | 43.4 | Very low | 44.7 | Very low | 78 Ų | 78 | 111.4 Ų | 111.4 | 42% | 0.417 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -89.1 | -12.3 | 178 | -129.8 | -99.5 | 0 | 0 | 0 | 113.6 | A57 K63 | A57-N59 PolarHBondContact O-N 3.46Å; N59-K63 WeakPolarHBondContact O-CB 3.13Å; N59-K63 WeakPolarHBondContact O-CG 3.31Å; N59-K63 VanDerWaalsContact OD1-CE 3.27Å; N59-K63 WeakPolarHBondContact OD1-CE 3.48Å; N59-K63 PolarHBondContact OD1-NZ 3.48Å |
| 60 | L | 47.8 | Very low | 44.5 | Very low | 117 Ų | 117 | 112.9 Ų | 112.9 | 61% | 0.613 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -84.4 | -40.6 | 172.8 | -97.9 | 68.7 | 0 | 0 | 0 | 111.5 | L56 S62 K63 V64 | L56-L60 WeakPolarHBondContact O-CD1 3.3Å; L60-S62 PolarHBondContact O-N 3.45Å; L60-K63 PolarHBondContact O-N 3.02Å; L60-V64 VanDerWaalsContact O-CB 3.31Å; L60-V64 WeakPolarHBondContact O-CB 3.45Å; L60-V64 WeakPolarHBondContact O-CG2 3.23Å; L60-V64 PolarHBondContact O-N 3.24Å |
| 61 | A | 44.5 | Very low | 44.7 | Very low | 70 Ų | 70 | 112.5 Ų | 112.5 | 58% | 0.579 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.8 | -40.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | S65 | A61-S65 PolarHBondContact O-N 2.95Å |
| 62 | S | 38.8 | Very low | 44.7 | Very low | 60 Ų | 60 | 118.5 Ų | 118.5 | 42% | 0.42 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -76.7 | -23.2 | -179.8 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | D58 L60 | D58-S62 PolarHBondContact O-OG 3.03Å; D58-S62 VanDerWaalsContact O-OG 3.09Å; L60-S62 PolarHBondContact O-N 3.45Å |
| 63 | K | 44.4 | Very low | 44.9 | Very low | 124 Ų | 124 | 118 Ų | 118 | 54% | 0.539 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -90.4 | -26.1 | 174.1 | -75.7 | 175.4 | 174.4 | 161.1 | 0 | 113.2 | N59 L60 L67 | N59-K63 WeakPolarHBondContact O-CB 3.13Å; N59-K63 WeakPolarHBondContact O-CG 3.31Å; N59-K63 VanDerWaalsContact OD1-CE 3.27Å; N59-K63 WeakPolarHBondContact OD1-CE 3.48Å; N59-K63 PolarHBondContact OD1-NZ 3.48Å; L60-K63 PolarHBondContact O-N 3.02Å; K63-L67 PolarHBondContact O-N 2.87Å |
| 64 | V | 45.2 | Very low | 45.1 | Very low | 90 Ų | 90 | 119.1 Ų | 119.1 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.8 | -30.9 | 170.7 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L60 R66 K68 | L60-V64 VanDerWaalsContact O-CB 3.31Å; L60-V64 WeakPolarHBondContact O-CB 3.45Å; L60-V64 WeakPolarHBondContact O-CG2 3.23Å; L60-V64 PolarHBondContact O-N 3.24Å; V64-R66 PolarHBondContact O-N 3.27Å; V64-K68 WeakPolarHBondContact O-CB 3.49Å; V64-K68 PolarHBondContact O-N 3.45Å |
| 65 | S | 40.4 | Very low | 45.5 | Very low | 80 Ų | 80 | 120.5 Ų | 120.5 | 56% | 0.559 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.9 | -28.3 | 175.3 | -165.8 | 0 | 0 | 0 | 0 | 114.1 | A61 S69 | A61-S65 PolarHBondContact O-N 2.95Å; S65-S69 PolarHBondContact O-N 3.24Å |
| 66 | R | 39.8 | Very low | 46.1 | Very low | 214 Ų | 214 | 120.4 Ų | 120.4 | 81% | 0.808 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -83.2 | -35.7 | 177.2 | -68.5 | -175.8 | -178.9 | -113.3 | 1 | 112.3 | V64 S69 L70 | V64-R66 PolarHBondContact O-N 3.27Å; R66-S69 PolarHBondContact O-N 2.85Å; R66-L70 PolarHBondContact O-N 2.67Å |
| 67 | L | 46.5 | Very low | 46.2 | Very low | 127 Ų | 127 | 122 Ų | 122 | 67% | 0.665 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.7 | -28.5 | 171.3 | -79.9 | 156.7 | 0 | 0 | 0 | 112.8 | K63 S69 L70 A71 | K63-L67 PolarHBondContact O-N 2.87Å; L67-S69 VanDerWaalsContact C-N 3.32Å; L67-L70 PolarHBondContact O-N 3.49Å; L67-A71 PolarHBondContact O-N 3.17Å |
| 68 | K | 44.5 | Very low | 46.7 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 70% | 0.704 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70 | -26.8 | 172 | -170.4 | 173.8 | -175.8 | -177.5 | 0 | 112.8 | V64 | V64-K68 WeakPolarHBondContact O-CB 3.49Å; V64-K68 PolarHBondContact O-N 3.45Å |
| 69 | S | 38.6 | Very low | 47 | Very low | 86 Ų | 86 | 128.1 Ų | 128.1 | 60% | 0.601 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.8 | -19.2 | 175.5 | -164.4 | 0 | 0 | 0 | 0 | 113.6 | S65 R66 L67 | S65-S69 PolarHBondContact O-N 3.24Å; R66-S69 PolarHBondContact O-N 2.85Å; L67-S69 VanDerWaalsContact C-N 3.32Å |
| 70 | L | 44.3 | Very low | 47.5 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -3.5 | 174.2 | -149.7 | 80.6 | 0 | 0 | 0 | 112.9 | R66 L67 | R66-L70 PolarHBondContact O-N 2.67Å; L67-L70 PolarHBondContact O-N 3.49Å |
| 71 | A | 49.8 | Very low | 47.3 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 63% | 0.628 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -0.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L67 | L67-A71 PolarHBondContact O-N 3.17Š|
