| 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 | 47.7 | Very low | 50.1 | Low | 234 Ų | 234 | 139.9 Ų | 139.9 | 100% | 1.153 | 83% | 0.831 | S | S | * | * | 0 | 86.7 | 0 | -69 | 145.1 | 72.2 | 0 | 0 | 106.4 | |||||
| 2 | S | 47.6 | Very low | 50.2 | Low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | 92.6 | 106.1 | 84.1 | -73.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 3 | K | 48.2 | Very low | 50.6 | Low | 206 Ų | 206 | 141.3 Ų | 141.3 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | 71.3 | 134.8 | 139.7 | -56.1 | 178 | 175.7 | -174.6 | 0 | 116.9 | ||||
| 4 | G | 46.2 | Very low | 51.1 | Low | 62 Ų | 62 | 141.4 Ų | 141.4 | 64% | 0.639 | 83% | 0.827 | S | S | * | * | cis | 132.1 | 116.5 | 15.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 5 | T | 48.7 | Very low | 51.3 | Low | 144 Ų | 144 | 138.5 Ų | 138.5 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | 48.1 | 119.5 | 146.6 | 62.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 6 | S | 51.1 | Low | 51.6 | Low | 108 Ų | 108 | 144.7 Ų | 144.7 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | -162 | 126.3 | 125.8 | -165.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 7 | S | 50.4 | Low | 51.7 | Low | 103 Ų | 103 | 141.1 Ų | 141.1 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -90 | 126.4 | 170.4 | 47.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 8 | D | 56.2 | Low | 52.4 | Low | 156 Ų | 156 | 138.2 Ų | 138.2 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -126.3 | 98.1 | 166.2 | -90.4 | -40.9 | 0 | 0 | 0 | 110.1 | S10 | D8-S10 PolarHBondContact O-N 3.2Š| ||
| 9 | T | 48.4 | Very low | 53.4 | Low | 135 Ų | 135 | 141.1 Ų | 141.1 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | -82.8 | 98.7 | 167.4 | -50.6 | 0 | 0 | 0 | 0 | 107.3 | L11 | T9-L11 PolarHBondContact O-N 3.31Š| ||
| 10 | S | 53.5 | Low | 54.6 | Low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -74.8 | 112.4 | 176.4 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | D8 G12 | D8-S10 PolarHBondContact O-N 3.2Å; S10-G12 PolarHBondContact O-N 2.98Å | ||
| 11 | L | 53.3 | Low | 55.8 | Low | 173 Ų | 173 | 138.4 Ų | 138.4 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -49.6 | 120.5 | 175.6 | -79.2 | 158.1 | 0 | 0 | 0 | 112.4 | T9 R13 | T9-L11 PolarHBondContact O-N 3.31Å; L11-R13 PolarHBondContact O-N 3.01Å | ||
| 12 | G | 51.3 | Low | 57.5 | Low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -61.4 | 111.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S10 V14 | S10-G12 PolarHBondContact O-N 2.98Å; G12-V14 PolarHBondContact O-N 2.77Å | ||
| 13 | R | 55 | Low | 59.3 | Low | 229 Ų | 229 | 129.6 Ų | 129.6 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -67.3 | 105.5 | 172.9 | 178.3 | 173 | -73.1 | 146.3 | -1.5 | 109.4 | L11 S15 | L11-R13 PolarHBondContact O-N 3.01Å; R13-S15 PolarHBondContact O-N 3.16Å; R13-S15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | V | 58 | Low | 61.3 | Low | 142 Ų | 142 | 123.4 Ų | 123.4 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | -75.4 | 92.2 | 171 | -166.2 | 0 | 0 | 0 | 0 | 108.1 | G12 R16 | G12-V14 PolarHBondContact O-N 2.77Å; V14-R16 PolarHBondContact O-N 3.41Å; V14-R16 VanDerWaalsContact O-N 3.09Å | ||
| 15 | S | 53.8 | Low | 63.4 | Low | 98 Ų | 98 | 123.9 Ų | 123.9 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | -70.9 | 101.9 | 172.2 | -72.2 | 0 | 0 | 0 | 0 | 109.3 | R13 A17 | R13-S15 PolarHBondContact O-N 3.16Å; R13-S15 VanDerWaalsContact O-N 3.09Å; S15-A17 PolarHBondContact O-N 3.36Å; S15-A17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | R | 56.3 | Low | 65.5 | Low | 238 Ų | 238 | 121.6 Ų | 121.6 | 90% | 0.898 | 73% | 0.728 | S | S | * | * | trans | -47.5 | 115.2 | 164.5 | -170.7 | 177.3 | -164 | 160.7 | 3.1 | 108.3 | V14 A18 | V14-R16 PolarHBondContact O-N 3.41Å; V14-R16 VanDerWaalsContact O-N 3.09Å; R16-A18 PolarHBondContact O-N 2.97Å | ||
| 17 | A | 53.3 | Low | 67.4 | Low | 83 Ų | 83 | 121 Ų | 121 | 69% | 0.686 | 72% | 0.715 | S | S | * | * | trans | -59.5 | 103.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S15 F19 | S15-A17 PolarHBondContact O-N 3.36Å; S15-A17 VanDerWaalsContact O-N 3.14Å; A17-F19 PolarHBondContact O-N 3.03Å | ||
| 18 | A | 63.7 | Low | 69.4 | Low | 90 Ų | 90 | 119.1 Ų | 119.1 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | trans | -76.6 | 112.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | R16 | R16-A18 PolarHBondContact O-N 2.97Š| ||
| 19 | F | 72.8 | Confident | 71.2 | Confident | 193 Ų | 193 | 116.5 Ų | 116.5 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 123.4 | 172.2 | -71.3 | -82.3 | 0 | 0 | 0 | 108.4 | A17 S21 | A17-F19 PolarHBondContact O-N 3.03Å; F19-S21 PolarHBondContact O-N 2.76Å |
| 20 | P | 77.6 | Confident | 73.3 | Confident | 120 Ų | 120 | 114.6 Ų | 114.6 | 78% | 0.779 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 130.4 | 174.9 | 26 | -31.7 | 0 | 0 | 0 | 108.5 | ||
| 21 | S | 79.5 | Confident | 75.2 | Confident | 106 Ų | 106 | 112.6 Ų | 112.6 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 136 | 171.8 | -60.2 | 0 | 0 | 0 | 0 | 109 | F19 T23 | F19-S21 PolarHBondContact O-N 2.76Å; S21-T23 PolarHBondContact O-N 2.97Å |
| 22 | P | 82.1 | Confident | 77.1 | Confident | 63 Ų | 63 | 111.5 Ų | 111.5 | 41% | 0.409 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 135.2 | -177.8 | 20 | -30 | 0 | 0 | 0 | 110.2 | E26 M27 | P22-E26 VanDerWaalsContact CA-OE2 3.31Å; P22-E26 WeakPolarHBondContact CA-OE2 3.26Å; P22-E26 HydrophobicContact CB-CB 4.21Å; P22-M27 HydrophobicContact CB-CG 4.12Å; P22-M27 HydrophobicContact CG-CE 4.41Å; P22-M27 HydrophobicContact CG-CG 4.19Å; P22-M27 WeakPolarHBondContact O-CE 3.2Å |
| 23 | T | 86.4 | Confident | 79.1 | Confident | 88 Ų | 88 | 112 Ų | 112 | 54% | 0.54 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 154.2 | 177.7 | -50.5 | 0 | 0 | 0 | 0 | 109.2 | S21 A25 E26 M27 | S21-T23 PolarHBondContact O-N 2.97Å; T23-A25 PolarHBondContact O-N 2.84Å; T23-A25 VanDerWaalsContact O-N 3.07Å; T23-E26 PolarHBondContact N-OE2 2.95Å; T23-E26 WeakPolarHBondContact O-CA 3.3Å; T23-E26 WeakPolarHBondContact O-CB 3.49Å; T23-E26 PolarHBondContact O-N 3.32Å; T23-E26 PolarHBondContact OG1-OE2 3.3Å; T23-M27 PolarHBondContact O-N 3.39Å |
| 24 | A | 90.1 | Very high | 81 | Confident | 76 Ų | 76 | 106 Ų | 106 | 63% | 0.628 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -53.2 | -33 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A28 | A24-A28 WeakPolarHBondContact O-CB 3.37Å; A24-A28 PolarHBondContact O-N 2.79Å |
| 25 | A | 90.3 | Very high | 82.7 | Confident | 71 Ų | 71 | 106.7 Ų | 106.7 | 59% | 0.587 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.9 | -42.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T23 A28 E29 | T23-A25 PolarHBondContact O-N 2.84Å; T23-A25 VanDerWaalsContact O-N 3.07Å; A25-A28 PolarHBondContact O-N 3.17Å; A25-E29 PolarHBondContact O-N 3.45Å |
| 26 | E | 91.7 | Very high | 84.6 | Confident | 96 Ų | 96 | 107.1 Ų | 107.1 | 45% | 0.449 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.6 | -40.6 | 176.5 | -65.4 | 174.1 | 137.8 | 0 | 0 | 110.9 | P22 T23 A28 E29 I30 | P22-E26 VanDerWaalsContact CA-OE2 3.31Å; P22-E26 WeakPolarHBondContact CA-OE2 3.26Å; P22-E26 HydrophobicContact CB-CB 4.21Å; T23-E26 PolarHBondContact N-OE2 2.95Å; T23-E26 WeakPolarHBondContact O-CA 3.3Å; T23-E26 WeakPolarHBondContact O-CB 3.49Å; T23-E26 PolarHBondContact O-N 3.32Å; T23-E26 PolarHBondContact OG1-OE2 3.3Å; E26-A28 VanDerWaalsContact C-N 3.3Å; E26-A28 PolarHBondContact O-N 3.42Å; E26-E29 PolarHBondContact O-N 2.91Å; E26-I30 WeakPolarHBondContact O-CB 3.24Å; E26-I30 WeakPolarHBondContact O-CD1 3.3Å; E26-I30 WeakPolarHBondContact O-CG1 3.31Å; E26-I30 PolarHBondContact O-N 3.07Å |
| 27 | M | 91.5 | Very high | 86.4 | Confident | 97 Ų | 97 | 101.6 Ų | 101.6 | 48% | 0.478 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.3 | -39 | 174.3 | -64 | -170.1 | -138.8 | 0 | 0 | 112.1 | P22 T23 S31 | P22-M27 HydrophobicContact CB-CG 4.12Å; P22-M27 HydrophobicContact CG-CE 4.41Å; P22-M27 HydrophobicContact CG-CG 4.19Å; P22-M27 WeakPolarHBondContact O-CE 3.2Å; T23-M27 PolarHBondContact O-N 3.39Å; M27-S31 WeakPolarHBondContact O-CB 3.32Å; M27-S31 PolarHBondContact O-N 3.12Å; M27-S31 PolarHBondContact O-OG 2.97Å |
| 28 | A | 93.3 | Very high | 88.2 | Confident | 62 Ų | 62 | 102.8 Ų | 102.8 | 51% | 0.512 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.3 | -38.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A24 A25 E26 S31 R32 | A24-A28 WeakPolarHBondContact O-CB 3.37Å; A24-A28 PolarHBondContact O-N 2.79Å; A25-A28 PolarHBondContact O-N 3.17Å; E26-A28 VanDerWaalsContact C-N 3.3Å; E26-A28 PolarHBondContact O-N 3.42Å; A28-S31 PolarHBondContact O-N 3.22Å; A28-R32 PolarHBondContact O-N 3.36Å |
| 29 | E | 93.5 | Very high | 89.6 | Confident | 102 Ų | 102 | 104.6 Ų | 104.6 | 48% | 0.477 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.8 | -43.2 | 175.8 | -174.8 | 162.7 | -155.5 | 0 | 0 | 112 | A25 E26 S31 R32 I33 | A25-E29 PolarHBondContact O-N 3.45Å; E26-E29 PolarHBondContact O-N 2.91Å; E29-S31 VanDerWaalsContact C-N 3.3Å; E29-S31 PolarHBondContact O-N 2.77Å; E29-R32 WeakPolarHBondContact O-CB 3.45Å; E29-R32 PolarHBondContact O-N 3.31Å; E29-R32 VanDerWaalsContact O-N 3.14Å; E29-I33 HydrophobicContact CG-CD1 3.96Å; E29-I33 VanDerWaalsContact O-CG1 3.31Å; E29-I33 WeakPolarHBondContact O-CG1 3.31Å; E29-I33 PolarHBondContact O-N 3.37Å |
| 30 | I | 92.4 | Very high | 90.6 | Very high | 95 Ų | 95 | 99.4 Ų | 99.4 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 173.4 | -68.2 | 162.3 | 0 | 0 | 0 | 110.2 | E26 R32 I33 Q34 | E26-I30 WeakPolarHBondContact O-CB 3.24Å; E26-I30 WeakPolarHBondContact O-CD1 3.3Å; E26-I30 WeakPolarHBondContact O-CG1 3.31Å; E26-I30 PolarHBondContact O-N 3.07Å; I30-R32 VanDerWaalsContact C-N 3.31Å; I30-R32 PolarHBondContact O-N 3.45Å; I30-I33 PolarHBondContact O-N 3.45Å; I30-Q34 WeakPolarHBondContact O-CB 3.3Å; I30-Q34 PolarHBondContact O-N 2.75Å |
| 31 | S | 93 | Very high | 91.3 | Very high | 73 Ų | 73 | 98.8 Ų | 98.8 | 51% | 0.51 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 177.8 | -56.7 | 0 | 0 | 0 | 0 | 112 | M27 A28 E29 Y35 | M27-S31 WeakPolarHBondContact O-CB 3.32Å; M27-S31 PolarHBondContact O-N 3.12Å; M27-S31 PolarHBondContact O-OG 2.97Å; A28-S31 PolarHBondContact O-N 3.22Å; E29-S31 VanDerWaalsContact C-N 3.3Å; E29-S31 PolarHBondContact O-N 2.77Å; S31-Y35 PolarHBondContact O-N 3.13Å |
| 32 | R | 94.3 | Very high | 91.9 | Very high | 150 Ų | 150 | 95.3 Ų | 95.3 | 57% | 0.566 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.5 | -46.7 | 176 | -167.5 | -170.2 | 80.7 | -167.3 | -3.4 | 111.7 | A28 E29 I30 Q34 Y35 E36 | A28-R32 PolarHBondContact O-N 3.36Å; E29-R32 WeakPolarHBondContact O-CB 3.45Å; E29-R32 PolarHBondContact O-N 3.31Å; E29-R32 VanDerWaalsContact O-N 3.14Å; I30-R32 VanDerWaalsContact C-N 3.31Å; I30-R32 PolarHBondContact O-N 3.45Å; R32-Q34 VanDerWaalsContact C-N 3.32Å; R32-Y35 PolarHBondContact O-N 2.93Å; R32-E36 WeakPolarHBondContact O-CB 3.43Å; R32-E36 PolarHBondContact O-N 3.01Å |
| 33 | I | 93.1 | Very high | 92.4 | Very high | 79 Ų | 79 | 94.6 Ų | 94.6 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 179.4 | -66.2 | 163.7 | 0 | 0 | 0 | 110 | E29 I30 E36 M37 | E29-I33 HydrophobicContact CG-CD1 3.96Å; E29-I33 VanDerWaalsContact O-CG1 3.31Å; E29-I33 WeakPolarHBondContact O-CG1 3.31Å; E29-I33 PolarHBondContact O-N 3.37Å; I30-I33 PolarHBondContact O-N 3.45Å; I33-E36 PolarHBondContact O-N 2.96Å; I33-M37 HydrophobicContact CG2-CE 4.17Å; I33-M37 VanDerWaalsContact O-CB 3.27Å; I33-M37 WeakPolarHBondContact O-CB 3.46Å; I33-M37 PolarHBondContact O-N 2.82Å |
| 34 | Q | 93.4 | Very high | 92.6 | Very high | 104 Ų | 104 | 94 Ų | 94 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 177 | -175.2 | 178.4 | -8 | 0 | 0 | 111.4 | I30 R32 E36 M37 E38 | I30-Q34 WeakPolarHBondContact O-CB 3.3Å; I30-Q34 PolarHBondContact O-N 2.75Å; R32-Q34 VanDerWaalsContact C-N 3.32Å; Q34-E36 VanDerWaalsContact C-N 3.34Å; Q34-E36 PolarHBondContact O-N 3.16Å; Q34-M37 PolarHBondContact O-N 3.21Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.23Å; Q34-E38 PolarHBondContact NE2-OE1 2.91Å; Q34-E38 WeakPolarHBondContact O-CG 3.47Å; Q34-E38 PolarHBondContact O-N 2.92Å |
| 35 | Y | 94.8 | Very high | 92.6 | Very high | 156 Ų | 156 | 96.9 Ų | 96.9 | 61% | 0.612 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.7 | -43.8 | 176.2 | 178.6 | -95.5 | 0 | 0 | 0 | 112.3 | S31 R32 M37 E38 Y39 | S31-Y35 PolarHBondContact O-N 3.13Å; R32-Y35 PolarHBondContact O-N 2.93Å; Y35-M37 VanDerWaalsContact C-N 3.34Å; Y35-E38 PolarHBondContact O-N 3.17Å; Y35-Y39 WeakPolarHBondContact O-CB 3.29Å; Y35-Y39 PolarHBondContact O-N 3.03Å |