| 72 | Y | 52.3 | Low | 47.7 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -124.1 | -3.5 | -169.5 | -163.7 | -98.3 | 0 | 0 | 0 | 116.5 | ||
| 73 | D | 46.4 | Very low | 48.4 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -137.9 | 120.4 | 170.1 | -94 | -32.8 | 0 | 0 | 0 | 106.1 | ||
| 74 | I | 52.5 | Low | 48.6 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | cis | -153.2 | 122.5 | 21.6 | -83.3 | 129.8 | 0 | 0 | 0 | 105 | R76 | I74-R76 HydrophobicContact CG2-CB 3.97Å; I74-R76 PolarHBondContact O-N 2.93Å | ||
| 75 | D | 55.2 | Low | 48.9 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 88% | 0.877 | 72% | 0.716 | S | S | * | * | trans | -65.9 | 103.9 | 152.3 | -167.8 | 26.9 | 0 | 0 | 0 | 105.4 | ||||
| 76 | R | 54.4 | Low | 49.7 | Very low | 202 Ų | 202 | 145.2 Ų | 145.2 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | trans | -177.1 | 132.4 | 150.5 | -108 | -177.1 | -163.6 | 171.2 | 4.2 | 114.2 | I74 | I74-R76 HydrophobicContact CG2-CB 3.97Å; I74-R76 PolarHBondContact O-N 2.93Å | ||
| 77 | D | 49.6 | Very low | 50.5 | Low | 136 Ų | 136 | 140 Ų | 140 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | 88.2 | 88.5 | 150 | -55.8 | -21.3 | 0 | 0 | 0 | 116.4 | ||||
| 78 | V | 56.4 | Low | 51.1 | Low | 130 Ų | 130 | 139.6 Ų | 139.6 | 79% | 0.788 | 71% | 0.707 | S | S | * | * | -14.8 | 147.6 | 127.9 | -169.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 79 | E | 52.9 | Low | 52 | Low | 179 Ų | 179 | 136.6 Ų | 136.6 | 84% | 0.836 | 70% | 0.699 | S | S | * | * | trans | 94.5 | 104.3 | 159.2 | -114.2 | 167.6 | 156.1 | 0 | 0 | 115.6 | ||||
| 80 | D | 52.7 | Low | 53.4 | Low | 145 Ų | 145 | 135.3 Ų | 135.3 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | 114.1 | 61 | 129.7 | -139.5 | 21.8 | 0 | 0 | 0 | 116.9 | |||||
| 81 | Q | 44 | Very low | 54.7 | Low | 139 Ų | 139 | 133 Ų | 133 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | trans | -133.9 | 73 | 158.8 | -65.6 | -174.1 | 27.8 | 0 | 0 | 110.5 | D83 Y84 | Q81-D83 PolarHBondContact O-N 3.48Å; Q81-Y84 HydrophobicContact CB-CD2 3.74Å; Q81-Y84 HydrophobicContact CB-CE2 4.02Å | ||
| 82 | N | 54 | Low | 55.8 | Low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 36.5 | 163 | -172.4 | 39.4 | 0 | 0 | 0 | 112.6 | ||
| 83 | D | 53.4 | Low | 56.9 | Low | 122 Ų | 122 | 132.7 Ų | 132.7 | 65% | 0.652 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 6.3 | -177.5 | -141.3 | 18.6 | 0 | 0 | 0 | 111.8 | Q81 | Q81-D83 PolarHBondContact O-N 3.48Š|
| 84 | Y | 46.9 | Very low | 58.4 | Low | 138 Ų | 138 | 130.7 Ų | 130.7 | 54% | 0.541 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -11.1 | -179 | -102.7 | -79.7 | 0 | 0 | 0 | 114.7 | Q81 | Q81-Y84 HydrophobicContact CB-CD2 3.74Å; Q81-Y84 HydrophobicContact CB-CE2 4.02Å |
| 85 | L | 52.8 | Low | 59.5 | Low | 145 Ų | 145 | 126.9 Ų | 126.9 | 76% | 0.759 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -33.1 | -178.9 | -64.8 | 176.4 | 0 | 0 | 0 | 112.8 | ||
| 86 | D | 57.6 | Low | 60.6 | Low | 130 Ų | 130 | 122 Ų | 122 | 70% | 0.695 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -81 | -33.4 | -173.8 | -156.9 | 49.4 | 0 | 0 | 0 | 112.3 | ||
| 87 | N | 55.8 | Low | 62 | Low | 104 Ų | 104 | 115 Ų | 115 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.1 | -17.2 | 177.3 | -158.9 | 8.4 | 0 | 0 | 0 | 113.4 | S90 N91 | N87-S90 PolarHBondContact O-OG 3.09Å; N87-N91 PolarHBondContact O-ND2 2.84Å; N87-N91 PolarHBondContact OD1-ND2 3.18Å |
| 88 | M | 58.2 | Low | 63.5 | Low | 120 Ų | 120 | 115 Ų | 115 | 59% | 0.591 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.2 | -40.6 | 174.4 | -85.4 | -165.6 | -162 | 0 | 0 | 112.3 | F92 | M88-F92 WeakPolarHBondContact O-CB 3.19Å; M88-F92 PolarHBondContact O-N 3.44Å |
| 89 | D | 64.6 | Low | 64.3 | Low | 99 Ų | 99 | 113.8 Ų | 113.8 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.9 | -45.4 | -175.5 | -172.6 | 69 | 0 | 0 | 0 | 112.1 | F92 M93 | D89-F92 PolarHBondContact O-N 3.4Å; D89-M93 WeakPolarHBondContact O-CG 3.3Å; D89-M93 PolarHBondContact O-N 3.38Å |
| 90 | S | 67.6 | Low | 65.5 | Low | 59 Ų | 59 | 109 Ų | 109 | 41% | 0.413 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.6 | -40.9 | 179.9 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | N87 F92 S94 | N87-S90 PolarHBondContact O-OG 3.09Å; S90-F92 VanDerWaalsContact C-N 3.35Å; S90-S94 WeakPolarHBondContact O-CB 3.47Å; S90-S94 PolarHBondContact O-N 2.89Å; S90-S94 VanDerWaalsContact O-N 3.17Å; S90-S94 PolarHBondContact O-OG 3.5Å |
| 91 | N | 72.3 | Confident | 66.8 | Low | 96 Ų | 96 | 103.9 Ų | 103.9 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.1 | -34.5 | 172.6 | -77 | -71.6 | 0 | 0 | 0 | 111.5 | N87 A95 | N87-N91 PolarHBondContact O-ND2 2.84Å; N87-N91 PolarHBondContact OD1-ND2 3.18Å; N91-A95 WeakPolarHBondContact O-CB 3.31Å; N91-A95 PolarHBondContact O-N 3.48Å |