| 36 | E | 94.3 | Very high | 92.6 | Very high | 108 Ų | 108 | 101.8 Ų | 101.8 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 179.7 | -170.1 | 175.3 | 179.7 | 0 | 0 | 112.1 | R32 I33 Q34 T40 | R32-E36 WeakPolarHBondContact O-CB 3.43Å; R32-E36 PolarHBondContact O-N 3.01Å; I33-E36 PolarHBondContact O-N 2.96Å; Q34-E36 VanDerWaalsContact C-N 3.34Å; Q34-E36 PolarHBondContact O-N 3.16Å; E36-T40 WeakPolarHBondContact O-CB 3.46Å; E36-T40 PolarHBondContact O-N 3.49Å; E36-T40 PolarHBondContact O-OG1 2.89Å |
| 37 | M | 92.2 | Very high | 92.5 | Very high | 121 Ų | 121 | 103.2 Ų | 103.2 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.4 | -51.6 | 175.3 | -169.9 | -176.4 | -47.6 | 0 | 0 | 111.1 | I33 Q34 Y35 Y39 T40 E41 | I33-M37 HydrophobicContact CG2-CE 4.17Å; I33-M37 VanDerWaalsContact O-CB 3.27Å; I33-M37 WeakPolarHBondContact O-CB 3.46Å; I33-M37 PolarHBondContact O-N 2.82Å; Q34-M37 PolarHBondContact O-N 3.21Å; Y35-M37 VanDerWaalsContact C-N 3.34Å; M37-Y39 VanDerWaalsContact C-N 3.32Å; M37-Y39 PolarHBondContact O-N 3.45Å; M37-T40 PolarHBondContact O-N 2.82Å; M37-E41 WeakPolarHBondContact O-CB 3.45Å; M37-E41 PolarHBondContact O-N 3.36Å |
| 38 | E | 92.2 | Very high | 92.2 | Very high | 109 Ų | 109 | 109.1 Ų | 109.1 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 177 | -70.2 | 173.1 | -168.4 | 0 | 0 | 111.8 | Q34 Y35 G42 | Q34-E38 WeakPolarHBondContact CG-OE1 3.23Å; Q34-E38 PolarHBondContact NE2-OE1 2.91Å; Q34-E38 WeakPolarHBondContact O-CG 3.47Å; Q34-E38 PolarHBondContact O-N 2.92Å; Y35-E38 PolarHBondContact O-N 3.17Å; E38-G42 PolarHBondContact O-N 3.2Å |
| 39 | Y | 93.8 | Very high | 91.8 | Very high | 127 Ų | 127 | 112.2 Ų | 112.2 | 50% | 0.498 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 176.7 | 179.4 | -98.6 | 0 | 0 | 0 | 111.8 | Y35 M37 G42 I43 | Y35-Y39 WeakPolarHBondContact O-CB 3.29Å; Y35-Y39 PolarHBondContact O-N 3.03Å; M37-Y39 VanDerWaalsContact C-N 3.32Å; M37-Y39 PolarHBondContact O-N 3.45Å; Y39-G42 PolarHBondContact O-N 3.46Å; Y39-I43 HydrophobicContact CD1-CD1 3.99Å; Y39-I43 HydrophobicContact CD1-CG1 4.45Å; Y39-I43 HydrophobicContact CD2-CD1 4.38Å; Y39-I43 HydrophobicContact CE1-CD1 3.29Å; Y39-I43 HydrophobicContact CE1-CG1 4.21Å; Y39-I43 HydrophobicContact CE2-CD1 3.76Å; Y39-I43 HydrophobicContact CE2-CG1 4.33Å; Y39-I43 HydrophobicContact CG-CD1 4.5Å; Y39-I43 WeakPolarHBondContact O-CB 3.33Å; Y39-I43 WeakPolarHBondContact O-CG1 3.37Å; Y39-I43 PolarHBondContact O-N 3.48Å; Y39-I43 VanDerWaalsContact OH-CD1 3.3Å; Y39-I43 WeakPolarHBondContact OH-CD1 3.48Å |
| 40 | T | 92.8 | Very high | 91.4 | Very high | 84 Ų | 84 | 111.2 Ų | 111.2 | 52% | 0.515 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 179.8 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | E36 M37 I43 S44 | E36-T40 WeakPolarHBondContact O-CB 3.46Å; E36-T40 PolarHBondContact O-N 3.49Å; E36-T40 PolarHBondContact O-OG1 2.89Å; M37-T40 PolarHBondContact O-N 2.82Å; T40-I43 PolarHBondContact O-N 3.1Å; T40-S44 WeakPolarHBondContact O-CB 3.41Å; T40-S44 PolarHBondContact O-N 3.1Å; T40-S44 PolarHBondContact O-OG 2.79Å |
| 41 | E | 92.5 | Very high | 91 | Very high | 108 Ų | 108 | 115.6 Ų | 115.6 | 51% | 0.505 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.8 | -49.6 | 174.9 | -178.8 | 172.2 | -167.2 | 0 | 0 | 111.1 | M37 I43 S44 Q45 | M37-E41 WeakPolarHBondContact O-CB 3.45Å; M37-E41 PolarHBondContact O-N 3.36Å; E41-I43 VanDerWaalsContact C-N 3.32Å; E41-I43 PolarHBondContact O-N 3.24Å; E41-S44 PolarHBondContact O-N 2.91Å; E41-S44 VanDerWaalsContact O-N 3.11Å; E41-S44 PolarHBondContact O-OG 3.49Å; E41-Q45 VanDerWaalsContact CG-NE2 3.3Å; E41-Q45 WeakPolarHBondContact O-CG 3.22Å; E41-Q45 PolarHBondContact O-N 3.46Å; E41-Q45 PolarHBondContact OE1-NE2 3.05Å; E41-Q45 VanDerWaalsContact OE1-NE2 3.08Å |
| 42 | G | 92.7 | Very high | 90.6 | Very high | 33 Ų | 33 | 119.9 Ų | 119.9 | 34% | 0.34 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.4 | -40.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | E38 Y39 R46 | E38-G42 PolarHBondContact O-N 3.2Å; Y39-G42 PolarHBondContact O-N 3.46Å; G42-R46 WeakPolarHBondContact O-CD 3.31Å; G42-R46 WeakPolarHBondContact O-CG 3.45Å; G42-R46 PolarHBondContact O-N 3.4Å |
| 43 | I | 92.1 | Very high | 89.9 | Confident | 47 Ų | 47 | 120 Ų | 120 | 24% | 0.241 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -66.4 | -44.9 | 174.1 | -69.8 | -164.1 | 0 | 0 | 0 | 111.4 | Y39 T40 E41 Q45 R46 M47 | Y39-I43 HydrophobicContact CD1-CD1 3.99Å; Y39-I43 HydrophobicContact CD1-CG1 4.45Å; Y39-I43 HydrophobicContact CD2-CD1 4.38Å; Y39-I43 HydrophobicContact CE1-CD1 3.29Å; Y39-I43 HydrophobicContact CE1-CG1 4.21Å; Y39-I43 HydrophobicContact CE2-CD1 3.76Å; Y39-I43 HydrophobicContact CE2-CG1 4.33Å; Y39-I43 HydrophobicContact CG-CD1 4.5Å; Y39-I43 WeakPolarHBondContact O-CB 3.33Å; Y39-I43 WeakPolarHBondContact O-CG1 3.37Å; Y39-I43 PolarHBondContact O-N 3.48Å; Y39-I43 VanDerWaalsContact OH-CD1 3.3Å; Y39-I43 WeakPolarHBondContact OH-CD1 3.48Å; T40-I43 PolarHBondContact O-N 3.1Å; E41-I43 VanDerWaalsContact C-N 3.32Å; E41-I43 PolarHBondContact O-N 3.24Å; I43-Q45 VanDerWaalsContact C-N 3.26Å; I43-Q45 PolarHBondContact O-N 2.96Å; I43-R46 WeakPolarHBondContact O-CG 3.33Å; I43-R46 PolarHBondContact O-N 2.84Å; I43-M47 HydrophobicContact CG2-CB 4.3Å; I43-M47 HydrophobicContact CG2-CG 3.66Å; I43-M47 WeakPolarHBondContact O-CB 3.38Å; I43-M47 WeakPolarHBondContact O-CG 3.48Å; I43-M47 PolarHBondContact O-N 3.47Å |
| 44 | S | 89.6 | Confident | 89 | Confident | 77 Ų | 77 | 125.4 Ų | 125.4 | 54% | 0.538 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.1 | -36.6 | -178.9 | 74.5 | 0 | 0 | 0 | 0 | 112.5 | T40 E41 | T40-S44 WeakPolarHBondContact O-CB 3.41Å; T40-S44 PolarHBondContact O-N 3.1Å; T40-S44 PolarHBondContact O-OG 2.79Å; E41-S44 PolarHBondContact O-N 2.91Å; E41-S44 VanDerWaalsContact O-N 3.11Å; E41-S44 PolarHBondContact O-OG 3.49Å |
| 45 | Q | 90.3 | Very high | 88.2 | Confident | 135 Ų | 135 | 126.7 Ų | 126.7 | 63% | 0.631 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.4 | -38.3 | 179.5 | -66.6 | -178.8 | 21.3 | 0 | 0 | 112.5 | E41 I43 | E41-Q45 VanDerWaalsContact CG-NE2 3.3Å; E41-Q45 WeakPolarHBondContact O-CG 3.22Å; E41-Q45 PolarHBondContact O-N 3.46Å; E41-Q45 PolarHBondContact OE1-NE2 3.05Å; E41-Q45 VanDerWaalsContact OE1-NE2 3.08Å; I43-Q45 VanDerWaalsContact C-N 3.26Å; I43-Q45 PolarHBondContact O-N 2.96Å |
| 46 | R | 90.8 | Very high | 87.1 | Confident | 174 Ų | 174 | 123 Ų | 123 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -84 | -30 | -178.6 | 70.4 | -167.6 | -98.1 | -105.3 | -9.6 | 113.9 | G42 I43 R48 | G42-R46 WeakPolarHBondContact O-CD 3.31Å; G42-R46 WeakPolarHBondContact O-CG 3.45Å; G42-R46 PolarHBondContact O-N 3.4Å; I43-R46 WeakPolarHBondContact O-CG 3.33Å; I43-R46 PolarHBondContact O-N 2.84Å; R46-R48 PolarHBondContact O-N 3.27Å |
| 47 | M | 89 | Confident | 85.8 | Confident | 126 Ų | 126 | 122.1 Ų | 122.1 | 62% | 0.621 | 62% | 0.62 | S | S | * | * | trans | -91.6 | 65.9 | -178.2 | -65 | -63.1 | -67.6 | 0 | 0 | 110.9 | I43 | I43-M47 HydrophobicContact CG2-CB 4.3Å; I43-M47 HydrophobicContact CG2-CG 3.66Å; I43-M47 WeakPolarHBondContact O-CB 3.38Å; I43-M47 WeakPolarHBondContact O-CG 3.48Å; I43-M47 PolarHBondContact O-N 3.47Å | ||
| 48 | R | 86.4 | Confident | 84.3 | Confident | 221 Ų | 221 | 121.6 Ų | 121.6 | 83% | 0.834 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -92 | 127.5 | 174 | -170.7 | 173.6 | 180 | 178 | -0.3 | 110.6 | R46 P50 | R46-R48 PolarHBondContact O-N 3.27Å; R48-P50 WeakPolarHBondContact O-CD 3.27Å |
| 49 | V | 85.3 | Confident | 82.1 | Confident | 127 Ų | 127 | 123.8 Ų | 123.8 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 123.2 | 172.1 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | ||
| 50 | P | 84.9 | Confident | 80.2 | Confident | 81 Ų | 81 | 122.1 Ų | 122.1 | 53% | 0.526 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 141.4 | 176.9 | -21.4 | 32.2 | 0 | 0 | 0 | 111.2 | R48 K52 | R48-P50 WeakPolarHBondContact O-CD 3.27Å; P50-K52 VanDerWaalsContact C-N 3.26Å; P50-K52 PolarHBondContact O-N 2.85Å |
| 51 | E | 83.8 | Confident | 78.2 | Confident | 187 Ų | 187 | 125.5 Ų | 125.5 | 87% | 0.874 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -64 | -32.9 | 177.6 | -171.5 | -174 | 156.3 | 0 | 0 | 112.2 | ||
| 52 | K | 83.8 | Confident | 76.3 | Confident | 164 Ų | 164 | 128.1 Ų | 128.1 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -137.6 | 130.2 | 177.3 | -64.2 | -177.4 | -65.6 | -171 | 0 | 110.1 | P50 K54 | P50-K52 VanDerWaalsContact C-N 3.26Å; P50-K52 PolarHBondContact O-N 2.85Å; K52-K54 PolarHBondContact O-N 3.44Å |
| 53 | L | 79.3 | Confident | 74.1 | Confident | 152 Ų | 152 | 133.4 Ų | 133.4 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | trans | -82.5 | 105.1 | 169 | -61.7 | 174.8 | 0 | 0 | 0 | 108.1 | V55 | L53-V55 PolarHBondContact O-N 3.02Š| ||
| 54 | K | 75.3 | Confident | 71.8 | Confident | 193 Ų | 193 | 139.4 Ų | 139.4 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | trans | -83.5 | 110.4 | 173 | -171.6 | 176.2 | 179.1 | -178.6 | 0 | 108.3 | K52 A56 | K52-K54 PolarHBondContact O-N 3.44Å; K54-A56 PolarHBondContact O-N 3.16Å | ||
| 55 | V | 75.6 | Confident | 69.3 | Low | 130 Ų | 130 | 138.6 Ų | 138.6 | 79% | 0.788 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 124.4 | 167.6 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | L53 | L53-V55 PolarHBondContact O-N 3.02Š|
| 56 | A | 71.4 | Confident | 66.6 | Low | 79 Ų | 79 | 141.6 Ų | 141.6 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 131 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | K54 | K54-A56 PolarHBondContact O-N 3.16Š|
| 57 | P | 68.9 | Low | 64.3 | Low | 90 Ų | 90 | 141.9 Ų | 141.9 | 58% | 0.584 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 137.7 | 172.7 | -18.3 | 29.5 | 0 | 0 | 0 | 109.2 | N59 | P57-N59 PolarHBondContact O-N 3.33Š|
| 58 | P | 60.3 | Low | 61.9 | Low | 110 Ų | 110 | 145.3 Ų | 145.3 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -63.1 | 127 | 164.5 | 28.3 | -29.1 | 0 | 0 | 0 | 106.3 | ||
| 59 | N | 46.3 | Very low | 59.4 | Low | 154 Ų | 154 | 138.2 Ų | 138.2 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | 85.8 | 83.9 | 178.3 | -37.3 | -46.9 | 0 | 0 | 0 | 114.6 | P57 | P57-N59 PolarHBondContact O-N 3.33Š| ||
| 60 | A | 52.1 | Low | 57.8 | Low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -102.4 | 34.1 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 61 | D | 51.6 | Low | 56.1 | Low | 156 Ų | 156 | 139.9 Ų | 139.9 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -117.8 | 56.9 | 175.6 | -64 | -31.5 | 0 | 0 | 0 | 110.1 | ||||
| 62 | L | 52.1 | Low | 54.4 | Low | 162 Ų | 162 | 137.9 Ų | 137.9 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -169.4 | 102.3 | 157.7 | -131.7 | 73.3 | 0 | 0 | 0 | 111.3 | ||
| 63 | E | 46.5 | Very low | 53 | Low | 144 Ų | 144 | 134.9 Ų | 134.9 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | trans | 40.6 | 120.4 | 134.4 | -59 | -64.5 | 113 | 0 | 0 | 120.5 | ||||
| 64 | Q | 44.7 | Very low | 51.9 | Low | 174 Ų | 174 | 131.8 Ų | 131.8 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 78.3 | 111.6 | 134.1 | -67.2 | 171 | 11.1 | 0 | 0 | 120.5 | ||||
| 65 | G | 36.6 | Very low | 51.3 | Low | 59 Ų | 59 | 128.9 Ų | 128.9 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | 92.5 | 106.8 | 116.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 66 | F | 33.1 | Very low | 50.9 | Low | 198 Ų | 198 | 129.4 Ų | 129.4 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | trans | 86.1 | 126.1 | 141.9 | -61.4 | -78.7 | 0 | 0 | 0 | 121.2 | ||||
| 67 | Q | 44.2 | Very low | 51 | Low | 180 Ų | 180 | 133.3 Ų | 133.3 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | 86.5 | 90.5 | 145.3 | -70.4 | -174.3 | 97.7 | 0 | 0 | 119.9 | ||||
| 68 | E | 37.8 | Very low | 51.4 | Low | 199 Ų | 199 | 137.6 Ų | 137.6 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | 20.6 | 111.2 | 114.7 | -162.7 | 161.3 | -162 | 0 | 0 | 116.8 | |||||
| 69 | G | 34.2 | Very low | 52.3 | Low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 135.9 | 44.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 70 | V | 50.5 | Low | 54 | Low | 136 Ų | 136 | 135.1 Ų | 135.1 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -146 | 127.7 | 162.9 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | N72 | V70-N72 PolarHBondContact O-N 3.04Š| ||
| 71 | P | 51.1 | Low | 55.4 | Low | 108 Ų | 108 | 139.7 Ų | 139.7 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -71 | 131.1 | -173 | 30 | -33.1 | 0 | 0 | 0 | 110.2 | A73 | P71-A73 PolarHBondContact O-N 2.69Š| ||
| 72 | N | 46.3 | Very low | 56.7 | Low | 144 Ų | 144 | 140.8 Ų | 140.8 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | 21.3 | 91.9 | 156.1 | -49.4 | -44 | 0 | 0 | 0 | 114.1 | V70 S74 | V70-N72 PolarHBondContact O-N 3.04Å; N72-S74 PolarHBondContact O-N 2.77Å | ||
| 73 | A | 54.8 | Low | 57.6 | Low | 101 Ų | 101 | 140.5 Ų | 140.5 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | -60.2 | 84.9 | 163 | 0 | 0 | 0 | 0 | 0 | 108.1 | P71 V75 | P71-A73 PolarHBondContact O-N 2.69Å; A73-V75 PolarHBondContact O-N 2.67Å | ||
| 74 | S | 55.7 | Low | 58.8 | Low | 88 Ų | 88 | 139 Ų | 139 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | trans | -57.9 | 112.6 | 167 | 59.2 | 0 | 0 | 0 | 0 | 105.2 | N72 I76 | N72-S74 PolarHBondContact O-N 2.77Å; S74-I76 PolarHBondContact O-N 3.23Å | ||
| 75 | V | 63.4 | Low | 60.2 | Low | 132 Ų | 132 | 136.8 Ų | 136.8 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -63 | 93.6 | 166.1 | 175.7 | 0 | 0 | 0 | 0 | 105.3 | A73 M77 | A73-V75 PolarHBondContact O-N 2.67Å; V75-M77 PolarHBondContact O-N 3.49Å; V75-M77 VanDerWaalsContact O-N 3.1Å | ||
| 76 | I | 68.1 | Low | 61.4 | Low | 140 Ų | 140 | 139 Ų | 139 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -68 | 108.1 | 169.6 | -54.7 | 172.5 | 0 | 0 | 0 | 103.7 | S74 Q78 | S74-I76 PolarHBondContact O-N 3.23Å; I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 PolarHBondContact O-N 3.48Å | ||
| 77 | M | 73.9 | Confident | 62.2 | Low | 162 Ų | 162 | 132 Ų | 132 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | -64.8 | 101.6 | 170.4 | -67.2 | -136.9 | -53.3 | 0 | 0 | 107.4 | V75 V79 | V75-M77 PolarHBondContact O-N 3.49Å; V75-M77 VanDerWaalsContact O-N 3.1Å; M77-V79 PolarHBondContact O-N 3.17Å | ||
| 78 | Q | 76.9 | Confident | 62.5 | Low | 179 Ų | 179 | 131.1 Ų | 131.1 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -81 | 97.5 | 178.6 | -165.5 | 151.4 | 21.2 | 0 | 0 | 108.3 | I76 P80 | I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 PolarHBondContact O-N 3.48Å; Q78-P80 VanDerWaalsContact O-CD 3.31Å; Q78-P80 WeakPolarHBondContact O-CD 3.46Å | ||
| 79 | V | 78.8 | Confident | 63.1 | Low | 122 Ų | 122 | 128 Ų | 128 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | trans | -73.2 | 117.5 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | M77 | M77-V79 PolarHBondContact O-N 3.17Š| ||
| 80 | P | 82.5 | Confident | 64.1 | Low | 91 Ų | 91 | 132.4 Ų | 132.4 | 59% | 0.591 | 75% | 0.751 | S | S | * | * | trans | -63.7 | 140.7 | 176.1 | -19.9 | 32.8 | 0 | 0 | 0 | 110.8 | Q78 R82 | Q78-P80 VanDerWaalsContact O-CD 3.31Å; Q78-P80 WeakPolarHBondContact O-CD 3.46Å; P80-R82 PolarHBondContact O-N 3.39Å; P80-R82 VanDerWaalsContact O-N 3.12Å | ||
| 81 | E | 80 | Confident | 63.9 | Low | 188 Ų | 188 | 133.6 Ų | 133.6 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -64 | -15.7 | 177.4 | -65.7 | -177.8 | 162.9 | 0 | 0 | 113.2 | ||
| 82 | R | 80.8 | Confident | 63.9 | Low | 178 Ų | 178 | 133.1 Ų | 133.1 | 67% | 0.672 | 75% | 0.748 | S | S | * | * | trans | -161.7 | 144.5 | 173.1 | 56.5 | -174.4 | 178.5 | -81.6 | -1.6 | 110.8 | P80 V84 | P80-R82 PolarHBondContact O-N 3.39Å; P80-R82 VanDerWaalsContact O-N 3.12Å; R82-V84 HydrophobicContact CG-CG2 4.2Å | ||
| 83 | I | 70.5 | Confident | 63.8 | Low | 157 Ų | 157 | 132 Ų | 132 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | trans | -91.1 | 106 | 171.6 | -55.5 | 170.4 | 0 | 0 | 0 | 106.6 | ||||
| 84 | V | 71.8 | Confident | 63.6 | Low | 111 Ų | 111 | 135.7 Ų | 135.7 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | trans | -87.5 | 120.7 | 171 | -175.5 | 0 | 0 | 0 | 0 | 107.5 | R82 A86 | R82-V84 HydrophobicContact CG-CG2 4.2Å; V84-A86 PolarHBondContact O-N 2.82Å; V84-A86 VanDerWaalsContact O-N 3.13Å | ||
| 85 | V | 74.2 | Confident | 63.3 | Low | 129 Ų | 129 | 136.8 Ų | 136.8 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | -72.7 | 102.5 | 174.2 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | G87 | V85-G87 PolarHBondContact O-N 3.23Š| ||
| 86 | A | 60.6 | Low | 63 | Low | 105 Ų | 105 | 139.6 Ų | 139.6 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | trans | -78.8 | 102.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | V84 | V84-A86 PolarHBondContact O-N 2.82Å; V84-A86 VanDerWaalsContact O-N 3.13Å | ||
| 87 | G | 50.1 | Low | 62.2 | Low | 52 Ų | 52 | 138.2 Ų | 138.2 | 54% | 0.536 | 75% | 0.753 | S | S | . | * | trans | -157.5 | 107.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V85 | V85-G87 PolarHBondContact O-N 3.23Š| ||
| 88 | N | 51.1 | Low | 61.4 | Low | 160 Ų | 160 | 134 Ų | 134 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | trans | 69.5 | 147.7 | 162.6 | 83.6 | 23 | 0 | 0 | 0 | 119.4 | ||||
| 89 | N | 50.8 | Low | 60.4 | Low | 134 Ų | 134 | 132 Ų | 132 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | trans | -82.4 | 170.6 | -161.8 | -60.1 | -76 | 0 | 0 | 0 | 111.1 | ||||
| 90 | E | 54.3 | Low | 59.5 | Low | 163 Ų | 163 | 132.3 Ų | 132.3 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 65.6 | 102.2 | 172.3 | 62.5 | -114.4 | 123.1 | 0 | 0 | 118.2 | ||
| 91 | D | 45.9 | Very low | 58.2 | Low | 162 Ų | 162 | 132.2 Ų | 132.2 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | trans | 52.9 | 68.9 | 137.8 | -54.8 | -26.7 | 0 | 0 | 0 | 117.7 | ||||
| 92 | V | 51.8 | Low | 57 | Low | 97 Ų | 97 | 130.1 Ų | 130.1 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | trans | -133.4 | 117.8 | 150.4 | -169.1 | 0 | 0 | 0 | 0 | 109.9 | F94 | V92-F94 HydrophobicContact CB-CD2 3.45Å; V92-F94 VanDerWaalsContact CB-CD2 3.45Å; V92-F94 HydrophobicContact CB-CE2 3.28Å; V92-F94 HydrophobicContact CB-CG 4.33Å; V92-F94 HydrophobicContact CB-CZ 4.04Å; V92-F94 HydrophobicContact CG1-CD1 4.08Å; V92-F94 HydrophobicContact CG1-CD2 3.4Å; V92-F94 HydrophobicContact CG1-CE1 3.9Å; V92-F94 HydrophobicContact CG1-CE2 3.2Å; V92-F94 HydrophobicContact CG1-CG 3.85Å; V92-F94 HydrophobicContact CG1-CZ 3.47Å; V92-F94 VanDerWaalsContact CG1-CZ 3.47Å; V92-F94 HydrophobicContact CG2-CD2 4.43Å; V92-F94 HydrophobicContact CG2-CE2 3.8Å; V92-F94 HydrophobicContact CG2-CZ 4.39Å; V92-F94 PolarHBondContact O-N 3.4Å | ||
| 93 | S | 44.5 | Very low | 55.8 | Low | 122 Ų | 122 | 128.1 Ų | 128.1 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | trans | -63.7 | 73.7 | 165.9 | -59.9 | 0 | 0 | 0 | 0 | 109 | S95 | S93-S95 VanDerWaalsContact C-N 3.26Å; S93-S95 PolarHBondContact O-N 2.84Å | ||
| 94 | F | 49.4 | Very low | 55.2 | Low | 177 Ų | 177 | 128.6 Ų | 128.6 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | -78.3 | 87.7 | 171.6 | -78.8 | -67.7 | 0 | 0 | 0 | 108.3 | V92 R96 | V92-F94 HydrophobicContact CB-CD2 3.45Å; V92-F94 VanDerWaalsContact CB-CD2 3.45Å; V92-F94 HydrophobicContact CB-CE2 3.28Å; V92-F94 HydrophobicContact CB-CG 4.33Å; V92-F94 HydrophobicContact CB-CZ 4.04Å; V92-F94 HydrophobicContact CG1-CD1 4.08Å; V92-F94 HydrophobicContact CG1-CD2 3.4Å; V92-F94 HydrophobicContact CG1-CE1 3.9Å; V92-F94 HydrophobicContact CG1-CE2 3.2Å; V92-F94 HydrophobicContact CG1-CG 3.85Å; V92-F94 HydrophobicContact CG1-CZ 3.47Å; V92-F94 VanDerWaalsContact CG1-CZ 3.47Å; V92-F94 HydrophobicContact CG2-CD2 4.43Å; V92-F94 HydrophobicContact CG2-CE2 3.8Å; V92-F94 HydrophobicContact CG2-CZ 4.39Å; V92-F94 PolarHBondContact O-N 3.4Å; F94-R96 PolarHBondContact O-N 3.23Å | ||
| 95 | S | 49.9 | Very low | 54.1 | Low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | -43.6 | 124 | 164.5 | 29.7 | 0 | 0 | 0 | 0 | 111.4 | S93 | S93-S95 VanDerWaalsContact C-N 3.26Å; S93-S95 PolarHBondContact O-N 2.84Å | ||
| 96 | R | 56.3 | Low | 53 | Low | 192 Ų | 192 | 126 Ų | 126 | 73% | 0.725 | 71% | 0.713 | S | S | * | * | trans | -13.5 | 124.6 | 160.5 | -179.4 | 176.5 | -68.3 | -151 | -1.9 | 113.8 | F94 A98 | F94-R96 PolarHBondContact O-N 3.23Å; R96-A98 PolarHBondContact O-N 3.21Å | ||
| 97 | P | 51.3 | Low | 52.7 | Low | 111 Ų | 111 | 127.1 Ų | 127.1 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | trans | -60.3 | 113.4 | 170.3 | 23 | -29 | 0 | 0 | 0 | 108.8 | D99 | P97-D99 PolarHBondContact O-N 3.44Å; P97-D99 VanDerWaalsContact O-N 3.16Å | ||
| 98 | A | 59 | Low | 52.7 | Low | 74 Ų | 74 | 134.4 Ų | 134.4 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 1.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.2 | R96 | R96-A98 PolarHBondContact O-N 3.21Š|
| 99 | D | 55.1 | Low | 52.9 | Low | 137 Ų | 137 | 135.5 Ų | 135.5 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -2.5 | -168.8 | -64.3 | -21.2 | 0 | 0 | 0 | 114.4 | P97 | P97-D99 PolarHBondContact O-N 3.44Å; P97-D99 VanDerWaalsContact O-N 3.16Å |
| 100 | L | 59.5 | Low | 53.3 | Low | 128 Ų | 128 | 134.8 Ų | 134.8 | 67% | 0.67 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -95.4 | -13 | -179.4 | -143.7 | 70.7 | 0 | 0 | 0 | 114.2 | I103 | L100-I103 HydrophobicContact CD1-CD1 4.33Š|
| 101 | D | 56.3 | Low | 53.4 | Low | 89 Ų | 89 | 133.6 Ų | 133.6 | 48% | 0.476 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -85.4 | -13.7 | -178.5 | -63.5 | -15.1 | 0 | 0 | 0 | 112.2 | S105 | D101-S105 PolarHBondContact O-OG 3.28Š|
| 102 | L | 54.1 | Low | 54.2 | Low | 144 Ų | 144 | 130.6 Ų | 130.6 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -83.4 | -21.3 | 178.4 | -153.9 | 69.3 | 0 | 0 | 0 | 113.2 | Q104 | L102-Q104 VanDerWaalsContact C-N 3.32Š|
| 103 | I | 54.9 | Low | 54.6 | Low | 135 Ų | 135 | 133.6 Ų | 133.6 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -83.6 | -15.6 | 179 | -43.6 | 177.2 | 0 | 0 | 0 | 110.9 | L100 | L100-I103 HydrophobicContact CD1-CD1 4.33Š|
| 104 | Q | 58.9 | Low | 55.9 | Low | 167 Ų | 167 | 136.8 Ų | 136.8 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -102 | -6.8 | -176.5 | -142.9 | 173.1 | 24.4 | 0 | 0 | 114 | L102 | L102-Q104 VanDerWaalsContact C-N 3.32Š|
| 105 | S | 47.5 | Very low | 57.3 | Low | 76 Ų | 76 | 133.5 Ų | 133.5 | 53% | 0.531 | 73% | 0.729 | S | S | . | * | trans | -104.8 | 47 | -175.3 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | D101 | D101-S105 PolarHBondContact O-OG 3.28Š| ||
| 106 | T | 52.7 | Low | 58.5 | Low | 110 Ų | 110 | 133.4 Ų | 133.4 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -131.9 | 119 | 160.5 | 52.7 | 0 | 0 | 0 | 0 | 110.3 | F108 | T106-F108 PolarHBondContact O-N 3.43Š|
| 107 | P | 53.5 | Low | 59.4 | Low | 128 Ų | 128 | 129.1 Ų | 129.1 | 83% | 0.831 | 72% | 0.723 | S | S | * | * | trans | -63.3 | 121.3 | 177.4 | -17.1 | 29.2 | 0 | 0 | 0 | 110.6 | K109 | P107-K109 PolarHBondContact O-N 2.89Š| ||
| 108 | F | 50.6 | Low | 60.4 | Low | 206 Ų | 206 | 135.5 Ų | 135.5 | 90% | 0.904 | 73% | 0.732 | S | S | * | * | trans | -22.4 | 110.6 | 171.7 | -59.7 | -90.5 | 0 | 0 | 0 | 115.8 | T106 | T106-F108 PolarHBondContact O-N 3.43Š| ||
| 109 | K | 55.7 | Low | 60.8 | Low | 182 Ų | 182 | 137.2 Ų | 137.2 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -88.9 | 114.5 | 151.6 | -159.5 | 166.4 | -173.6 | 168.8 | 0 | 106.3 | P107 L111 | P107-K109 PolarHBondContact O-N 2.89Å; K109-L111 VanDerWaalsContact C-N 3.27Å; K109-L111 PolarHBondContact O-N 3.45Å | ||
| 110 | P | 58.5 | Low | 61.1 | Low | 120 Ų | 120 | 138.2 Ų | 138.2 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -67.3 | 92.1 | 178.8 | 26.2 | -31.5 | 0 | 0 | 0 | 108.2 | A112 | P110-A112 PolarHBondContact O-N 2.8Š| ||
| 111 | L | 56.7 | Low | 61.1 | Low | 138 Ų | 138 | 137.4 Ų | 137.4 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | trans | -67.6 | 100.4 | 169.8 | -68.4 | 170.7 | 0 | 0 | 0 | 106.1 | K109 L113 | K109-L111 VanDerWaalsContact C-N 3.27Å; K109-L111 PolarHBondContact O-N 3.45Å; L111-L113 PolarHBondContact O-N 2.83Å | ||
| 112 | A | 63 | Low | 61.1 | Low | 98 Ų | 98 | 141.6 Ų | 141.6 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -66.1 | 86.7 | 173 | 0 | 0 | 0 | 0 | 0 | 108.7 | P110 K114 | P110-A112 PolarHBondContact O-N 2.8Å; A112-K114 PolarHBondContact O-N 3.27Å | ||
| 113 | L | 60.3 | Low | 61 | Low | 161 Ų | 161 | 139.3 Ų | 139.3 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -69.1 | 98 | 174.6 | -66.2 | 177 | 0 | 0 | 0 | 108.6 | L111 T115 | L111-L113 PolarHBondContact O-N 2.83Å; L113-T115 PolarHBondContact O-N 2.92Å | ||
| 114 | K | 71.7 | Confident | 61 | Low | 188 Ų | 188 | 142.5 Ų | 142.5 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 123.6 | 170.8 | -179.2 | 68 | 175.7 | -176.9 | 0 | 108.5 | A112 | A112-K114 PolarHBondContact O-N 3.27Š|
| 115 | T | 77.3 | Confident | 61.1 | Low | 109 Ų | 109 | 144.3 Ų | 144.3 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.2 | 177.8 | 29.1 | 0 | 0 | 0 | 0 | 111.5 | L113 | L113-T115 PolarHBondContact O-N 2.92Š|
| 116 | P | 76 | Confident | 61.4 | Low | 108 Ų | 108 | 146 Ų | 146 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 143.1 | 178.1 | -21.2 | 30.9 | 0 | 0 | 0 | 111.5 | R118 | P116-R118 PolarHBondContact O-N 2.99Š|
| 117 | P | 75.3 | Confident | 61.3 | Low | 102 Ų | 102 | 147.1 Ų | 147.1 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 134.7 | -178.9 | 24.3 | -32.2 | 0 | 0 | 0 | 111.3 | V119 | P117-V119 PolarHBondContact O-N 3.44Š|
| 118 | R | 71.4 | Confident | 61.3 | Low | 246 Ų | 246 | 148.1 Ų | 148.1 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -75.2 | 1.5 | -174.1 | -71.2 | -173.4 | 174.1 | 124.9 | -1.7 | 115.2 | P116 | P116-R118 PolarHBondContact O-N 2.99Š|
| 119 | V | 68.4 | Low | 61.3 | Low | 110 Ų | 110 | 145.4 Ų | 145.4 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | trans | -144.3 | 116.2 | 176.1 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | P117 T121 | P117-V119 PolarHBondContact O-N 3.44Å; V119-T121 HydrophobicContact CG1-CG2 3.91Å | ||