| 92 | F | 72.1 | Confident | 68.3 | Low | 138 Ų | 138 | 100.8 Ų | 100.8 | 61% | 0.605 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.8 | -43.3 | 176.8 | -176.6 | -99.6 | 0 | 0 | 0 | 111.9 | M88 D89 S90 S94 A95 T96 | M88-F92 WeakPolarHBondContact O-CB 3.19Å; M88-F92 PolarHBondContact O-N 3.44Å; D89-F92 PolarHBondContact O-N 3.4Å; S90-F92 VanDerWaalsContact C-N 3.35Å; F92-S94 PolarHBondContact O-N 3.35Å; F92-A95 PolarHBondContact O-N 2.77Å; F92-T96 WeakPolarHBondContact O-CB 3.16Å; F92-T96 PolarHBondContact O-N 3.11Å; F92-T96 PolarHBondContact O-OG1 3.04Å |
| 93 | M | 76.4 | Confident | 69.3 | Low | 128 Ų | 128 | 97 Ų | 97 | 63% | 0.631 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.2 | -44.2 | 174.3 | -76 | -172.5 | 68.5 | 0 | 0 | 111.6 | D89 T96 G97 | D89-M93 WeakPolarHBondContact O-CG 3.3Å; D89-M93 PolarHBondContact O-N 3.38Å; M93-T96 PolarHBondContact O-N 3.37Å; M93-G97 PolarHBondContact O-N 2.99Å; M93-G97 VanDerWaalsContact O-N 3.11Å |
| 94 | S | 77.3 | Confident | 70.4 | Confident | 80 Ų | 80 | 98.7 Ų | 98.7 | 56% | 0.559 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.6 | -44.7 | 178.4 | -59.3 | 0 | 0 | 0 | 0 | 112 | S90 F92 G97 L98 | S90-S94 WeakPolarHBondContact O-CB 3.47Å; S90-S94 PolarHBondContact O-N 2.89Å; S90-S94 VanDerWaalsContact O-N 3.17Å; S90-S94 PolarHBondContact O-OG 3.5Å; F92-S94 PolarHBondContact O-N 3.35Å; S94-G97 PolarHBondContact O-N 2.77Å; S94-L98 PolarHBondContact O-N 3.36Å |
| 95 | A | 74.8 | Confident | 71.7 | Confident | 52 Ų | 52 | 101.9 Ų | 101.9 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.8 | -35.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | N91 F92 G97 L98 L99 | N91-A95 WeakPolarHBondContact O-CB 3.31Å; N91-A95 PolarHBondContact O-N 3.48Å; F92-A95 PolarHBondContact O-N 2.77Å; A95-G97 PolarHBondContact O-N 3.45Å; A95-L98 PolarHBondContact O-N 3.39Å; A95-L99 WeakPolarHBondContact O-CB 3.44Å; A95-L99 PolarHBondContact O-N 3.46Å |
| 96 | T | 79.5 | Confident | 72.7 | Confident | 62 Ų | 62 | 98.8 Ų | 98.8 | 38% | 0.38 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 177.4 | -67 | 0 | 0 | 0 | 0 | 111.6 | F92 M93 L99 S100 | F92-T96 WeakPolarHBondContact O-CB 3.16Å; F92-T96 PolarHBondContact O-N 3.11Å; F92-T96 PolarHBondContact O-OG1 3.04Å; M93-T96 PolarHBondContact O-N 3.37Å; T96-L99 PolarHBondContact O-N 2.98Å; T96-S100 VanDerWaalsContact O-CB 3.26Å; T96-S100 WeakPolarHBondContact O-CB 3.13Å; T96-S100 PolarHBondContact O-N 2.96Å |
| 97 | G | 82.7 | Confident | 73.2 | Confident | 54 Ų | 54 | 94.6 Ų | 94.6 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.8 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M93 S94 A95 | M93-G97 PolarHBondContact O-N 2.99Å; M93-G97 VanDerWaalsContact O-N 3.11Å; S94-G97 PolarHBondContact O-N 2.77Å; A95-G97 PolarHBondContact O-N 3.45Å |
| 98 | L | 82.6 | Confident | 73.9 | Confident | 138 Ų | 138 | 93.7 Ų | 93.7 | 72% | 0.723 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71 | -41.7 | 177 | -63.7 | 176.1 | 0 | 0 | 0 | 112 | S94 A95 S100 G101 S102 | S94-L98 PolarHBondContact O-N 3.36Å; A95-L98 PolarHBondContact O-N 3.39Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 3.31Å; L98-G101 PolarHBondContact O-N 2.85Å; L98-S102 PolarHBondContact O-N 3.47Å |
| 99 | L | 72.1 | Confident | 74.2 | Confident | 103 Ų | 103 | 92.8 Ų | 92.8 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.9 | -33.9 | 179.3 | -173.1 | 62 | 0 | 0 | 0 | 111.2 | A95 T96 G101 S102 V103 | A95-L99 WeakPolarHBondContact O-CB 3.44Å; A95-L99 PolarHBondContact O-N 3.46Å; T96-L99 PolarHBondContact O-N 2.98Å; L99-G101 VanDerWaalsContact C-N 3.25Å; L99-G101 PolarHBondContact O-N 3.4Å; L99-S102 CarbonylContact O-C 3.6Å; L99-S102 PolarHBondContact O-N 2.89Å; L99-V103 HydrophobicContact CD1-CG2 4.13Å; L99-V103 HydrophobicContact CG-CG2 3.9Å; L99-V103 WeakPolarHBondContact O-CB 3.45Å; L99-V103 VanDerWaalsContact O-CG2 3.26Å; L99-V103 WeakPolarHBondContact O-CG2 3.42Å; L99-V103 PolarHBondContact O-N 3.39Å |
| 100 | S | 78.1 | Confident | 74.3 | Confident | 78 Ų | 78 | 90.9 Ų | 90.9 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.7 | -39.1 | 173.4 | -177.4 | 0 | 0 | 0 | 0 | 112 | T96 L98 K104 | T96-S100 VanDerWaalsContact O-CB 3.26Å; T96-S100 WeakPolarHBondContact O-CB 3.13Å; T96-S100 PolarHBondContact O-N 2.96Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 3.31Å; S100-K104 VanDerWaalsContact O-CB 3.29Å; S100-K104 WeakPolarHBondContact O-CB 3.5Å; S100-K104 PolarHBondContact O-N 2.89Å |
| 101 | G | 80.6 | Confident | 74.1 | Confident | 39 Ų | 39 | 98 Ų | 98 | 40% | 0.402 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L98 L99 K104 R105 | L98-G101 PolarHBondContact O-N 2.85Å; L99-G101 VanDerWaalsContact C-N 3.25Å; L99-G101 PolarHBondContact O-N 3.4Å; G101-K104 PolarHBondContact O-N 2.71Å; G101-R105 PolarHBondContact O-N 3.48Å; G101-R105 VanDerWaalsContact O-N 3.13Å |