| 120 | L | 60.4 | Low | 61.1 | Low | 157 Ų | 157 | 145.2 Ų | 145.2 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -88.6 | 98.1 | 170.1 | -66 | 171.8 | 0 | 0 | 0 | 108.1 | L122 | L120-L122 PolarHBondContact O-N 3.38Š| ||
| 121 | T | 61.3 | Low | 60.6 | Low | 112 Ų | 112 | 147.2 Ų | 147.2 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | trans | -86.2 | 109.8 | 172.5 | 52.5 | 0 | 0 | 0 | 0 | 109.5 | V119 S123 | V119-T121 HydrophobicContact CG1-CG2 3.91Å; T121-S123 PolarHBondContact O-N 3.41Å | ||
| 122 | L | 54.6 | Low | 60.4 | Low | 177 Ų | 177 | 147.7 Ų | 147.7 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | trans | -72.7 | 72.5 | 175.8 | -66 | 170.9 | 0 | 0 | 0 | 110.6 | L120 | L120-L122 PolarHBondContact O-N 3.38Š| ||
| 123 | S | 52.1 | Low | 59.2 | Low | 96 Ų | 96 | 150.7 Ų | 150.7 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | -98.1 | 107.3 | 163.3 | 59.7 | 0 | 0 | 0 | 0 | 108.5 | T121 R125 | T121-S123 PolarHBondContact O-N 3.41Å; S123-R125 PolarHBondContact O-N 3.42Å | ||
| 124 | E | 55.5 | Low | 58.3 | Low | 202 Ų | 202 | 154 Ų | 154 | 94% | 0.944 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -11.1 | 84.4 | 168.8 | -54.9 | -168.8 | 177.7 | 0 | 0 | 115.6 | ||
| 125 | R | 59.9 | Low | 56.7 | Low | 204 Ų | 204 | 149.8 Ų | 149.8 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -142.3 | 112.4 | 160.6 | -156.6 | 178.5 | -172 | 105.6 | -0.3 | 107.8 | S123 L127 | S123-R125 PolarHBondContact O-N 3.42Å; R125-L127 PolarHBondContact O-N 2.96Å | ||
| 126 | P | 54.1 | Low | 55.1 | Low | 111 Ų | 111 | 150.2 Ų | 150.2 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -64 | 117.2 | 173.8 | -13.3 | 27 | 0 | 0 | 0 | 107.9 | D128 | P126-D128 PolarHBondContact O-N 3.41Š| ||
| 127 | L | 51.1 | Low | 53.5 | Low | 134 Ų | 134 | 152.1 Ų | 152.1 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | -87 | 85.7 | 174.2 | -99.4 | 95 | 0 | 0 | 0 | 109.5 | R125 F129 | R125-L127 PolarHBondContact O-N 2.96Å; L127-F129 HydrophobicContact CB-CD2 3.88Å; L127-F129 HydrophobicContact CD2-CB 4.32Å; L127-F129 HydrophobicContact CD2-CD2 3.72Å; L127-F129 HydrophobicContact CD2-CE2 4.42Å; L127-F129 HydrophobicContact CD2-CG 4.34Å; L127-F129 HydrophobicContact CG-CD2 3.55Å; L127-F129 HydrophobicContact CG-CE2 4.06Å; L127-F129 PolarHBondContact O-N 3.4Å | ||
| 128 | D | 54.5 | Low | 52 | Low | 149 Ų | 149 | 153.7 Ų | 153.7 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -69.2 | 61.3 | 159.6 | -70.9 | -29.4 | 0 | 0 | 0 | 110.4 | P126 | P126-D128 PolarHBondContact O-N 3.41Š| ||
| 129 | F | 49.1 | Very low | 50.6 | Low | 150 Ų | 150 | 147.1 Ų | 147.1 | 66% | 0.658 | 78% | 0.781 | S | S | * | * | trans | -130.9 | 40.7 | -175.6 | -70.6 | -84.8 | 0 | 0 | 0 | 113.6 | L127 | L127-F129 HydrophobicContact CB-CD2 3.88Å; L127-F129 HydrophobicContact CD2-CB 4.32Å; L127-F129 HydrophobicContact CD2-CD2 3.72Å; L127-F129 HydrophobicContact CD2-CE2 4.42Å; L127-F129 HydrophobicContact CD2-CG 4.34Å; L127-F129 HydrophobicContact CG-CD2 3.55Å; L127-F129 HydrophobicContact CG-CE2 4.06Å; L127-F129 PolarHBondContact O-N 3.4Å | ||
| 130 | L | 52.6 | Low | 49.5 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | trans | -141 | 28.9 | 167.2 | -70.7 | 177.1 | 0 | 0 | 0 | 112.8 | ||||
| 131 | D | 47.3 | Very low | 48.5 | Very low | 162 Ų | 162 | 148.7 Ų | 148.7 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | -86.9 | 114.9 | 167.5 | -111.7 | -11.1 | 0 | 0 | 0 | 110.3 | ||||
| 132 | L | 52.8 | Low | 47.7 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | 72.7 | 92.1 | 140.4 | -144.5 | 63.2 | 0 | 0 | 0 | 119.6 | R134 | L132-R134 PolarHBondContact O-N 2.76Š| ||
| 133 | E | 38 | Very low | 47 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | 25 | 93.9 | 113.1 | -132.1 | -79.3 | 129.7 | 0 | 0 | 115.7 | |||||
| 134 | R | 40.5 | Very low | 46.7 | Very low | 231 Ų | 231 | 151.9 Ų | 151.9 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -166.4 | 117.2 | 151.5 | -172.4 | 145.8 | -85 | 168.5 | -6.9 | 112.1 | L132 | L132-R134 PolarHBondContact O-N 2.76Š| ||
| 135 | P | 39.2 | Very low | 46.1 | Very low | 98 Ų | 98 | 152.8 Ų | 152.8 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | -108.4 | 175 | 160.1 | 38.3 | -28.3 | 0 | 0 | 0 | 110.7 | ||||
| 136 | P | 42.9 | Very low | 45.6 | Very low | 119 Ų | 119 | 147 Ų | 147 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | -128.3 | 163 | -63.6 | 36.3 | -21.3 | 0 | 0 | 0 | 112.1 | |||||
| 137 | T | 43 | Very low | 45.5 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | trans | -157.4 | 122.3 | 148.5 | 33.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 138 | T | 43 | Very low | 45.3 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -78.7 | -173.6 | 172 | 39.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 139 | P | 43 | Very low | 45 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | -134 | 165.2 | -48.5 | 35.5 | -19.9 | 0 | 0 | 0 | 112 | ||||
| 140 | Q | 45.2 | Very low | 44.9 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | 174 | 140.7 | 141.3 | -104.3 | 174.4 | 9.4 | 0 | 0 | 114.6 | ||||
| 141 | N | 39.8 | Very low | 44.9 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | trans | 70.6 | 113.6 | 156.2 | -87.1 | 22.6 | 0 | 0 | 0 | 120.8 | ||||
| 142 | E | 44.4 | Very low | 45.5 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | 63.1 | 128.9 | 81.4 | -66.7 | 173.1 | -178.1 | 0 | 0 | 110.3 | |||||
| 143 | E | 38.7 | Very low | 45.1 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | cis | -178.4 | 169.2 | 1.7 | -161.7 | -173.3 | 158.8 | 0 | 0 | 103.4 | ||||
| 144 | I | 45.6 | Very low | 45.6 | Very low | 133 Ų | 133 | 154.7 Ų | 154.7 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | 83.6 | 108.5 | 156.8 | -46.6 | 147.2 | 0 | 0 | 0 | 118.7 | ||||
| 145 | R | 44.5 | Very low | 46.3 | Very low | 222 Ų | 222 | 149.9 Ų | 149.9 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | 149.3 | 85.4 | 123.8 | -165 | 170 | -71.5 | 134.1 | -0.7 | 110.4 | |||||
| 146 | A | 48.6 | Very low | 46.8 | Very low | 83 Ų | 83 | 153.9 Ų | 153.9 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | 77.7 | 115.2 | 79.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 147 | V | 51.1 | Low | 47.4 | Very low | 146 Ų | 146 | 154 Ų | 154 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | 77.6 | 104.9 | 134.4 | -176.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 148 | G | 47.6 | Very low | 48.6 | Very low | 73 Ų | 73 | 156.1 Ų | 156.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | 128.5 | 148.9 | 87.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 149 | R | 48 | Very low | 48.8 | Very low | 249 Ų | 249 | 157.3 Ų | 157.3 | 94% | 0.94 | 79% | 0.794 | S | S | * | * | cis | -174.1 | 135.5 | 31.5 | 177.9 | 176.8 | 176.3 | 145.1 | -3.3 | 106.8 | ||||
| 150 | L | 46.8 | Very low | 49.1 | Very low | 167 Ų | 167 | 156.7 Ų | 156.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -83.3 | 141.7 | 174.6 | -70.8 | 147 | 0 | 0 | 0 | 111.9 | ||||
| 151 | K | 52.3 | Low | 49.2 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | 147 | 144.9 | 153.8 | -101.2 | 176.3 | 140.5 | 164.5 | 0 | 108.1 | ||||
| 152 | R | 59.8 | Low | 49.6 | Very low | 177 Ų | 177 | 158.7 Ų | 158.7 | 67% | 0.668 | 80% | 0.803 | S | S | * | * | cis | 171.1 | 136.7 | -4.9 | 165 | -179.7 | -171.8 | 109.6 | 11.9 | 105.2 | ||||
| 153 | E | 45.5 | Very low | 50.4 | Low | 123 Ų | 123 | 161 Ų | 161 | 58% | 0.575 | 81% | 0.814 | S | S | * | * | trans | 61.5 | 116 | 153.6 | -65.9 | 166.7 | 169.9 | 0 | 0 | 122.7 | ||||
| 154 | R | 49 | Very low | 50.6 | Low | 225 Ų | 225 | 160.6 Ų | 160.6 | 85% | 0.849 | 82% | 0.817 | S | S | * | * | trans | 34.5 | 120.4 | 135.9 | -57.3 | -177.1 | -178.2 | 104.3 | -1.2 | 120 | ||||
| 155 | S | 55.1 | Low | 50.7 | Low | 131 Ų | 131 | 157.3 Ų | 157.3 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | -173.2 | 152.7 | 120.6 | -127.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 156 | M | 48.8 | Very low | 50.7 | Low | 181 Ų | 181 | 156 Ų | 156 | 89% | 0.892 | 82% | 0.819 | S | S | * | * | trans | -77.9 | 163.7 | -178.3 | -80.8 | -179.8 | 171.3 | 0 | 0 | 114.3 | ||||
| 157 | S | 55.9 | Low | 50.7 | Low | 123 Ų | 123 | 159.6 Ų | 159.6 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | 95.4 | 120.5 | 151.8 | 76.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 158 | E | 68.7 | Low | 50.6 | Low | 191 Ų | 191 | 158.3 Ų | 158.3 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -130.3 | 119.3 | 164.2 | -173.3 | 171.6 | 143.5 | 0 | 0 | 107.6 | ||||
| 159 | N | 46.7 | Very low | 50.4 | Low | 160 Ų | 160 | 166 Ų | 166 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | -130.1 | 131.3 | 168.7 | -98.3 | -19 | 0 | 0 | 0 | 108 | ||||
| 160 | A | 49.2 | Very low | 50 | Low | 94 Ų | 94 | 160.8 Ų | 160.8 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | 72.8 | 128.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 161 | V | 47.4 | Very low | 49.6 | Very low | 135 Ų | 135 | 159.6 Ų | 159.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | -169.1 | 97.4 | 128.8 | 148.9 | 0 | 0 | 0 | 0 | 107 | |||||
| 162 | R | 49 | Very low | 49.4 | Very low | 208 Ų | 208 | 155.6 Ų | 155.6 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 48.9 | 112.8 | 106 | -56.5 | -167.4 | 94.4 | 111.4 | 4.2 | 115.6 | |||||
| 163 | Q | 60.1 | Low | 48.4 | Very low | 207 Ų | 207 | 153.7 Ų | 153.7 | 97% | 0.967 | 81% | 0.809 | S | S | * | * | trans | -135.8 | 136.2 | 133.8 | -70.9 | -163.7 | 18 | 0 | 0 | 109.9 | ||||
| 164 | N | 43.1 | Very low | 48.3 | Very low | 152 Ų | 152 | 160.3 Ų | 160.3 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | trans | -119.3 | 133.1 | -168.3 | 173 | -17.4 | 0 | 0 | 0 | 106.3 | ||||
| 165 | G | 48.4 | Very low | 48 | Very low | 64 Ų | 64 | 157.2 Ų | 157.2 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | trans | 149.8 | 123.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 166 | Q | 44.6 | Very low | 47.3 | Very low | 193 Ų | 193 | 161.5 Ų | 161.5 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | 86.5 | 85.4 | 157.4 | -140.9 | 162.4 | 5.5 | 0 | 0 | 116.2 | ||||
| 167 | L | 48.1 | Very low | 47.1 | Very low | 159 Ų | 159 | 157.9 Ų | 157.9 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | 69 | 125.7 | 73.3 | -138.9 | 169.3 | 0 | 0 | 0 | 112.5 | |||||
| 168 | V | 47.9 | Very low | 46.3 | Very low | 119 Ų | 119 | 159.1 Ų | 159.1 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | trans | 119.2 | 91.3 | 157.2 | -176.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 169 | R | 44 | Very low | 45.4 | Very low | 236 Ų | 236 | 156 Ų | 156 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | 92.8 | 127.2 | 119.5 | -150.5 | -179.9 | -157.9 | 170.8 | 4.5 | 120 | |||||
| 170 | N | 39.4 | Very low | 45.5 | Very low | 139 Ų | 139 | 152.6 Ų | 152.6 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -61.4 | 165.8 | 177.7 | -83.1 | -65 | 0 | 0 | 0 | 116.1 | ||||
| 171 | D | 37.9 | Very low | 45.6 | Very low | 142 Ų | 142 | 154.3 Ų | 154.3 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | 99.6 | 117.6 | 146.1 | -59.8 | -38.7 | 0 | 0 | 0 | 119.2 | ||||
| 172 | S | 47.9 | Very low | 45.5 | Very low | 108 Ų | 108 | 159.7 Ų | 159.7 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | 104 | 130.6 | 132 | 77 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 173 | L | 40.4 | Very low | 45.8 | Very low | 138 Ų | 138 | 156.4 Ų | 156.4 | 72% | 0.723 | 81% | 0.809 | S | S | * | * | trans | 79.1 | 83.3 | 136.3 | -146.7 | 85.4 | 0 | 0 | 0 | 118.4 | ||||
| 174 | W | 43.3 | Very low | 45.5 | Very low | 261 Ų | 261 | 155.1 Ų | 155.1 | 99% | 0.989 | 80% | 0.801 | S | S | * | * | trans | -101.4 | 84.6 | 151.5 | -73.4 | 105.7 | 0 | 0 | 0 | 110 | ||||
| 175 | H | 42 | Very low | 45.9 | Very low | 160 Ų | 160 | 155.8 Ų | 155.8 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -108.9 | 128.4 | 152.2 | -96.8 | -59.8 | 0 | 0 | 0 | 108.6 | ||||
| 176 | R | 40.7 | Very low | 45.9 | Very low | 222 Ų | 222 | 157.5 Ų | 157.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | 80.1 | 119.4 | 139.2 | -158.6 | 178.6 | -132.2 | 151.7 | 3.8 | 119 | ||||
| 177 | S | 43.8 | Very low | 46.2 | Very low | 104 Ų | 104 | 157.9 Ų | 157.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | 166.6 | 111.2 | 110.9 | -66.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 178 | D | 40.8 | Very low | 46.3 | Very low | 150 Ų | 150 | 157.5 Ų | 157.5 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | 82.1 | 116.5 | 84.4 | -119.6 | -24.4 | 0 | 0 | 0 | 114.3 | |||||