| 102 | S | 74.9 | Confident | 73.6 | Confident | 73 Ų | 73 | 97.2 Ų | 97.2 | 51% | 0.51 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 177.5 | -65.2 | 0 | 0 | 0 | 0 | 112.7 | L98 L99 K104 R105 F106 | L98-S102 PolarHBondContact O-N 3.47Å; L99-S102 CarbonylContact O-C 3.6Å; L99-S102 PolarHBondContact O-N 2.89Å; S102-K104 VanDerWaalsContact C-N 3.35Å; S102-R105 PolarHBondContact O-N 2.84Å; S102-F106 VanDerWaalsContact O-CB 3.27Å; S102-F106 WeakPolarHBondContact O-CB 3.32Å; S102-F106 PolarHBondContact O-N 3.3Å |
| 103 | V | 76.1 | Confident | 73.2 | Confident | 78 Ų | 78 | 93.7 Ų | 93.7 | 47% | 0.473 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 175.3 | 170 | 0 | 0 | 0 | 0 | 110.4 | L99 F106 S107 | L99-V103 HydrophobicContact CD1-CG2 4.13Å; L99-V103 HydrophobicContact CG-CG2 3.9Å; L99-V103 WeakPolarHBondContact O-CB 3.45Å; L99-V103 VanDerWaalsContact O-CG2 3.26Å; L99-V103 WeakPolarHBondContact O-CG2 3.42Å; L99-V103 PolarHBondContact O-N 3.39Å; V103-F106 PolarHBondContact O-N 3.49Å; V103-S107 WeakPolarHBondContact O-CB 3.07Å; V103-S107 PolarHBondContact O-N 3.45Å |
| 104 | K | 76.4 | Confident | 72.2 | Confident | 158 Ų | 158 | 96.6 Ų | 96.6 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 174.2 | -170.1 | 172.3 | -175.4 | 176.4 | 0 | 111.5 | S100 G101 S102 T108 | S100-K104 VanDerWaalsContact O-CB 3.29Å; S100-K104 WeakPolarHBondContact O-CB 3.5Å; S100-K104 PolarHBondContact O-N 2.89Å; G101-K104 PolarHBondContact O-N 2.71Å; S102-K104 VanDerWaalsContact C-N 3.35Å; K104-T108 PolarHBondContact O-N 3.06Å; K104-T108 PolarHBondContact O-OG1 3.3Å |
| 105 | R | 74.4 | Confident | 71.2 | Confident | 205 Ų | 205 | 99.9 Ų | 99.9 | 77% | 0.774 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.6 | -40.3 | 174.4 | -72.5 | -175.8 | 176 | 177.5 | 0.2 | 112.5 | G101 S102 T108 M109 | G101-R105 PolarHBondContact O-N 3.48Å; G101-R105 VanDerWaalsContact O-N 3.13Å; S102-R105 PolarHBondContact O-N 2.84Å; R105-T108 PolarHBondContact O-N 3.22Å; R105-M109 WeakPolarHBondContact O-CB 3.34Å; R105-M109 PolarHBondContact O-N 3.23Å |
| 106 | F | 72.6 | Confident | 70.3 | Confident | 81 Ų | 81 | 99.5 Ų | 99.5 | 36% | 0.355 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 176.1 | -177.2 | -106.1 | 0 | 0 | 0 | 111.2 | S102 V103 T108 M109 V110 L120 V123 | S102-F106 VanDerWaalsContact O-CB 3.27Å; S102-F106 WeakPolarHBondContact O-CB 3.32Å; S102-F106 PolarHBondContact O-N 3.3Å; V103-F106 PolarHBondContact O-N 3.49Å; F106-T108 VanDerWaalsContact C-N 3.34Å; F106-T108 PolarHBondContact O-N 3.25Å; F106-M109 CarbonylContact O-C 3.56Å; F106-M109 WeakPolarHBondContact O-CB 3.42Å; F106-M109 PolarHBondContact O-N 2.92Å; F106-M109 VanDerWaalsContact O-N 3.09Å; F106-V110 HydrophobicContact CD1-CG2 3.78Å; F106-V110 HydrophobicContact CD2-CG2 4.33Å; F106-V110 HydrophobicContact CE1-CG2 3.52Å; F106-V110 HydrophobicContact CE2-CG2 4.08Å; F106-V110 HydrophobicContact CG-CG2 4.19Å; F106-V110 HydrophobicContact CZ-CG2 3.68Å; F106-V110 WeakPolarHBondContact O-CB 3.27Å; F106-V110 WeakPolarHBondContact O-CG2 3.29Å; F106-V110 PolarHBondContact O-N 3.11Å; F106-L120 HydrophobicContact CE2-CD2 4.05Å; F106-L120 HydrophobicContact CZ-CD2 3.99Å; F106-V123 HydrophobicContact CD2-CG1 4.47Å; F106-V123 HydrophobicContact CE2-CB 4.02Å; F106-V123 HydrophobicContact CE2-CG1 3.52Å; F106-V123 HydrophobicContact CE2-CG2 4.2Å; F106-V123 HydrophobicContact CZ-CB 4.22Å; F106-V123 HydrophobicContact CZ-CG1 3.62Å |
| 107 | S | 68.9 | Low | 69.6 | Low | 42 Ų | 42 | 106.3 Ų | 106.3 | 29% | 0.294 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.4 | -41.6 | 174.4 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | V103 V110 R111 | V103-S107 WeakPolarHBondContact O-CB 3.07Å; V103-S107 PolarHBondContact O-N 3.45Å; S107-V110 PolarHBondContact O-N 3.44Å; S107-R111 WeakPolarHBondContact O-CB 3.26Å; S107-R111 WeakPolarHBondContact O-CG 3.22Å; S107-R111 PolarHBondContact O-N 3Å |
| 108 | T | 68.9 | Low | 68.8 | Low | 85 Ų | 85 | 113.5 Ų | 113.5 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.8 | -39.9 | 172.5 | -57.8 | 0 | 0 | 0 | 0 | 112 | K104 R105 F106 R111 S112 | K104-T108 PolarHBondContact O-N 3.06Å; K104-T108 PolarHBondContact O-OG1 3.3Å; R105-T108 PolarHBondContact O-N 3.22Å; F106-T108 VanDerWaalsContact C-N 3.34Å; F106-T108 PolarHBondContact O-N 3.25Å; T108-R111 PolarHBondContact O-N 3.25Å; T108-S112 PolarHBondContact O-N 3.28Å; T108-S112 PolarHBondContact O-OG 2.85Å |