| 179 | S | 48.7 | Very low | 46.4 | Very low | 125 Ų | 125 | 160.3 Ų | 160.3 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -156.6 | 100 | 159.7 | 55.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 180 | A | 48 | Very low | 46.6 | Very low | 89 Ų | 89 | 153.2 Ų | 153.2 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -89.4 | 166.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 181 | P | 51.3 | Low | 46.7 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -110.4 | 140.7 | 152.8 | 33.1 | -21.2 | 0 | 0 | 0 | 113.1 | ||||
| 182 | R | 45.7 | Very low | 47.1 | Very low | 248 Ų | 248 | 152.2 Ų | 152.2 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | trans | -63.6 | 141.7 | 178.6 | -74.3 | 172.4 | 166.5 | -170.6 | -4.1 | 113.9 | ||||
| 183 | N | 55.7 | Low | 47 | Very low | 139 Ų | 139 | 153.2 Ų | 153.2 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | -165.1 | 119.3 | 120.5 | -147.2 | -26.1 | 0 | 0 | 0 | 113.9 | |||||
| 184 | K | 54.4 | Low | 47.4 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 24.3 | 112.6 | 152 | -61.7 | 175.8 | -174.7 | -175.2 | 0 | 119.9 | ||||
| 185 | I | 51.8 | Low | 47.6 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | 82.2 | 108.6 | 82.5 | -77.8 | 159.4 | 0 | 0 | 0 | 114.9 | |||||
| 186 | S | 48 | Very low | 47.6 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | 151.9 | 97.7 | 121.8 | -167.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 187 | R | 50.8 | Low | 47.7 | Very low | 202 Ų | 202 | 143.2 Ų | 143.2 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | 51.3 | 114.3 | 92 | -147.4 | -170.7 | -79.3 | 166.4 | -4.1 | 110.4 | |||||
| 188 | F | 49.9 | Very low | 47.7 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | -164.9 | 145.2 | 67.8 | -89.1 | -90 | 0 | 0 | 0 | 112.8 | |||||
| 189 | Q | 49.4 | Very low | 48 | Very low | 178 Ų | 178 | 142 Ų | 142 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 47.7 | 143.2 | 137.9 | -76.3 | 175.8 | 2.4 | 0 | 0 | 120.1 | ||||
| 190 | A | 49.1 | Very low | 47.7 | Very low | 87 Ų | 87 | 142 Ų | 142 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | cis | -172.3 | 172.9 | 11.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 191 | P | 41.9 | Very low | 47.6 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | -126.1 | 175.6 | -143.8 | 45.6 | -31.9 | 0 | 0 | 0 | 115.8 | ||||
| 192 | I | 45.9 | Very low | 47 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | 51.1 | 124.4 | 153.8 | 32.2 | 174.3 | 0 | 0 | 0 | 120.8 | ||||
| 193 | S | 45.2 | Very low | 47 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | -166.3 | 150.4 | 119.9 | -82.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 194 | A | 49 | Very low | 46.1 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -84.2 | 175.8 | -156.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 195 | P | 47.8 | Very low | 45.5 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -102.6 | 154.1 | -168.2 | 38.1 | -28.8 | 0 | 0 | 0 | 113.3 | ||||
| 196 | E | 42.5 | Very low | 44.7 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -146.3 | 121.1 | 171.1 | -98.6 | -164.7 | 127.4 | 0 | 0 | 114.6 | ||||
| 197 | Y | 43.1 | Very low | 44.3 | Very low | 185 Ų | 185 | 141 Ų | 141 | 73% | 0.725 | 77% | 0.772 | S | S | * | * | trans | 22.4 | 141.1 | 152.7 | 71 | -85.5 | 0 | 0 | 0 | 123.9 | ||||
| 198 | T | 43.8 | Very low | 43.5 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | 153.2 | 97.4 | 128.7 | -55.6 | 0 | 0 | 0 | 0 | 109 | |||||
| 199 | V | 46.8 | Very low | 42.9 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | 56.7 | 112.3 | 91.7 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 200 | T | 40.8 | Very low | 42.7 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | 174 | 159.9 | 72.2 | -22.5 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 201 | P | 47.1 | Very low | 42.7 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -108.5 | -173.8 | -162.6 | 39.2 | -27.3 | 0 | 0 | 0 | 115.6 | ||||
| 202 | S | 39 | Very low | 42.7 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 115 | 152.3 | 159.2 | -124.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 203 | P | 44.9 | Very low | 42.2 | Very low | 101 Ų | 101 | 138 Ų | 138 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | -136.5 | -175.8 | -109.9 | 35.1 | -9.9 | 0 | 0 | 0 | 115 | |||||
| 204 | Q | 37.5 | Very low | 42 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 68.9 | 110.6 | 162.4 | -55.1 | -179.2 | -5.8 | 0 | 0 | 117.9 | ||||
| 205 | Q | 41.5 | Very low | 41.8 | Very low | 199 Ų | 199 | 139 Ų | 139 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | -169.9 | 141.7 | 117.5 | -100.2 | 166.2 | 54 | 0 | 0 | 111.9 | |||||
| 206 | A | 34.4 | Very low | 41.7 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -53.9 | 138.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 207 | R | 40.2 | Very low | 42 | Very low | 229 Ų | 229 | 141.4 Ų | 141.4 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -172.6 | 105.9 | 139.5 | -102.2 | 161.3 | -167.1 | 151.5 | 3.3 | 110.2 | C209 | R207-C209 PolarHBondContact O-N 3.11Š| ||
| 208 | V | 34.4 | Very low | 42.3 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | 17.7 | 101.5 | 142.1 | -170.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 209 | C | 37 | Very low | 42.9 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | -117.8 | 138.2 | 167.8 | -76.6 | 0 | 0 | 0 | 0 | 109.8 | R207 | R207-C209 PolarHBondContact O-N 3.11Š| ||
| 210 | P | 45.1 | Very low | 43.3 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -69.4 | 158.5 | 170.3 | 32 | -31.5 | 0 | 0 | 0 | 109.6 | H212 | P210-H212 PolarHBondContact O-N 2.94Å; P210-H212 VanDerWaalsContact O-N 3.1Å | ||
| 211 | P | 50 | Low | 44.4 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | trans | -63.5 | 120.1 | -172.5 | 26.3 | -32 | 0 | 0 | 0 | 110.1 | M213 | P211-M213 PolarHBondContact O-N 3.29Å; P211-M213 VanDerWaalsContact O-N 3.1Å | ||
| 212 | H | 41 | Very low | 45.2 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -56.4 | 109.6 | 177.6 | -149.3 | -78.1 | 0 | 0 | 0 | 109.3 | P210 L214 | P210-H212 PolarHBondContact O-N 2.94Å; P210-H212 VanDerWaalsContact O-N 3.1Å; H212-L214 PolarHBondContact O-N 3.24Å | ||
| 213 | M | 35.5 | Very low | 47 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | -69.2 | 103.8 | 168.7 | -68.4 | -74.6 | 131.7 | 0 | 0 | 107.4 | P211 | P211-M213 PolarHBondContact O-N 3.29Å; P211-M213 VanDerWaalsContact O-N 3.1Å | ||
| 214 | L | 39.7 | Very low | 48.7 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | -101.9 | 115.1 | 166.3 | -102.1 | 167.3 | 0 | 0 | 0 | 108.2 | H212 | H212-L214 PolarHBondContact O-N 3.24Š| ||
| 215 | P | 45.1 | Very low | 51 | Low | 102 Ų | 102 | 130.4 Ų | 130.4 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | trans | -76.7 | 166.6 | 165.8 | 36 | -30.2 | 0 | 0 | 0 | 108.1 | ||||
| 216 | E | 46.8 | Very low | 52.9 | Low | 192 Ų | 192 | 122 Ų | 122 | 90% | 0.897 | 70% | 0.702 | S | S | * | * | trans | 79.7 | 81.4 | 177.6 | -52.7 | -144.6 | 110.2 | 0 | 0 | 116 | ||||
| 217 | D | 49.1 | Very low | 55.4 | Low | 147 Ų | 147 | 121.4 Ų | 121.4 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | trans | -141.1 | 97.7 | 131.9 | -138.6 | -17.2 | 0 | 0 | 0 | 107.4 | N220 | D217-N220 PolarHBondContact OD1-ND2 3.45Š| ||
| 218 | G | 48.7 | Very low | 57.6 | Low | 55 Ų | 55 | 115.9 Ų | 115.9 | 57% | 0.567 | 67% | 0.672 | S | S | * | * | trans | -53.3 | 151 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | N220 | G218-N220 PolarHBondContact O-N 3.03Å; G218-N220 PolarHBondContact O-ND2 3.39Å | ||
| 219 | A | 56.6 | Low | 60.2 | Low | 97 Ų | 97 | 112.1 Ų | 112.1 | 80% | 0.802 | 65% | 0.653 | S | S | * | * | trans | -58.8 | 74.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L221 | A219-L221 PolarHBondContact O-N 3.29Š| ||
| 220 | N | 54.4 | Low | 62.8 | Low | 89 Ų | 89 | 111.1 Ų | 111.1 | 48% | 0.476 | 64% | 0.639 | S | S | . | * | trans | -75 | 91.3 | 174.1 | -71.2 | -48.6 | 0 | 0 | 0 | 107.9 | D217 G218 S222 S223 | D217-N220 PolarHBondContact OD1-ND2 3.45Å; G218-N220 PolarHBondContact O-N 3.03Å; G218-N220 PolarHBondContact O-ND2 3.39Å; N220-S222 PolarHBondContact O-N 2.84Å; N220-S223 PolarHBondContact O-N 3.33Å; N220-S223 VanDerWaalsContact O-N 3.14Å | ||
| 221 | L | 64 | Low | 64.9 | Low | 114 Ų | 114 | 110 Ų | 110 | 60% | 0.597 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -9.3 | 175.6 | -69.4 | 166.1 | 0 | 0 | 0 | 113.6 | A219 I227 L230 | A219-L221 PolarHBondContact O-N 3.29Å; L221-I227 VanDerWaalsContact O-CG1 3.24Å; L221-I227 WeakPolarHBondContact O-CG1 3.5Å; L221-L230 HydrophobicContact CD2-CD2 3.82Å |
| 222 | S | 65 | Low | 66.9 | Low | 110 Ų | 110 | 111.8 Ų | 111.8 | 77% | 0.769 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -11.5 | 179.2 | 41.1 | 0 | 0 | 0 | 0 | 114.6 | N220 | N220-S222 PolarHBondContact O-N 2.84Š|
| 223 | S | 77 | Confident | 69.2 | Low | 62 Ų | 62 | 106.7 Ų | 106.7 | 43% | 0.434 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -92.7 | 137 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 111 | N220 R225 G226 I227 | N220-S223 PolarHBondContact O-N 3.33Å; N220-S223 VanDerWaalsContact O-N 3.14Å; S223-R225 PolarHBondContact O-N 3.39Å; S223-R225 VanDerWaalsContact O-N 3.09Å; S223-G226 WeakPolarHBondContact O-CA 3.28Å; S223-G226 PolarHBondContact O-N 2.91Å; S223-I227 PolarHBondContact O-N 3.35Å |
| 224 | A | 80.1 | Confident | 71.8 | Confident | 76 Ų | 76 | 102.6 Ų | 102.6 | 63% | 0.628 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -52.6 | -34.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L228 | A224-L228 WeakPolarHBondContact O-CB 3.1Å; A224-L228 VanDerWaalsContact O-CG 3.31Å; A224-L228 WeakPolarHBondContact O-CG 3.42Å; A224-L228 PolarHBondContact O-N 3.38Å |
| 225 | R | 85 | Confident | 74.2 | Confident | 213 Ų | 213 | 98.5 Ų | 98.5 | 80% | 0.804 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.3 | -34.7 | 175.6 | -164.7 | 174.9 | -177.6 | 112.9 | -1.6 | 112.7 | S223 S229 | S223-R225 PolarHBondContact O-N 3.39Å; S223-R225 VanDerWaalsContact O-N 3.09Å; R225-S229 VanDerWaalsContact O-CB 3.27Å; R225-S229 WeakPolarHBondContact O-CB 3.31Å; R225-S229 PolarHBondContact O-N 3.16Å |
| 226 | G | 82.6 | Confident | 76.5 | Confident | 23 Ų | 23 | 101.9 Ų | 101.9 | 24% | 0.237 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -67.4 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | S223 S229 L230 | S223-G226 WeakPolarHBondContact O-CA 3.28Å; S223-G226 PolarHBondContact O-N 2.91Å; G226-S229 PolarHBondContact O-N 3.49Å; G226-L230 WeakPolarHBondContact O-CB 3.4Å; G226-L230 PolarHBondContact O-N 3.45Å |
| 227 | I | 86.5 | Confident | 78.5 | Confident | 79 Ų | 79 | 101.1 Ų | 101.1 | 41% | 0.405 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.3 | -45.6 | 175.3 | -59.6 | 171.4 | 0 | 0 | 0 | 110.4 | L221 S223 S229 L230 I231 | L221-I227 VanDerWaalsContact O-CG1 3.24Å; L221-I227 WeakPolarHBondContact O-CG1 3.5Å; S223-I227 PolarHBondContact O-N 3.35Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 2.81Å; I227-L230 WeakPolarHBondContact O-CB 3.29Å; I227-L230 PolarHBondContact O-N 2.85Å; I227-I231 HydrophobicContact CG2-CD1 3.78Å; I227-I231 HydrophobicContact CG2-CG1 4.38Å; I227-I231 VanDerWaalsContact O-CG1 3.31Å; I227-I231 WeakPolarHBondContact O-CG1 3.33Å; I227-I231 PolarHBondContact O-N 2.88Å |
| 228 | L | 87.1 | Confident | 80.5 | Confident | 114 Ų | 114 | 96 Ų | 96 | 60% | 0.597 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62 | -40.8 | 175.9 | -74.9 | 172 | 0 | 0 | 0 | 112 | A224 I231 Q232 | A224-L228 WeakPolarHBondContact O-CB 3.1Å; A224-L228 VanDerWaalsContact O-CG 3.31Å; A224-L228 WeakPolarHBondContact O-CG 3.42Å; A224-L228 PolarHBondContact O-N 3.38Å; L228-I231 PolarHBondContact O-N 2.92Å; L228-Q232 WeakPolarHBondContact O-CB 3.15Å; L228-Q232 PolarHBondContact O-N 3.15Å |
| 229 | S | 87.8 | Confident | 82.7 | Confident | 71 Ų | 71 | 100.5 Ų | 100.5 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 174 | -177.5 | 0 | 0 | 0 | 0 | 112 | R225 G226 I227 S233 | R225-S229 VanDerWaalsContact O-CB 3.27Å; R225-S229 WeakPolarHBondContact O-CB 3.31Å; R225-S229 PolarHBondContact O-N 3.16Å; G226-S229 PolarHBondContact O-N 3.49Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 2.81Å; S229-S233 WeakPolarHBondContact O-CB 3.33Å; S229-S233 PolarHBondContact O-N 3.36Å; S229-S233 PolarHBondContact O-OG 3.47Å |
| 230 | L | 91.3 | Very high | 84.3 | Confident | 94 Ų | 94 | 100.1 Ų | 100.1 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 175.2 | -173.3 | 75.4 | 0 | 0 | 0 | 111.5 | L221 G226 I227 S233 S234 | L221-L230 HydrophobicContact CD2-CD2 3.82Å; G226-L230 WeakPolarHBondContact O-CB 3.4Å; G226-L230 PolarHBondContact O-N 3.45Å; I227-L230 WeakPolarHBondContact O-CB 3.29Å; I227-L230 PolarHBondContact O-N 2.85Å; L230-S233 WeakPolarHBondContact CA-OG 3.42Å; L230-S233 PolarHBondContact O-N 3.28Å; L230-S233 PolarHBondContact O-OG 2.87Å; L230-S234 WeakPolarHBondContact O-CB 3.27Å; L230-S234 PolarHBondContact O-N 3.25Å |