| 109 | M | 65.2 | Low | 68.5 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 50% | 0.498 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.3 | -36.5 | 178 | -171.9 | -178.4 | -70.9 | 0 | 0 | 112.9 | R105 F106 | R105-M109 WeakPolarHBondContact O-CB 3.34Å; R105-M109 PolarHBondContact O-N 3.23Å; F106-M109 CarbonylContact O-C 3.56Å; F106-M109 WeakPolarHBondContact O-CB 3.42Å; F106-M109 PolarHBondContact O-N 2.92Å; F106-M109 VanDerWaalsContact O-N 3.09Å |
| 110 | V | 66.8 | Low | 68.6 | Low | 58 Ų | 58 | 108.9 Ų | 108.9 | 35% | 0.352 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.9 | -39.2 | 173.9 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | F106 S107 L120 | F106-V110 HydrophobicContact CD1-CG2 3.78Å; F106-V110 HydrophobicContact CD2-CG2 4.33Å; F106-V110 HydrophobicContact CE1-CG2 3.52Å; F106-V110 HydrophobicContact CE2-CG2 4.08Å; F106-V110 HydrophobicContact CG-CG2 4.19Å; F106-V110 HydrophobicContact CZ-CG2 3.68Å; F106-V110 WeakPolarHBondContact O-CB 3.27Å; F106-V110 WeakPolarHBondContact O-CG2 3.29Å; F106-V110 PolarHBondContact O-N 3.11Å; S107-V110 PolarHBondContact O-N 3.44Å; V110-L120 HydrophobicContact CB-CD1 4.42Å; V110-L120 HydrophobicContact CB-CD2 4.04Å; V110-L120 HydrophobicContact CG1-CD1 4.1Å; V110-L120 HydrophobicContact CG1-CD2 4.35Å; V110-L120 HydrophobicContact CG2-CD2 3.32Å |
| 111 | R | 63.9 | Low | 68.6 | Low | 208 Ų | 208 | 109.1 Ų | 109.1 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -77.7 | -29.4 | -179 | -73 | 175.3 | 179.4 | -172.5 | 0 | 113.5 | S107 T108 G113 | S107-R111 WeakPolarHBondContact O-CB 3.26Å; S107-R111 WeakPolarHBondContact O-CG 3.22Å; S107-R111 PolarHBondContact O-N 3Å; T108-R111 PolarHBondContact O-N 3.25Å; R111-G113 PolarHBondContact O-N 3.06Å |
| 112 | S | 61.4 | Low | 68.7 | Low | 80 Ų | 80 | 116 Ų | 116 | 56% | 0.559 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -75.9 | 73 | 171.6 | -73.2 | 0 | 0 | 0 | 0 | 110.4 | T108 N116 | T108-S112 PolarHBondContact O-N 3.28Å; T108-S112 PolarHBondContact O-OG 2.85Å; S112-N116 PolarHBondContact O-ND2 2.9Å |
| 113 | G | 63.6 | Low | 69 | Low | 64 Ų | 64 | 115.9 Ų | 115.9 | 66% | 0.66 | 56% | 0.563 | S | S | * | * | trans | -83.2 | 119.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R111 | R111-G113 PolarHBondContact O-N 3.06Š| ||
| 114 | K | 55.5 | Low | 69.3 | Low | 190 Ų | 190 | 115.8 Ų | 115.8 | 83% | 0.826 | 57% | 0.566 | S | S | * | * | S | Bend | -162.9 | -35.6 | 124.9 | -148.9 | 153.2 | 69.6 | 157.7 | 0 | 113.1 | |||
| 115 | D | 55.6 | Low | 69.7 | Low | 149 Ų | 149 | 110 Ų | 110 | 80% | 0.797 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -95 | -10.8 | -177 | -62.3 | -36 | 0 | 0 | 0 | 114.4 | R117 | D115-R117 PolarHBondContact O-N 2.99Š|
| 116 | N | 55.8 | Low | 70.2 | Confident | 43 Ų | 43 | 102 Ų | 102 | 23% | 0.23 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 0.2 | -169.1 | -62.3 | -46.8 | 0 | 0 | 0 | 115 | S112 R118 L119 L120 | S112-N116 PolarHBondContact O-ND2 2.9Å; N116-R118 VanDerWaalsContact C-N 3.28Å; N116-R118 PolarHBondContact O-N 3.09Å; N116-L119 PolarHBondContact O-N 3.38Å; N116-L119 VanDerWaalsContact O-N 3.11Å; N116-L120 WeakPolarHBondContact O-CG 3.26Å; N116-L120 PolarHBondContact O-N 2.78Å |
| 117 | R | 65 | Low | 70.8 | Confident | 205 Ų | 205 | 103 Ų | 103 | 77% | 0.774 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.6 | -35 | -172.8 | -177.1 | 171 | 146.1 | -147.5 | -4 | 113.1 | D115 C121 | D115-R117 PolarHBondContact O-N 2.99Å; R117-C121 PolarHBondContact O-N 3.32Å; R117-C121 PolarHBondContact O-SG 3.01Å |
| 118 | R | 67.7 | Low | 71.5 | Confident | 205 Ų | 205 | 104.5 Ų | 104.5 | 77% | 0.774 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.3 | -44.9 | 175.1 | -66.6 | -175.6 | -179.7 | -170.5 | 0.3 | 111.7 | N116 L120 C121 Y122 | N116-R118 VanDerWaalsContact C-N 3.28Å; N116-R118 PolarHBondContact O-N 3.09Å; R118-L120 VanDerWaalsContact C-N 3.32Å; R118-L120 PolarHBondContact O-N 3.43Å; R118-C121 PolarHBondContact O-N 2.77Å; R118-Y122 WeakPolarHBondContact O-CD2 3.35Å; R118-Y122 PolarHBondContact O-N 3.06Å |
| 119 | L | 75.5 | Confident | 72.2 | Confident | 100 Ų | 100 | 105.9 Ų | 105.9 | 52% | 0.524 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.4 | -40.8 | 176.7 | -69.4 | 173.2 | 0 | 0 | 0 | 111.5 | N116 Y122 V123 | N116-L119 PolarHBondContact O-N 3.38Å; N116-L119 VanDerWaalsContact O-N 3.11Å; L119-Y122 PolarHBondContact O-N 2.94Å; L119-V123 VanDerWaalsContact O-CG2 3.3Å; L119-V123 WeakPolarHBondContact O-CG2 3.29Å; L119-V123 PolarHBondContact O-N 3.01Å |