| 231 | I | 90.6 | Very high | 86 | Confident | 89 Ų | 89 | 101.7 Ų | 101.7 | 46% | 0.456 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 178.3 | -67.3 | 166.8 | 0 | 0 | 0 | 110.1 | I227 L228 S234 T235 | I227-I231 HydrophobicContact CG2-CD1 3.78Å; I227-I231 HydrophobicContact CG2-CG1 4.38Å; I227-I231 VanDerWaalsContact O-CG1 3.31Å; I227-I231 WeakPolarHBondContact O-CG1 3.33Å; I227-I231 PolarHBondContact O-N 2.88Å; L228-I231 PolarHBondContact O-N 2.92Å; I231-S234 PolarHBondContact O-N 3.01Å; I231-T235 WeakPolarHBondContact O-CB 3.01Å; I231-T235 PolarHBondContact O-N 2.93Å; I231-T235 PolarHBondContact O-OG1 3.06Å |
| 232 | Q | 92.1 | Very high | 87.3 | Confident | 146 Ų | 146 | 100.8 Ų | 100.8 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | 180 | -171.3 | -178.7 | 2.7 | 0 | 0 | 111.6 | L228 R236 | L228-Q232 WeakPolarHBondContact O-CB 3.15Å; L228-Q232 PolarHBondContact O-N 3.15Å; Q232-R236 WeakPolarHBondContact O-CB 3.35Å; Q232-R236 PolarHBondContact O-N 3.39Å |
| 233 | S | 87.8 | Confident | 88.5 | Confident | 61 Ų | 61 | 100.7 Ų | 100.7 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 177.9 | 59 | 0 | 0 | 0 | 0 | 112.4 | S229 L230 R236 R237 | S229-S233 WeakPolarHBondContact O-CB 3.33Å; S229-S233 PolarHBondContact O-N 3.36Å; S229-S233 PolarHBondContact O-OG 3.47Å; L230-S233 WeakPolarHBondContact CA-OG 3.42Å; L230-S233 PolarHBondContact O-N 3.28Å; L230-S233 PolarHBondContact O-OG 2.87Å; S233-R236 PolarHBondContact O-N 3.45Å; S233-R237 WeakPolarHBondContact O-CB 3.28Å; S233-R237 PolarHBondContact O-N 3.23Å |
| 234 | S | 89.7 | Confident | 88.9 | Confident | 75 Ų | 75 | 102.8 Ų | 102.8 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 174 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | L230 I231 R237 A238 | L230-S234 WeakPolarHBondContact O-CB 3.27Å; L230-S234 PolarHBondContact O-N 3.25Å; I231-S234 PolarHBondContact O-N 3.01Å; S234-R237 PolarHBondContact O-N 3.36Å; S234-A238 WeakPolarHBondContact O-CB 3.39Å; S234-A238 PolarHBondContact O-N 2.84Å |
| 235 | T | 91.7 | Very high | 89.2 | Confident | 60 Ų | 60 | 103.5 Ų | 103.5 | 37% | 0.368 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 179.2 | -55.9 | 0 | 0 | 0 | 0 | 111 | I231 R237 A238 Y239 | I231-T235 WeakPolarHBondContact O-CB 3.01Å; I231-T235 PolarHBondContact O-N 2.93Å; I231-T235 PolarHBondContact O-OG1 3.06Å; T235-R237 PolarHBondContact O-N 3.03Å; T235-A238 PolarHBondContact O-N 3.26Å; T235-Y239 HydrophobicContact CG2-CD2 3.64Å; T235-Y239 HydrophobicContact CG2-CE2 3.4Å; T235-Y239 VanDerWaalsContact CG2-CE2 3.4Å; T235-Y239 WeakPolarHBondContact O-CD2 3.29Å; T235-Y239 PolarHBondContact O-N 2.97Å |
| 236 | R | 92.9 | Very high | 89 | Confident | 173 Ų | 173 | 97.5 Ų | 97.5 | 65% | 0.653 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59 | -45.1 | 175.4 | -178.5 | 178.9 | 177.5 | 176.5 | 1.5 | 112 | Q232 S233 Q240 | Q232-R236 WeakPolarHBondContact O-CB 3.35Å; Q232-R236 PolarHBondContact O-N 3.39Å; S233-R236 PolarHBondContact O-N 3.45Å; R236-Q240 VanDerWaalsContact O-CG 3.29Å; R236-Q240 WeakPolarHBondContact O-CG 3.19Å; R236-Q240 PolarHBondContact O-N 2.87Å |
| 237 | R | 89.2 | Confident | 88.8 | Confident | 175 Ų | 175 | 100.9 Ų | 100.9 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | 178.3 | -173.9 | -177.9 | -80 | 173.8 | -5.1 | 111.6 | S233 S234 T235 Q240 Q241 | S233-R237 WeakPolarHBondContact O-CB 3.28Å; S233-R237 PolarHBondContact O-N 3.23Å; S234-R237 PolarHBondContact O-N 3.36Å; T235-R237 PolarHBondContact O-N 3.03Å; R237-Q240 PolarHBondContact O-N 3.39Å; R237-Q241 WeakPolarHBondContact O-CG 3.44Å; R237-Q241 PolarHBondContact O-N 3.46Å |
| 238 | A | 91.1 | Very high | 88.1 | Confident | 41 Ų | 41 | 104.5 Ų | 104.5 | 34% | 0.339 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S234 T235 Q240 Q241 I242 | S234-A238 WeakPolarHBondContact O-CB 3.39Å; S234-A238 PolarHBondContact O-N 2.84Å; T235-A238 PolarHBondContact O-N 3.26Å; A238-Q240 PolarHBondContact O-N 3.42Å; A238-Q241 PolarHBondContact O-N 2.93Å; A238-I242 WeakPolarHBondContact O-CG1 3.27Å; A238-I242 PolarHBondContact O-N 2.94Å; A238-I242 VanDerWaalsContact O-N 3.09Å |
| 239 | Y | 94.4 | Very high | 86.8 | Confident | 148 Ų | 148 | 105.4 Ų | 105.4 | 58% | 0.58 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.8 | -40.9 | 174.7 | -83.3 | -64.1 | 0 | 0 | 0 | 112.5 | T235 Q241 I242 L243 | T235-Y239 HydrophobicContact CG2-CD2 3.64Å; T235-Y239 HydrophobicContact CG2-CE2 3.4Å; T235-Y239 VanDerWaalsContact CG2-CE2 3.4Å; T235-Y239 WeakPolarHBondContact O-CD2 3.29Å; T235-Y239 PolarHBondContact O-N 2.97Å; Y239-Q241 VanDerWaalsContact C-N 3.34Å; Y239-Q241 PolarHBondContact O-N 3.47Å; Y239-I242 PolarHBondContact O-N 3.3Å; Y239-L243 WeakPolarHBondContact O-CB 3.18Å; Y239-L243 VanDerWaalsContact O-CG 3.32Å; Y239-L243 WeakPolarHBondContact O-CG 3.4Å; Y239-L243 PolarHBondContact O-N 3.19Å |
| 240 | Q | 90.6 | Very high | 85.4 | Confident | 90 Ų | 90 | 112.1 Ų | 112.1 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 175.1 | -75.7 | 170.5 | -18 | 0 | 0 | 111.3 | R236 R237 A238 I242 L243 D244 | R236-Q240 VanDerWaalsContact O-CG 3.29Å; R236-Q240 WeakPolarHBondContact O-CG 3.19Å; R236-Q240 PolarHBondContact O-N 2.87Å; R237-Q240 PolarHBondContact O-N 3.39Å; A238-Q240 PolarHBondContact O-N 3.42Å; Q240-I242 VanDerWaalsContact C-N 3.33Å; Q240-I242 PolarHBondContact O-N 3.3Å; Q240-L243 PolarHBondContact O-N 2.67Å; Q240-D244 WeakPolarHBondContact O-CB 3.43Å; Q240-D244 PolarHBondContact O-N 2.86Å |
| 241 | Q | 89.3 | Confident | 83.6 | Confident | 121 Ų | 121 | 117 Ų | 117 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.5 | -42.2 | 176.5 | -72.6 | 176.3 | -24.5 | 0 | 0 | 112.7 | R237 A238 Y239 V245 | R237-Q241 WeakPolarHBondContact O-CG 3.44Å; R237-Q241 PolarHBondContact O-N 3.46Å; A238-Q241 PolarHBondContact O-N 2.93Å; Y239-Q241 VanDerWaalsContact C-N 3.34Å; Y239-Q241 PolarHBondContact O-N 3.47Å; Q241-V245 WeakPolarHBondContact O-CB 3.38Å; Q241-V245 WeakPolarHBondContact O-CG2 3.31Å; Q241-V245 PolarHBondContact O-N 3.09Å |
| 242 | I | 92.6 | Very high | 81.5 | Confident | 95 Ų | 95 | 118.7 Ų | 118.7 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67 | -41.9 | 178.1 | -65 | 165 | 0 | 0 | 0 | 110.4 | A238 Y239 Q240 V245 L246 | A238-I242 WeakPolarHBondContact O-CG1 3.27Å; A238-I242 PolarHBondContact O-N 2.94Å; A238-I242 VanDerWaalsContact O-N 3.09Å; Y239-I242 PolarHBondContact O-N 3.3Å; Q240-I242 VanDerWaalsContact C-N 3.33Å; Q240-I242 PolarHBondContact O-N 3.3Å; I242-V245 PolarHBondContact O-N 2.96Å; I242-L246 HydrophobicContact CG2-CD1 3.74Å; I242-L246 HydrophobicContact CG2-CG 4.24Å; I242-L246 VanDerWaalsContact O-CB 3.32Å; I242-L246 WeakPolarHBondContact O-CB 3.32Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 3.49Å |
| 243 | L | 88.5 | Confident | 79.6 | Confident | 109 Ų | 109 | 117.9 Ų | 117.9 | 57% | 0.571 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.5 | -41.5 | 177.9 | -72.5 | 171.9 | 0 | 0 | 0 | 112 | Y239 Q240 L246 D247 | Y239-L243 WeakPolarHBondContact O-CB 3.18Å; Y239-L243 VanDerWaalsContact O-CG 3.32Å; Y239-L243 WeakPolarHBondContact O-CG 3.4Å; Y239-L243 PolarHBondContact O-N 3.19Å; Q240-L243 PolarHBondContact O-N 2.67Å; L243-L246 PolarHBondContact O-N 2.9Å; L243-D247 WeakPolarHBondContact O-CB 3.23Å; L243-D247 PolarHBondContact O-N 3.48Å |
| 244 | D | 86.2 | Confident | 77.6 | Confident | 106 Ų | 106 | 123.6 Ų | 123.6 | 57% | 0.567 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.3 | -43.2 | 176.3 | -66.8 | -16.8 | 0 | 0 | 0 | 110.7 | Q240 L246 D247 E248 | Q240-D244 WeakPolarHBondContact O-CB 3.43Å; Q240-D244 PolarHBondContact O-N 2.86Å; D244-L246 VanDerWaalsContact C-N 3.34Å; D244-L246 PolarHBondContact O-N 2.95Å; D244-D247 PolarHBondContact O-N 3.28Å; D244-E248 PolarHBondContact O-N 3.19Å |
| 245 | V | 85.4 | Confident | 75.6 | Confident | 90 Ų | 90 | 131.7 Ų | 131.7 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.8 | -36.3 | 175.6 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | Q241 I242 N249 | Q241-V245 WeakPolarHBondContact O-CB 3.38Å; Q241-V245 WeakPolarHBondContact O-CG2 3.31Å; Q241-V245 PolarHBondContact O-N 3.09Å; I242-V245 PolarHBondContact O-N 2.96Å; V245-N249 PolarHBondContact O-N 3.36Å; V245-N249 PolarHBondContact O-ND2 2.95Å |
| 246 | L | 82.7 | Confident | 73 | Confident | 87 Ų | 87 | 132.8 Ų | 132.8 | 46% | 0.455 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -74.7 | -32.9 | 177.3 | -73.5 | 173.1 | 0 | 0 | 0 | 112.8 | I242 L243 D244 N249 R250 | I242-L246 HydrophobicContact CG2-CD1 3.74Å; I242-L246 HydrophobicContact CG2-CG 4.24Å; I242-L246 VanDerWaalsContact O-CB 3.32Å; I242-L246 WeakPolarHBondContact O-CB 3.32Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 3.49Å; L243-L246 PolarHBondContact O-N 2.9Å; D244-L246 VanDerWaalsContact C-N 3.34Å; D244-L246 PolarHBondContact O-N 2.95Å; L246-N249 PolarHBondContact O-N 3.31Å; L246-R250 PolarHBondContact O-N 3.49Å |
| 247 | D | 78.2 | Confident | 70.6 | Confident | 94 Ų | 94 | 128 Ų | 128 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.6 | -41.2 | 176.9 | -166.1 | 52.9 | 0 | 0 | 0 | 111 | L243 D244 N249 R250 R251 | L243-D247 WeakPolarHBondContact O-CB 3.23Å; L243-D247 PolarHBondContact O-N 3.48Å; D244-D247 PolarHBondContact O-N 3.28Å; D247-N249 PolarHBondContact O-N 3.42Å; D247-R250 PolarHBondContact O-N 3.34Å; D247-R251 PolarHBondContact O-N 3.02Å |
| 248 | E | 71.5 | Confident | 68.2 | Low | 155 Ų | 155 | 125.4 Ų | 125.4 | 72% | 0.724 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -58.5 | -32.3 | 170.8 | -80.7 | -63 | 124.8 | 0 | 0 | 112.5 | D244 R250 | D244-E248 PolarHBondContact O-N 3.19Å; E248-R250 VanDerWaalsContact C-N 3.34Å |
| 249 | N | 59.6 | Low | 65.6 | Low | 134 Ų | 134 | 128 Ų | 128 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -8.8 | 175.3 | -82.3 | -83.4 | 0 | 0 | 0 | 113.9 | V245 L246 D247 | V245-N249 PolarHBondContact O-N 3.36Å; V245-N249 PolarHBondContact O-ND2 2.95Å; L246-N249 PolarHBondContact O-N 3.31Å; D247-N249 PolarHBondContact O-N 3.42Å |
| 250 | R | 59.3 | Low | 63.1 | Low | 211 Ų | 211 | 125.8 Ų | 125.8 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 4.1 | -173.8 | -85.8 | -172.6 | 177.1 | 163.9 | 1.4 | 115.7 | L246 D247 E248 | L246-R250 PolarHBondContact O-N 3.49Å; D247-R250 PolarHBondContact O-N 3.34Å; E248-R250 VanDerWaalsContact C-N 3.34Å |
| 251 | R | 52.4 | Low | 60.7 | Low | 198 Ų | 198 | 125.2 Ų | 125.2 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | trans | -138 | 131.4 | 169.7 | -67 | -166 | 166 | 170.7 | 1 | 109.7 | D247 | D247-R251 PolarHBondContact O-N 3.02Š| ||
| 252 | P | 47.6 | Very low | 58.7 | Low | 123 Ų | 123 | 125.8 Ų | 125.8 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | S | Bend | cis | -133.1 | -167.5 | 30.7 | 32.9 | -10.5 | 0 | 0 | 0 | 113.5 | ||
| 253 | V | 51.4 | Low | 56.2 | Low | 130 Ų | 130 | 126 Ų | 126 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | trans | 97.3 | 53 | 174.1 | -158.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 254 | L | 44.6 | Very low | 53.8 | Low | 181 Ų | 181 | 128 Ų | 128 | 95% | 0.948 | 74% | 0.74 | S | S | * | * | trans | -142.1 | 70.2 | 143 | -75.6 | -177.1 | 0 | 0 | 0 | 109.1 | ||||
| 255 | R | 47.7 | Very low | 51.9 | Low | 245 Ų | 245 | 128.4 Ų | 128.4 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | trans | -152.5 | 100.6 | 159.4 | -156.1 | 163.5 | -173.4 | 114.4 | -1.2 | 110.3 | ||||
| 256 | G | 37.8 | Very low | 49.5 | Very low | 82 Ų | 82 | 132.3 Ų | 132.3 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -61.4 | 155.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 257 | G | 42.1 | Very low | 47.8 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 170.5 | 76.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 258 | S | 39 | Very low | 46 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | 28.1 | 128.3 | 147.3 | -56.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 259 | A | 37.4 | Very low | 44.8 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | 82.5 | 130.4 | 131.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 260 | A | 42.5 | Very low | 44.4 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | 71.2 | 143.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 261 | A | 39.4 | Very low | 44.1 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | cis | -170.9 | 162 | -18.3 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 262 | T | 47 | Very low | 43.6 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | 70.5 | 103 | 156.9 | 74.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 263 | S | 39.2 | Very low | 43.3 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -37.6 | 158.2 | 154.7 | 50.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 264 | N | 39.2 | Very low | 42.9 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | 99.4 | 156.8 | 160.7 | -62.8 | -21 | 0 | 0 | 0 | 116.2 | ||||
| 265 | P | 46.6 | Very low | 42.7 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | -129.2 | -169.8 | -78.5 | 31.1 | -9.2 | 0 | 0 | 0 | 110.2 | |||||