| 120 | L | 74.8 | Confident | 73.1 | Confident | 44 Ų | 44 | 103.1 Ų | 103.1 | 23% | 0.23 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 174.8 | -66 | 179.6 | 0 | 0 | 0 | 112.5 | F106 V110 N116 R118 Y122 V123 S124 | F106-L120 HydrophobicContact CE2-CD2 4.05Å; F106-L120 HydrophobicContact CZ-CD2 3.99Å; V110-L120 HydrophobicContact CB-CD1 4.42Å; V110-L120 HydrophobicContact CB-CD2 4.04Å; V110-L120 HydrophobicContact CG1-CD1 4.1Å; V110-L120 HydrophobicContact CG1-CD2 4.35Å; V110-L120 HydrophobicContact CG2-CD2 3.32Å; N116-L120 WeakPolarHBondContact O-CG 3.26Å; N116-L120 PolarHBondContact O-N 2.78Å; R118-L120 VanDerWaalsContact C-N 3.32Å; R118-L120 PolarHBondContact O-N 3.43Å; L120-Y122 VanDerWaalsContact C-N 3.33Å; L120-Y122 PolarHBondContact O-N 3.44Å; L120-V123 PolarHBondContact O-N 3.24Å; L120-S124 VanDerWaalsContact O-CB 3.29Å; L120-S124 WeakPolarHBondContact O-CB 3.23Å; L120-S124 PolarHBondContact O-N 3.22Å |
| 121 | C | 77.8 | Confident | 73.9 | Confident | 84 Ų | 84 | 106.8 Ų | 106.8 | 57% | 0.568 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.7 | -42.9 | 174.2 | -73.6 | 0 | 0 | 0 | 0 | 111.8 | R117 R118 G125 | R117-C121 PolarHBondContact O-N 3.32Å; R117-C121 PolarHBondContact O-SG 3.01Å; R118-C121 PolarHBondContact O-N 2.77Å; C121-G125 PolarHBondContact O-N 3.13Å |
| 122 | Y | 81.7 | Confident | 74.8 | Confident | 183 Ų | 183 | 103.4 Ų | 103.4 | 72% | 0.718 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.6 | -44.7 | 176.6 | -80.6 | -66.4 | 0 | 0 | 0 | 112.7 | R118 L119 L120 G125 G126 | R118-Y122 WeakPolarHBondContact O-CD2 3.35Å; R118-Y122 PolarHBondContact O-N 3.06Å; L119-Y122 PolarHBondContact O-N 2.94Å; L120-Y122 VanDerWaalsContact C-N 3.33Å; L120-Y122 PolarHBondContact O-N 3.44Å; Y122-G125 PolarHBondContact O-N 2.82Å; Y122-G126 PolarHBondContact O-N 3.46Å |
| 123 | V | 81.8 | Confident | 75.6 | Confident | 70 Ų | 70 | 104.8 Ų | 104.8 | 42% | 0.424 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 178.8 | 174.3 | 0 | 0 | 0 | 0 | 111 | F106 L119 L120 G126 L127 | F106-V123 HydrophobicContact CD2-CG1 4.47Å; F106-V123 HydrophobicContact CE2-CB 4.02Å; F106-V123 HydrophobicContact CE2-CG1 3.52Å; F106-V123 HydrophobicContact CE2-CG2 4.2Å; F106-V123 HydrophobicContact CZ-CB 4.22Å; F106-V123 HydrophobicContact CZ-CG1 3.62Å; L119-V123 VanDerWaalsContact O-CG2 3.3Å; L119-V123 WeakPolarHBondContact O-CG2 3.29Å; L119-V123 PolarHBondContact O-N 3.01Å; L120-V123 PolarHBondContact O-N 3.24Å; V123-G126 PolarHBondContact O-N 2.77Å; V123-L127 WeakPolarHBondContact O-CB 3.13Å; V123-L127 PolarHBondContact O-N 3Å |
| 124 | S | 81.9 | Confident | 76.5 | Confident | 76 Ų | 76 | 106.7 Ų | 106.7 | 53% | 0.531 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 175.7 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | L120 L127 V128 | L120-S124 VanDerWaalsContact O-CB 3.29Å; L120-S124 WeakPolarHBondContact O-CB 3.23Å; L120-S124 PolarHBondContact O-N 3.22Å; S124-L127 PolarHBondContact O-N 3.42Å; S124-V128 WeakPolarHBondContact O-CG2 3.11Å; S124-V128 PolarHBondContact O-N 3.32Å |
| 125 | G | 85.3 | Confident | 77.7 | Confident | 36 Ų | 36 | 105.4 Ų | 105.4 | 37% | 0.371 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C121 Y122 L127 V128 L129 | C121-G125 PolarHBondContact O-N 3.13Å; Y122-G125 PolarHBondContact O-N 2.82Å; G125-L127 VanDerWaalsContact C-N 3.35Å; G125-L127 PolarHBondContact O-N 3.47Å; G125-V128 PolarHBondContact O-N 2.99Å; G125-L129 WeakPolarHBondContact O-CG 3.44Å; G125-L129 PolarHBondContact O-N 3.33Å |
| 126 | G | 85.6 | Confident | 78.7 | Confident | 37 Ų | 37 | 104.9 Ų | 104.9 | 38% | 0.381 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y122 V123 L129 A130 | Y122-G126 PolarHBondContact O-N 3.46Å; V123-G126 PolarHBondContact O-N 2.77Å; G126-L129 PolarHBondContact O-N 2.76Å; G126-A130 VanDerWaalsContact O-CB 3.31Å; G126-A130 WeakPolarHBondContact O-CB 3.27Å; G126-A130 PolarHBondContact O-N 3.36Å |
| 127 | L | 83.3 | Confident | 79.5 | Confident | 102 Ų | 102 | 107.5 Ų | 107.5 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 176.3 | -174.6 | 65.2 | 0 | 0 | 0 | 111.2 | V123 S124 G125 L129 A130 F131 | V123-L127 WeakPolarHBondContact O-CB 3.13Å; V123-L127 PolarHBondContact O-N 3Å; S124-L127 PolarHBondContact O-N 3.42Å; G125-L127 VanDerWaalsContact C-N 3.35Å; G125-L127 PolarHBondContact O-N 3.47Å; L127-L129 PolarHBondContact O-N 2.89Å; L127-A130 PolarHBondContact O-N 2.87Å; L127-F131 HydrophobicContact CD1-CD2 4.03Å; L127-F131 HydrophobicContact CD1-CE2 3.6Å; L127-F131 HydrophobicContact CD2-CE2 4.23Å; L127-F131 HydrophobicContact CG-CD2 3.88Å; L127-F131 HydrophobicContact CG-CE2 3.68Å; L127-F131 WeakPolarHBondContact O-CD2 3.09Å; L127-F131 PolarHBondContact O-N 3.37Å |