| 266 | H | 34.3 | Very low | 42.2 | Very low | 172 Ų | 172 | 124.9 Ų | 124.9 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | 91.3 | 128.3 | 153.4 | -153.5 | 59.2 | 0 | 0 | 0 | 119.2 | ||||
| 267 | H | 46.7 | Very low | 42.9 | Very low | 121 Ų | 121 | 129 Ų | 129 | 56% | 0.56 | 76% | 0.761 | S | S | * | * | trans | 87.9 | 102.7 | 146.6 | -138.2 | -70.2 | 0 | 0 | 0 | 119.9 | ||||
| 268 | D | 41.5 | Very low | 42.6 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | trans | 21 | 126.6 | 132.8 | -35.5 | -34.4 | 0 | 0 | 0 | 118.5 | ||||
| 269 | N | 46 | Very low | 42.9 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | -179.4 | 128.8 | 118.2 | -96.2 | -34.3 | 0 | 0 | 0 | 115.1 | |||||
| 270 | V | 50.8 | Low | 43 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | 89 | 98.5 | 137.5 | 177.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 271 | R | 52.4 | Low | 43.5 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | 72.4 | 120.7 | 96.5 | -100.5 | 171.4 | -177.1 | 164.5 | 8.4 | 112.9 | |||||
| 272 | Y | 42 | Very low | 43.5 | Very low | 203 Ų | 203 | 141.2 Ų | 141.2 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | cis | -164.3 | 130.5 | 37 | -100.1 | -88.1 | 0 | 0 | 0 | 111.9 | ||||
| 273 | G | 42.4 | Very low | 43.4 | Very low | 70 Ų | 70 | 137.6 Ų | 137.6 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | 98.9 | 119.7 | 127.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 274 | I | 42.9 | Very low | 43.7 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | cis | -150.2 | 105.6 | 12.4 | -65.4 | 173.6 | 0 | 0 | 0 | 105.8 | ||||
| 275 | S | 39.5 | Very low | 44.4 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -103.4 | 129.7 | 163.9 | 48.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 276 | N | 37.4 | Very low | 45 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | trans | -150.6 | 65.5 | 177.6 | -137.2 | 55.4 | 0 | 0 | 0 | 108.7 | ||||
| 277 | I | 52.8 | Low | 46.1 | Very low | 168 Ų | 168 | 133 Ų | 133 | 86% | 0.862 | 73% | 0.73 | S | S | * | * | trans | -167 | 80.3 | 157.7 | 40.7 | 161.7 | 0 | 0 | 0 | 108 | ||||
| 278 | D | 35 | Very low | 46.6 | Very low | 154 Ų | 154 | 134 Ų | 134 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -153.2 | 103.5 | 148.7 | -131.4 | -16.5 | 0 | 0 | 0 | 108.2 | ||||
| 279 | T | 46.9 | Very low | 47.7 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -147.1 | 82.6 | 162.2 | -35.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 280 | T | 39.3 | Very low | 48.5 | Very low | 101 Ų | 101 | 130 Ų | 130 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | 24.2 | 132.8 | 123.5 | 2.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 281 | I | 52.2 | Low | 49.3 | Very low | 140 Ų | 140 | 129 Ų | 129 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | trans | 89.6 | 90.1 | 150.4 | -58.2 | 157.1 | 0 | 0 | 0 | 113.8 | G283 | I281-G283 PolarHBondContact O-N 3.35Š| ||
| 282 | E | 39.4 | Very low | 50.7 | Low | 198 Ų | 198 | 124.7 Ų | 124.7 | 93% | 0.925 | 71% | 0.71 | S | S | * | * | 50.2 | 69.8 | 118 | -148.1 | 170.3 | -155.7 | 0 | 0 | 114.6 | |||||
| 283 | G | 44.5 | Very low | 52.6 | Low | 57 Ų | 57 | 117.2 Ų | 117.2 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | trans | -156.4 | 99.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I281 | I281-G283 PolarHBondContact O-N 3.35Š| ||
| 284 | T | 46.6 | Very low | 54.5 | Low | 109 Ų | 109 | 115.7 Ų | 115.7 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | trans | 41.5 | 100.3 | 153.6 | 55.7 | 0 | 0 | 0 | 0 | 117.5 | D286 D287 | T284-D286 PolarHBondContact O-N 3.05Å; T284-D287 PolarHBondContact O-N 2.84Å | ||
| 285 | S | 54.4 | Low | 56.5 | Low | 99 Ų | 99 | 109.8 Ų | 109.8 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -41 | -17.3 | 175.8 | -175.8 | 0 | 0 | 0 | 0 | 117.4 | ||
| 286 | D | 58.7 | Low | 58.9 | Low | 122 Ų | 122 | 108.6 Ų | 108.6 | 65% | 0.652 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.1 | -31.4 | -177.1 | -60 | -48.4 | 0 | 0 | 0 | 112.7 | T284 T289 V290 | T284-D286 PolarHBondContact O-N 3.05Å; D286-T289 PolarHBondContact O-N 2.8Å; D286-T289 PolarHBondContact O-OG1 3.38Å; D286-V290 PolarHBondContact O-N 2.84Å |
| 287 | D | 57.3 | Low | 61.4 | Low | 109 Ų | 109 | 110 Ų | 110 | 58% | 0.583 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.5 | -30 | -175.3 | -126.2 | 8.1 | 0 | 0 | 0 | 112.2 | T284 T289 V290 V291 | T284-D287 PolarHBondContact O-N 2.84Å; D287-T289 VanDerWaalsContact C-N 3.26Å; D287-T289 PolarHBondContact O-N 3.46Å; D287-V290 PolarHBondContact O-N 2.87Å; D287-V291 WeakPolarHBondContact O-CB 3.32Å; D287-V291 VanDerWaalsContact O-CG2 3.3Å; D287-V291 WeakPolarHBondContact O-CG2 3.46Å; D287-V291 PolarHBondContact O-N 3.38Å; D287-V291 VanDerWaalsContact O-N 3.07Å |
| 288 | L | 55.7 | Low | 63.2 | Low | 144 Ų | 144 | 110.8 Ų | 110.8 | 75% | 0.754 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.8 | -35.1 | 174.2 | -136.3 | 86.8 | 0 | 0 | 0 | 111.5 | D292 | L288-D292 VanDerWaalsContact O-CB 3.31Å; L288-D292 WeakPolarHBondContact O-CB 3.47Å; L288-D292 PolarHBondContact O-N 3.44Å |
| 289 | T | 65.7 | Low | 65.9 | Low | 84 Ų | 84 | 109.8 Ų | 109.8 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -74.5 | -34.8 | -179 | 72.7 | 0 | 0 | 0 | 0 | 112.6 | D286 D287 A293 | D286-T289 PolarHBondContact O-N 2.8Å; D286-T289 PolarHBondContact O-OG1 3.38Å; D287-T289 VanDerWaalsContact C-N 3.26Å; D287-T289 PolarHBondContact O-N 3.46Å; T289-A293 WeakPolarHBondContact O-CB 3.46Å; T289-A293 PolarHBondContact O-N 2.9Å |
| 290 | V | 62 | Low | 67.9 | Low | 92 Ų | 92 | 108 Ų | 108 | 56% | 0.558 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.8 | -40.3 | 177.6 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | D286 D287 A293 A294 | D286-V290 PolarHBondContact O-N 2.84Å; D287-V290 PolarHBondContact O-N 2.87Å; V290-A293 PolarHBondContact O-N 3.49Å; V290-A294 WeakPolarHBondContact O-CB 3.32Å; V290-A294 PolarHBondContact O-N 3.32Å |
| 291 | V | 67.9 | Low | 70.3 | Confident | 91 Ų | 91 | 108.7 Ų | 108.7 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.2 | -39.4 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | D287 S295 | D287-V291 WeakPolarHBondContact O-CB 3.32Å; D287-V291 VanDerWaalsContact O-CG2 3.3Å; D287-V291 WeakPolarHBondContact O-CG2 3.46Å; D287-V291 PolarHBondContact O-N 3.38Å; D287-V291 VanDerWaalsContact O-N 3.07Å; V291-S295 WeakPolarHBondContact O-CB 3.15Å; V291-S295 PolarHBondContact O-N 3.33Å; V291-S295 PolarHBondContact O-OG 2.9Å |
| 292 | D | 81.4 | Confident | 72.1 | Confident | 109 Ų | 109 | 108.3 Ų | 108.3 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.7 | -40.7 | 176 | -166.1 | 33.5 | 0 | 0 | 0 | 111.7 | L288 A294 S295 L296 | L288-D292 VanDerWaalsContact O-CB 3.31Å; L288-D292 WeakPolarHBondContact O-CB 3.47Å; L288-D292 PolarHBondContact O-N 3.44Å; D292-A294 VanDerWaalsContact C-N 3.32Å; D292-A294 PolarHBondContact O-N 3.21Å; D292-S295 PolarHBondContact O-N 3.44Å; D292-S295 VanDerWaalsContact O-N 3.16Å; D292-L296 VanDerWaalsContact O-CB 3.24Å; D292-L296 WeakPolarHBondContact O-CB 3.35Å; D292-L296 PolarHBondContact O-N 3.21Å |
| 293 | A | 81.9 | Confident | 74.4 | Confident | 45 Ų | 45 | 104.4 Ų | 104.4 | 37% | 0.372 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.5 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T289 V290 R297 | T289-A293 WeakPolarHBondContact O-CB 3.46Å; T289-A293 PolarHBondContact O-N 2.9Å; V290-A293 PolarHBondContact O-N 3.49Å; A293-R297 WeakPolarHBondContact O-CB 3.41Å; A293-R297 VanDerWaalsContact O-CG 3.26Å; A293-R297 WeakPolarHBondContact O-CG 3.36Å; A293-R297 PolarHBondContact O-N 2.7Å |
| 294 | A | 82.9 | Confident | 76.6 | Confident | 39 Ų | 39 | 106.2 Ų | 106.2 | 32% | 0.322 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.3 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | V290 D292 R297 R298 | V290-A294 WeakPolarHBondContact O-CB 3.32Å; V290-A294 PolarHBondContact O-N 3.32Å; D292-A294 VanDerWaalsContact C-N 3.32Å; D292-A294 PolarHBondContact O-N 3.21Å; A294-R297 PolarHBondContact O-N 3.04Å; A294-R298 VanDerWaalsContact O-CG 3.3Å; A294-R298 WeakPolarHBondContact O-CG 3.24Å; A294-R298 PolarHBondContact O-N 3.33Å |
| 295 | S | 84.2 | Confident | 78.5 | Confident | 44 Ų | 44 | 110 Ų | 110 | 31% | 0.308 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.1 | -40.8 | 177.4 | -63 | 0 | 0 | 0 | 0 | 112 | V291 D292 R298 Q299 | V291-S295 WeakPolarHBondContact O-CB 3.15Å; V291-S295 PolarHBondContact O-N 3.33Å; V291-S295 PolarHBondContact O-OG 2.9Å; D292-S295 PolarHBondContact O-N 3.44Å; D292-S295 VanDerWaalsContact O-N 3.16Å; S295-R298 WeakPolarHBondContact O-CB 3.49Å; S295-R298 PolarHBondContact O-N 3.14Å; S295-Q299 WeakPolarHBondContact O-CG 3.48Å; S295-Q299 PolarHBondContact O-N 2.91Å |
| 296 | L | 90.1 | Very high | 80.2 | Confident | 90 Ų | 90 | 112.8 Ų | 112.8 | 47% | 0.471 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.2 | -46.4 | 173.8 | -177.8 | 66.5 | 0 | 0 | 0 | 111 | D292 R298 Q299 I300 | D292-L296 VanDerWaalsContact O-CB 3.24Å; D292-L296 WeakPolarHBondContact O-CB 3.35Å; D292-L296 PolarHBondContact O-N 3.21Å; L296-R298 VanDerWaalsContact C-N 3.29Å; L296-R298 PolarHBondContact O-N 3.47Å; L296-Q299 PolarHBondContact O-N 2.98Å; L296-Q299 VanDerWaalsContact O-N 3.1Å; L296-I300 HydrophobicContact CD1-CD1 4.27Å; L296-I300 HydrophobicContact CD1-CG1 4.42Å; L296-I300 HydrophobicContact CD2-CD1 4.45Å; L296-I300 HydrophobicContact CG-CD1 3.86Å; L296-I300 HydrophobicContact CG-CG1 4.42Å; L296-I300 VanDerWaalsContact O-CG1 3.3Å; L296-I300 WeakPolarHBondContact O-CG1 3.2Å; L296-I300 PolarHBondContact O-N 3Å |
| 297 | R | 90.7 | Very high | 81.3 | Confident | 182 Ų | 182 | 111.5 Ų | 111.5 | 69% | 0.687 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -56.9 | -43.7 | 174.1 | -75.8 | 176.7 | -177.3 | -145.3 | 1.9 | 111.4 | A293 A294 Q299 I300 I301 | A293-R297 WeakPolarHBondContact O-CB 3.41Å; A293-R297 VanDerWaalsContact O-CG 3.26Å; A293-R297 WeakPolarHBondContact O-CG 3.36Å; A293-R297 PolarHBondContact O-N 2.7Å; A294-R297 PolarHBondContact O-N 3.04Å; R297-Q299 PolarHBondContact O-N 3.11Å; R297-I300 PolarHBondContact O-N 2.95Å; R297-I301 WeakPolarHBondContact O-CD1 3.42Å; R297-I301 VanDerWaalsContact O-CG1 3.23Å; R297-I301 WeakPolarHBondContact O-CG1 3.33Å; R297-I301 PolarHBondContact O-N 2.76Å |
| 298 | R | 91.1 | Very high | 82.6 | Confident | 184 Ų | 184 | 111.1 Ų | 111.1 | 69% | 0.694 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.4 | -39.5 | 175.4 | -69.8 | 170.8 | -173.9 | -176.4 | 3.5 | 112.3 | A294 S295 L296 K302 | A294-R298 VanDerWaalsContact O-CG 3.3Å; A294-R298 WeakPolarHBondContact O-CG 3.24Å; A294-R298 PolarHBondContact O-N 3.33Å; S295-R298 WeakPolarHBondContact O-CB 3.49Å; S295-R298 PolarHBondContact O-N 3.14Å; L296-R298 VanDerWaalsContact C-N 3.29Å; L296-R298 PolarHBondContact O-N 3.47Å; R298-K302 WeakPolarHBondContact O-CB 3.14Å; R298-K302 PolarHBondContact O-N 2.88Å |
| 299 | Q | 90.9 | Very high | 83.6 | Confident | 133 Ų | 133 | 109 Ų | 109 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.4 | -43.3 | 176.9 | -76 | -175.5 | 10.2 | 0 | 0 | 112.6 | S295 L296 R297 I301 K302 L303 | S295-Q299 WeakPolarHBondContact O-CG 3.48Å; S295-Q299 PolarHBondContact O-N 2.91Å; L296-Q299 PolarHBondContact O-N 2.98Å; L296-Q299 VanDerWaalsContact O-N 3.1Å; R297-Q299 PolarHBondContact O-N 3.11Å; Q299-I301 VanDerWaalsContact C-N 3.32Å; Q299-I301 PolarHBondContact O-N 3.48Å; Q299-K302 PolarHBondContact O-N 3.34Å; Q299-K302 VanDerWaalsContact O-N 3.16Å; Q299-L303 WeakPolarHBondContact O-CB 3.33Å; Q299-L303 PolarHBondContact O-N 3.37Å |
| 300 | I | 88.9 | Confident | 84.1 | Confident | 95 Ų | 95 | 110.4 Ų | 110.4 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 175.5 | -68 | 165.7 | 0 | 0 | 0 | 109.8 | L296 R297 K302 L303 N304 | L296-I300 HydrophobicContact CD1-CD1 4.27Å; L296-I300 HydrophobicContact CD1-CG1 4.42Å; L296-I300 HydrophobicContact CD2-CD1 4.45Å; L296-I300 HydrophobicContact CG-CD1 3.86Å; L296-I300 HydrophobicContact CG-CG1 4.42Å; L296-I300 VanDerWaalsContact O-CG1 3.3Å; L296-I300 WeakPolarHBondContact O-CG1 3.2Å; L296-I300 PolarHBondContact O-N 3Å; R297-I300 PolarHBondContact O-N 2.95Å; I300-K302 VanDerWaalsContact C-N 3.34Å; I300-K302 PolarHBondContact O-N 2.87Å; I300-L303 PolarHBondContact O-N 3.45Å; I300-N304 VanDerWaalsContact O-CB 3.29Å; I300-N304 WeakPolarHBondContact O-CB 3.36Å; I300-N304 PolarHBondContact O-N 2.69Å |
| 301 | I | 88.7 | Confident | 84.9 | Confident | 117 Ų | 117 | 110.3 Ų | 110.3 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.9 | -43.3 | 176.1 | -67.1 | 164 | 0 | 0 | 0 | 111 | R297 Q299 L303 N304 R305 | R297-I301 WeakPolarHBondContact O-CD1 3.42Å; R297-I301 VanDerWaalsContact O-CG1 3.23Å; R297-I301 WeakPolarHBondContact O-CG1 3.33Å; R297-I301 PolarHBondContact O-N 2.76Å; Q299-I301 VanDerWaalsContact C-N 3.32Å; Q299-I301 PolarHBondContact O-N 3.48Å; I301-L303 VanDerWaalsContact C-N 3.34Å; I301-L303 PolarHBondContact O-N 3.2Å; I301-N304 PolarHBondContact O-N 2.82Å; I301-R305 WeakPolarHBondContact O-CB 3.41Å; I301-R305 PolarHBondContact O-N 2.88Å |