| 128 | V | 84.6 | Confident | 79.8 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 177.5 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | S124 G125 A130 F131 F132 | S124-V128 WeakPolarHBondContact O-CG2 3.11Å; S124-V128 PolarHBondContact O-N 3.32Å; G125-V128 PolarHBondContact O-N 2.99Å; V128-A130 PolarHBondContact O-N 2.99Å; V128-F131 WeakPolarHBondContact O-CB 3.34Å; V128-F131 PolarHBondContact O-N 3.42Å; V128-F132 HydrophobicContact CG1-CD2 3.74Å; V128-F132 HydrophobicContact CG1-CE2 3.61Å; V128-F132 VanDerWaalsContact O-CD2 3.23Å; V128-F132 WeakPolarHBondContact O-CD2 3.21Å; V128-F132 PolarHBondContact O-N 3.19Å |
| 129 | L | 84.6 | Confident | 80 | Confident | 114 Ų | 114 | 93.1 Ų | 93.1 | 60% | 0.597 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 176.4 | -74.7 | 171.8 | 0 | 0 | 0 | 112.6 | G125 G126 L127 F131 F132 L133 | G125-L129 WeakPolarHBondContact O-CG 3.44Å; G125-L129 PolarHBondContact O-N 3.33Å; G126-L129 PolarHBondContact O-N 2.76Å; L127-L129 PolarHBondContact O-N 2.89Å; L129-F131 VanDerWaalsContact C-N 3.33Å; L129-F131 PolarHBondContact O-N 3.02Å; L129-F132 PolarHBondContact O-N 3.36Å; L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.02Å; L129-L133 PolarHBondContact O-N 3.1Å |
| 130 | A | 82.8 | Confident | 79.5 | Confident | 44 Ų | 44 | 95.2 Ų | 95.2 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G126 L127 V128 L133 L134 | G126-A130 VanDerWaalsContact O-CB 3.31Å; G126-A130 WeakPolarHBondContact O-CB 3.27Å; G126-A130 PolarHBondContact O-N 3.36Å; L127-A130 PolarHBondContact O-N 2.87Å; V128-A130 PolarHBondContact O-N 2.99Å; A130-L133 PolarHBondContact O-N 2.79Å; A130-L134 WeakPolarHBondContact O-CB 3.11Å; A130-L134 VanDerWaalsContact O-CG 3.3Å; A130-L134 WeakPolarHBondContact O-CG 3.38Å; A130-L134 PolarHBondContact O-N 3.47Å |
| 131 | F | 84.5 | Confident | 78.6 | Confident | 134 Ų | 134 | 99.3 Ų | 99.3 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -45 | 173.9 | -87.9 | -71.5 | 0 | 0 | 0 | 112.5 | L127 V128 L129 L134 Y135 | L127-F131 HydrophobicContact CD1-CD2 4.03Å; L127-F131 HydrophobicContact CD1-CE2 3.6Å; L127-F131 HydrophobicContact CD2-CE2 4.23Å; L127-F131 HydrophobicContact CG-CD2 3.88Å; L127-F131 HydrophobicContact CG-CE2 3.68Å; L127-F131 WeakPolarHBondContact O-CD2 3.09Å; L127-F131 PolarHBondContact O-N 3.37Å; V128-F131 WeakPolarHBondContact O-CB 3.34Å; V128-F131 PolarHBondContact O-N 3.42Å; L129-F131 VanDerWaalsContact C-N 3.33Å; L129-F131 PolarHBondContact O-N 3.02Å; F131-L134 PolarHBondContact O-N 3.48Å; F131-Y135 WeakPolarHBondContact O-CB 3.33Å; F131-Y135 PolarHBondContact O-N 3.25Å |
| 132 | F | 81.9 | Confident | 77.4 | Confident | 137 Ų | 137 | 103 Ų | 103 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 176.4 | -85.1 | -75.7 | 0 | 0 | 0 | 112.3 | V128 L129 Y135 Y136 | V128-F132 HydrophobicContact CG1-CD2 3.74Å; V128-F132 HydrophobicContact CG1-CE2 3.61Å; V128-F132 VanDerWaalsContact O-CD2 3.23Å; V128-F132 WeakPolarHBondContact O-CD2 3.21Å; V128-F132 PolarHBondContact O-N 3.19Å; L129-F132 PolarHBondContact O-N 3.36Å; F132-Y135 PolarHBondContact O-N 3.07Å; F132-Y136 WeakPolarHBondContact O-CB 3.4Å; F132-Y136 PolarHBondContact O-N 3.48Å |
| 133 | L | 78.1 | Confident | 75.6 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -43.9 | 176.3 | -73.6 | 171.3 | 0 | 0 | 0 | 111.7 | L129 A130 Y136 L137 | L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.02Å; L129-L133 PolarHBondContact O-N 3.1Å; A130-L133 PolarHBondContact O-N 2.79Å; L133-Y136 PolarHBondContact O-N 3.34Å; L133-L137 WeakPolarHBondContact O-CB 3.21Å; L133-L137 VanDerWaalsContact O-CG 3.29Å; L133-L137 WeakPolarHBondContact O-CG 3.37Å; L133-L137 PolarHBondContact O-N 3.26Å |
| 134 | L | 83.1 | Confident | 75.3 | Confident | 104 Ų | 104 | 102.7 Ų | 102.7 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 175.2 | -73.4 | 176.7 | 0 | 0 | 0 | 111.4 | A130 F131 Y136 L137 V138 | A130-L134 WeakPolarHBondContact O-CB 3.11Å; A130-L134 VanDerWaalsContact O-CG 3.3Å; A130-L134 WeakPolarHBondContact O-CG 3.38Å; A130-L134 PolarHBondContact O-N 3.47Å; F131-L134 PolarHBondContact O-N 3.48Å; L134-Y136 VanDerWaalsContact C-N 3.35Å; L134-Y136 PolarHBondContact O-N 3.2Å; L134-L137 PolarHBondContact O-N 3.19Å; L134-V138 WeakPolarHBondContact O-CB 3.44Å; L134-V138 VanDerWaalsContact O-CG2 3.25Å; L134-V138 WeakPolarHBondContact O-CG2 3.42Å; L134-V138 PolarHBondContact O-N 3.19Å |
| 135 | Y | 80.3 | Confident | 74.9 | Confident | 163 Ų | 163 | 104.1 Ų | 104.1 | 64% | 0.639 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.8 | -47.8 | 174.5 | 174.7 | -100.7 | 0 | 0 | 0 | 110.9 | F131 F132 L137 V138 S139 | F131-Y135 WeakPolarHBondContact O-CB 3.33Å; F131-Y135 PolarHBondContact O-N 3.25Å; F132-Y135 PolarHBondContact O-N 3.07Å; Y135-L137 PolarHBondContact O-N 3.36Å; Y135-V138 PolarHBondContact O-N 3.15Å; Y135-S139 VanDerWaalsContact O-CB 3.26Å; Y135-S139 WeakPolarHBondContact O-CB 3.49Å; Y135-S139 PolarHBondContact O-N 3.26Å; Y135-S139 PolarHBondContact O-OG 3.49Å |
| 136 | Y | 77.7 | Confident | 74.4 | Confident | 138 Ų | 138 | 107.9 Ų | 107.9 | 54% | 0.541 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.9 | -43.8 | 177.4 | -174.7 | -99.1 | 0 | 0 | 0 | 111.8 | F132 L133 L134 S139 R140 | F132-Y136 WeakPolarHBondContact O-CB 3.4Å; F132-Y136 PolarHBondContact O-N 3.48Å; L133-Y136 PolarHBondContact O-N 3.34Å; L134-Y136 VanDerWaalsContact C-N 3.35Å; L134-Y136 PolarHBondContact O-N 3.2Å; Y136-S139 PolarHBondContact O-N 3.31Å; Y136-R140 HydrophobicContact CD1-CG 3.9Å; Y136-R140 HydrophobicContact CD2-CG 4.39Å; Y136-R140 HydrophobicContact CE1-CG 3.59Å; Y136-R140 HydrophobicContact CE2-CG 4.11Å; Y136-R140 HydrophobicContact CG-CG 4.3Å; Y136-R140 VanDerWaalsContact O-CB 3.26Å; Y136-R140 WeakPolarHBondContact O-CB 3.49Å; Y136-R140 WeakPolarHBondContact O-CG 3.2Å; Y136-R140 PolarHBondContact O-N 2.74Å |
| 137 | L | 70.9 | Confident | 73.7 | Confident | 98 Ų | 98 | 112.1 Ų | 112.1 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.1 | -47 | 177 | -75.4 | 174.5 | 0 | 0 | 0 | 111.7 | L133 L134 Y135 R140 I141 | L133-L137 WeakPolarHBondContact O-CB 3.21Å; L133-L137 VanDerWaalsContact O-CG 3.29Å; L133-L137 WeakPolarHBondContact O-CG 3.37Å; L133-L137 PolarHBondContact O-N 3.26Å; L134-L137 PolarHBondContact O-N 3.19Å; Y135-L137 PolarHBondContact O-N 3.36Å; L137-R140 CarbonylContact O-C 3.54Å; L137-R140 PolarHBondContact O-N 3.21Å; L137-I141 WeakPolarHBondContact O-CB 3.44Å; L137-I141 VanDerWaalsContact O-CD1 3.32Å; L137-I141 WeakPolarHBondContact O-CD1 3.48Å; L137-I141 WeakPolarHBondContact O-CG1 3.47Å; L137-I141 PolarHBondContact O-N 3.3Å |
| 138 | V | 72.4 | Confident | 73.1 | Confident | 75 Ų | 75 | 112.7 Ų | 112.7 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.6 | -45.8 | 177 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L134 Y135 R140 I141 Q142 | L134-V138 WeakPolarHBondContact O-CB 3.44Å; L134-V138 VanDerWaalsContact O-CG2 3.25Å; L134-V138 WeakPolarHBondContact O-CG2 3.42Å; L134-V138 PolarHBondContact O-N 3.19Å; Y135-V138 PolarHBondContact O-N 3.15Å; V138-R140 VanDerWaalsContact C-N 3.29Å; V138-R140 PolarHBondContact O-N 3.17Å; V138-I141 PolarHBondContact O-N 3.31Å; V138-Q142 WeakPolarHBondContact O-CB 3.45Å; V138-Q142 PolarHBondContact O-N 2.99Å |
| 139 | S | 71.1 | Confident | 72.3 | Confident | 32 Ų | 32 | 115.3 Ų | 115.3 | 22% | 0.224 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -63.1 | -33.6 | 175.6 | -65.2 | 0 | 0 | 0 | 0 | 112.7 | Y135 Y136 S143 | Y135-S139 VanDerWaalsContact O-CB 3.26Å; Y135-S139 WeakPolarHBondContact O-CB 3.49Å; Y135-S139 PolarHBondContact O-N 3.26Å; Y135-S139 PolarHBondContact O-OG 3.49Å; Y136-S139 PolarHBondContact O-N 3.31Å; S139-S143 WeakPolarHBondContact O-CB 3.25Å; S139-S143 PolarHBondContact O-N 3.42Å; S139-S143 PolarHBondContact O-OG 2.78Å |
| 140 | R | 66.1 | Low | 71.5 | Confident | 145 Ų | 145 | 115.4 Ų | 115.4 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -76.2 | -28.8 | 175.2 | -71.1 | -71.1 | -75.6 | 175.2 | -3.1 | 113.6 | Y136 L137 V138 | Y136-R140 HydrophobicContact CD1-CG 3.9Å; Y136-R140 HydrophobicContact CD2-CG 4.39Å; Y136-R140 HydrophobicContact CE1-CG 3.59Å; Y136-R140 HydrophobicContact CE2-CG 4.11Å; Y136-R140 HydrophobicContact CG-CG 4.3Å; Y136-R140 VanDerWaalsContact O-CB 3.26Å; Y136-R140 WeakPolarHBondContact O-CB 3.49Å; Y136-R140 WeakPolarHBondContact O-CG 3.2Å; Y136-R140 PolarHBondContact O-N 2.74Å; L137-R140 CarbonylContact O-C 3.54Å; L137-R140 PolarHBondContact O-N 3.21Å; V138-R140 VanDerWaalsContact C-N 3.29Å; V138-R140 PolarHBondContact O-N 3.17Å |
| 141 | I | 55.8 | Low | 70.6 | Confident | 130 Ų | 130 | 120.8 Ų | 120.8 | 67% | 0.667 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.4 | -30.1 | 172.6 | -66.3 | 159.6 | 0 | 0 | 0 | 110.1 | L137 V138 | L137-I141 WeakPolarHBondContact O-CB 3.44Å; L137-I141 VanDerWaalsContact O-CD1 3.32Å; L137-I141 WeakPolarHBondContact O-CD1 3.48Å; L137-I141 WeakPolarHBondContact O-CG1 3.47Å; L137-I141 PolarHBondContact O-N 3.3Å; V138-I141 PolarHBondContact O-N 3.31Å |
| 142 | Q | 52.4 | Low | 69.4 | Low | 161 Ų | 161 | 119.8 Ų | 119.8 | 75% | 0.752 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -87.1 | -13.9 | 180 | -170 | 174.4 | 0.3 | 0 | 0 | 113.8 | V138 | V138-Q142 WeakPolarHBondContact O-CB 3.45Å; V138-Q142 PolarHBondContact O-N 2.99Å |
| 143 | S | 43.5 | Very low | 68.3 | Low | 144 Ų | 144 | 118.2 Ų | 118.2 | 100% | 1.007 | 59% | 0.588 | S | S | * | * | trans | -97 | 0 | 176.1 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | S139 | S139-S143 WeakPolarHBondContact O-CB 3.25Å; S139-S143 PolarHBondContact O-N 3.42Å; S139-S143 PolarHBondContact O-OG 2.78Å |
Retrieved 143 of 143 residues in 303 ms
(Link to these results)