| 302 | K | 90 | Very high | 85.1 | Confident | 131 Ų | 131 | 110.6 Ų | 110.6 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -39.5 | 178.4 | -170.9 | 176.3 | -176.9 | 176.9 | 0 | 112 | R298 Q299 I300 R306 | R298-K302 WeakPolarHBondContact O-CB 3.14Å; R298-K302 PolarHBondContact O-N 2.88Å; Q299-K302 PolarHBondContact O-N 3.34Å; Q299-K302 VanDerWaalsContact O-N 3.16Å; I300-K302 VanDerWaalsContact C-N 3.34Å; I300-K302 PolarHBondContact O-N 2.87Å; K302-R306 WeakPolarHBondContact O-CG 3.34Å; K302-R306 PolarHBondContact O-N 3.3Å |
| 303 | L | 89.6 | Confident | 84.4 | Confident | 117 Ų | 117 | 110.3 Ų | 110.3 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.3 | -42.7 | 177.6 | -168.7 | 126.2 | 0 | 0 | 0 | 111.2 | Q299 I300 I301 R305 R306 L307 | Q299-L303 WeakPolarHBondContact O-CB 3.33Å; Q299-L303 PolarHBondContact O-N 3.37Å; I300-L303 PolarHBondContact O-N 3.45Å; I301-L303 VanDerWaalsContact C-N 3.34Å; I301-L303 PolarHBondContact O-N 3.2Å; L303-R305 PolarHBondContact O-N 3.45Å; L303-R306 PolarHBondContact O-N 2.96Å; L303-L307 WeakPolarHBondContact O-CB 3.47Å; L303-L307 PolarHBondContact O-N 2.99Å |
| 304 | N | 89.6 | Confident | 84.4 | Confident | 95 Ų | 95 | 113.1 Ų | 113.1 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 177.6 | -157.1 | -34 | 0 | 0 | 0 | 111.1 | I300 I301 R306 L307 Q308 | I300-N304 VanDerWaalsContact O-CB 3.29Å; I300-N304 WeakPolarHBondContact O-CB 3.36Å; I300-N304 PolarHBondContact O-N 2.69Å; I301-N304 PolarHBondContact O-N 2.82Å; N304-R306 PolarHBondContact O-N 3.48Å; N304-L307 PolarHBondContact O-N 3.46Å; N304-Q308 WeakPolarHBondContact O-CB 3.24Å; N304-Q308 PolarHBondContact O-N 2.88Å |
| 305 | R | 87.2 | Confident | 84 | Confident | 187 Ų | 187 | 116.3 Ų | 116.3 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.9 | -39 | 175.6 | -166.7 | 171.3 | -176.1 | 176.4 | 1.2 | 113.3 | I301 L303 L309 | I301-R305 WeakPolarHBondContact O-CB 3.41Å; I301-R305 PolarHBondContact O-N 2.88Å; L303-R305 PolarHBondContact O-N 3.45Å; R305-L309 WeakPolarHBondContact O-CG 3.4Å; R305-L309 PolarHBondContact O-N 2.85Å |
| 306 | R | 89.2 | Confident | 83.2 | Confident | 158 Ų | 158 | 119.2 Ų | 119.2 | 60% | 0.596 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.3 | -41.6 | 174.8 | -75.3 | 178.6 | 173.8 | -174 | -4.2 | 111.7 | K302 L303 N304 Q308 L309 L310 | K302-R306 WeakPolarHBondContact O-CG 3.34Å; K302-R306 PolarHBondContact O-N 3.3Å; L303-R306 PolarHBondContact O-N 2.96Å; N304-R306 PolarHBondContact O-N 3.48Å; R306-Q308 VanDerWaalsContact C-N 3.34Å; R306-L309 PolarHBondContact O-N 3.02Å; R306-L310 WeakPolarHBondContact O-CG 3.34Å; R306-L310 PolarHBondContact O-N 2.75Å |
| 307 | L | 83.4 | Confident | 82.2 | Confident | 95 Ų | 95 | 122 Ų | 122 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.3 | -39.7 | 178.1 | -168.5 | 142.6 | 0 | 0 | 0 | 111 | L303 N304 L310 E311 | L303-L307 WeakPolarHBondContact O-CB 3.47Å; L303-L307 PolarHBondContact O-N 2.99Å; N304-L307 PolarHBondContact O-N 3.46Å; L307-L310 CarbonylContact O-C 3.57Å; L307-L310 PolarHBondContact O-N 2.98Å; L307-E311 WeakPolarHBondContact O-CB 3.3Å; L307-E311 PolarHBondContact O-N 3.14Å |
| 308 | Q | 84.4 | Confident | 81.6 | Confident | 101 Ų | 101 | 114.6 Ų | 114.6 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.1 | -171.2 | 176 | -5.1 | 0 | 0 | 112.1 | N304 R306 L310 E311 E312 | N304-Q308 WeakPolarHBondContact O-CB 3.24Å; N304-Q308 PolarHBondContact O-N 2.88Å; R306-Q308 VanDerWaalsContact C-N 3.34Å; Q308-L310 VanDerWaalsContact C-N 3.35Å; Q308-L310 PolarHBondContact O-N 3.34Å; Q308-E311 PolarHBondContact O-N 2.84Å; Q308-E312 PolarHBondContact NE2-OE1 3.09Å; Q308-E312 WeakPolarHBondContact O-CB 3.31Å; Q308-E312 WeakPolarHBondContact O-CG 3.47Å; Q308-E312 PolarHBondContact O-N 3.31Å |
| 309 | L | 76.3 | Confident | 81 | Confident | 101 Ų | 101 | 112.2 Ų | 112.2 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 173.4 | -74.7 | 174.4 | 0 | 0 | 0 | 111.9 | R305 R306 E311 E312 E313 | R305-L309 WeakPolarHBondContact O-CG 3.4Å; R305-L309 PolarHBondContact O-N 2.85Å; R306-L309 PolarHBondContact O-N 3.02Å; L309-E311 VanDerWaalsContact C-N 3.33Å; L309-E312 PolarHBondContact O-N 3.48Å; L309-E313 PolarHBondContact O-N 2.97Å |
| 310 | L | 75 | Confident | 80.8 | Confident | 113 Ų | 113 | 113.9 Ų | 113.9 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.1 | -34.6 | 176.4 | -73.9 | 174.1 | 0 | 0 | 0 | 112.3 | R306 L307 Q308 N314 | R306-L310 WeakPolarHBondContact O-CG 3.34Å; R306-L310 PolarHBondContact O-N 2.75Å; L307-L310 CarbonylContact O-C 3.57Å; L307-L310 PolarHBondContact O-N 2.98Å; Q308-L310 VanDerWaalsContact C-N 3.35Å; Q308-L310 PolarHBondContact O-N 3.34Å; L310-N314 WeakPolarHBondContact O-CB 3.21Å; L310-N314 PolarHBondContact O-N 3.47Å |
| 311 | E | 79.2 | Confident | 80.6 | Confident | 90 Ų | 90 | 114.4 Ų | 114.4 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | 176.6 | -166.8 | -171.7 | 146 | 0 | 0 | 111.2 | L307 Q308 L309 N314 K315 | L307-E311 WeakPolarHBondContact O-CB 3.3Å; L307-E311 PolarHBondContact O-N 3.14Å; Q308-E311 PolarHBondContact O-N 2.84Å; L309-E311 VanDerWaalsContact C-N 3.33Å; E311-N314 PolarHBondContact O-N 2.98Å; E311-K315 HydrophobicContact CG-CD 4.37Å; E311-K315 VanDerWaalsContact O-CB 3.27Å; E311-K315 WeakPolarHBondContact O-CB 3.43Å; E311-K315 VanDerWaalsContact O-CG 3.22Å; E311-K315 WeakPolarHBondContact O-CG 3.21Å; E311-K315 PolarHBondContact O-N 2.64Å; E311-K315 VanDerWaalsContact OE1-CE 3.31Å; E311-K315 WeakPolarHBondContact OE1-CE 3.22Å; E311-K315 IonicContact OE1-NZ 2.67Å; E311-K315 PolarHBondContact OE1-NZ 2.96Å |
| 312 | E | 72.1 | Confident | 80.4 | Confident | 96 Ų | 96 | 114.7 Ų | 114.7 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 173.5 | -74.9 | 173.4 | -165.2 | 0 | 0 | 111.2 | Q308 L309 N314 K315 E316 | Q308-E312 PolarHBondContact NE2-OE1 3.09Å; Q308-E312 WeakPolarHBondContact O-CB 3.31Å; Q308-E312 WeakPolarHBondContact O-CG 3.47Å; Q308-E312 PolarHBondContact O-N 3.31Å; L309-E312 PolarHBondContact O-N 3.48Å; E312-N314 VanDerWaalsContact C-N 3.35Å; E312-N314 PolarHBondContact O-N 3.43Å; E312-K315 WeakPolarHBondContact O-CB 3.21Å; E312-K315 PolarHBondContact O-N 3.46Å; E312-E316 PolarHBondContact O-N 2.9Å |
| 313 | E | 68.2 | Low | 80.4 | Confident | 103 Ų | 103 | 112.3 Ų | 112.3 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 174.8 | -77 | -163.2 | -177.2 | 0 | 0 | 112.4 | L309 E316 R317 | L309-E313 PolarHBondContact O-N 2.97Å; E313-E316 PolarHBondContact O-N 3.4Å; E313-R317 WeakPolarHBondContact O-CG 3.47Å; E313-R317 PolarHBondContact O-N 3.01Å; E313-R317 IonicContact OE2-NH2 3.29Å; E313-R317 PolarHBondContact OE2-NH2 3.31Å |
| 314 | N | 80.1 | Confident | 80.5 | Confident | 104 Ų | 104 | 112.5 Ų | 112.5 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.3 | -39.1 | 178.2 | -164.2 | -27.7 | 0 | 0 | 0 | 110.8 | L310 E311 E312 E316 R317 A318 | L310-N314 WeakPolarHBondContact O-CB 3.21Å; L310-N314 PolarHBondContact O-N 3.47Å; E311-N314 PolarHBondContact O-N 2.98Å; E312-N314 VanDerWaalsContact C-N 3.35Å; E312-N314 PolarHBondContact O-N 3.43Å; N314-E316 PolarHBondContact O-N 3.44Å; N314-R317 PolarHBondContact O-N 3.08Å; N314-R317 VanDerWaalsContact O-N 3.11Å; N314-A318 VanDerWaalsContact O-CB 3.29Å; N314-A318 WeakPolarHBondContact O-CB 3.29Å; N314-A318 PolarHBondContact O-N 2.87Å |
| 315 | K | 74.5 | Confident | 80.8 | Confident | 106 Ų | 106 | 115.3 Ų | 115.3 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.4 | -39.5 | 170.7 | -82.8 | 165.8 | 171.1 | 161.7 | 0 | 111.2 | E311 E312 K319 | E311-K315 HydrophobicContact CG-CD 4.37Å; E311-K315 VanDerWaalsContact O-CB 3.27Å; E311-K315 WeakPolarHBondContact O-CB 3.43Å; E311-K315 VanDerWaalsContact O-CG 3.22Å; E311-K315 WeakPolarHBondContact O-CG 3.21Å; E311-K315 PolarHBondContact O-N 2.64Å; E311-K315 VanDerWaalsContact OE1-CE 3.31Å; E311-K315 WeakPolarHBondContact OE1-CE 3.22Å; E311-K315 IonicContact OE1-NZ 2.67Å; E311-K315 PolarHBondContact OE1-NZ 2.96Å; E312-K315 WeakPolarHBondContact O-CB 3.21Å; E312-K315 PolarHBondContact O-N 3.46Å; K315-K319 VanDerWaalsContact O-CB 3.31Å; K315-K319 WeakPolarHBondContact O-CB 3.49Å; K315-K319 WeakPolarHBondContact O-CD 3.38Å; K315-K319 WeakPolarHBondContact O-CG 3.31Å; K315-K319 PolarHBondContact O-N 3.29Å |
| 316 | E | 68.5 | Low | 81.1 | Confident | 105 Ų | 105 | 109.8 Ų | 109.8 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 174.7 | -70.4 | -165.3 | -177 | 0 | 0 | 113.1 | E312 E313 N314 K319 R320 | E312-E316 PolarHBondContact O-N 2.9Å; E313-E316 PolarHBondContact O-N 3.4Å; N314-E316 PolarHBondContact O-N 3.44Å; E316-K319 PolarHBondContact O-N 2.99Å; E316-R320 VanDerWaalsContact O-CG 3.28Å; E316-R320 WeakPolarHBondContact O-CG 3.46Å; E316-R320 PolarHBondContact O-N 2.93Å; E316-R320 IonicContact OE2-NH2 3.39Å; E316-R320 PolarHBondContact OE2-NH2 3.46Å |
| 317 | R | 69 | Low | 81.4 | Confident | 149 Ų | 149 | 106.9 Ų | 106.9 | 56% | 0.562 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -47.1 | 175.9 | -67.6 | -176.9 | -156.5 | -173.7 | 8.6 | 111.3 | E313 N314 K319 R320 E321 | E313-R317 WeakPolarHBondContact O-CG 3.47Å; E313-R317 PolarHBondContact O-N 3.01Å; E313-R317 IonicContact OE2-NH2 3.29Å; E313-R317 PolarHBondContact OE2-NH2 3.31Å; N314-R317 PolarHBondContact O-N 3.08Å; N314-R317 VanDerWaalsContact O-N 3.11Å; R317-K319 VanDerWaalsContact C-N 3.34Å; R317-K319 PolarHBondContact O-N 3.34Å; R317-R320 PolarHBondContact O-N 3.43Å; R317-R320 VanDerWaalsContact O-N 3.15Å; R317-E321 WeakPolarHBondContact O-CG 3.36Å; R317-E321 PolarHBondContact O-N 2.84Å |
| 318 | A | 78.2 | Confident | 82.1 | Confident | 27 Ų | 27 | 105.5 Ų | 105.5 | 22% | 0.223 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N314 E321 M322 | N314-A318 VanDerWaalsContact O-CB 3.29Å; N314-A318 WeakPolarHBondContact O-CB 3.29Å; N314-A318 PolarHBondContact O-N 2.87Å; A318-E321 PolarHBondContact O-N 2.96Å; A318-M322 HydrophobicContact CB-CE 4.09Å; A318-M322 WeakPolarHBondContact O-CB 3.04Å; A318-M322 VanDerWaalsContact O-CG 3.28Å; A318-M322 WeakPolarHBondContact O-CG 3.07Å; A318-M322 PolarHBondContact O-N 2.96Å |
| 319 | K | 78.6 | Confident | 82.6 | Confident | 133 Ų | 133 | 104.6 Ų | 104.6 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -45.1 | 173.2 | -79.5 | 171.5 | -175.2 | 177.4 | 0 | 111.7 | K315 E316 R317 E321 M322 V323 | K315-K319 VanDerWaalsContact O-CB 3.31Å; K315-K319 WeakPolarHBondContact O-CB 3.49Å; K315-K319 WeakPolarHBondContact O-CD 3.38Å; K315-K319 WeakPolarHBondContact O-CG 3.31Å; K315-K319 PolarHBondContact O-N 3.29Å; E316-K319 PolarHBondContact O-N 2.99Å; R317-K319 VanDerWaalsContact C-N 3.34Å; R317-K319 PolarHBondContact O-N 3.34Å; K319-E321 VanDerWaalsContact C-N 3.33Å; K319-M322 PolarHBondContact O-N 3.09Å; K319-V323 VanDerWaalsContact O-CG2 3.29Å; K319-V323 WeakPolarHBondContact O-CG2 3.33Å; K319-V323 PolarHBondContact O-N 2.85Å |
| 320 | R | 85.9 | Confident | 83.6 | Confident | 169 Ų | 169 | 102.5 Ų | 102.5 | 64% | 0.638 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 177.9 | -68.4 | 173.2 | -162.3 | -159.5 | 8.3 | 110.9 | E316 R317 V323 M324 | E316-R320 VanDerWaalsContact O-CG 3.28Å; E316-R320 WeakPolarHBondContact O-CG 3.46Å; E316-R320 PolarHBondContact O-N 2.93Å; E316-R320 IonicContact OE2-NH2 3.39Å; E316-R320 PolarHBondContact OE2-NH2 3.46Å; R317-R320 PolarHBondContact O-N 3.43Å; R317-R320 VanDerWaalsContact O-N 3.15Å; R320-V323 PolarHBondContact O-N 2.9Å; R320-M324 VanDerWaalsContact O-CG 3.27Å; R320-M324 WeakPolarHBondContact O-CG 3.43Å; R320-M324 PolarHBondContact O-N 2.87Å |
| 321 | E | 85.3 | Confident | 84.6 | Confident | 106 Ų | 106 | 103.5 Ų | 103.5 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 174.7 | -72.3 | 172.4 | -166.8 | 0 | 0 | 111.6 | R317 A318 K319 V323 M324 Y325 | R317-E321 WeakPolarHBondContact O-CG 3.36Å; R317-E321 PolarHBondContact O-N 2.84Å; A318-E321 PolarHBondContact O-N 2.96Å; K319-E321 VanDerWaalsContact C-N 3.33Å; E321-V323 VanDerWaalsContact C-N 3.32Å; E321-V323 PolarHBondContact O-N 3.33Å; E321-M324 PolarHBondContact O-N 3.5Å; E321-M324 VanDerWaalsContact O-N 3.16Å; E321-Y325 HydrophobicContact CB-CD2 4.36Å; E321-Y325 HydrophobicContact CB-CE2 4.07Å; E321-Y325 WeakPolarHBondContact O-CD2 3.43Å; E321-Y325 PolarHBondContact O-N 3.33Å |
| 322 | M | 84.5 | Confident | 85.4 | Confident | 123 Ų | 123 | 108.4 Ų | 108.4 | 61% | 0.606 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.2 | -43.1 | 175.5 | -79.7 | -173.3 | -106.2 | 0 | 0 | 111.9 | A318 K319 Y325 S326 | A318-M322 HydrophobicContact CB-CE 4.09Å; A318-M322 WeakPolarHBondContact O-CB 3.04Å; A318-M322 VanDerWaalsContact O-CG 3.28Å; A318-M322 WeakPolarHBondContact O-CG 3.07Å; A318-M322 PolarHBondContact O-N 2.96Å; K319-M322 PolarHBondContact O-N 3.09Å; M322-Y325 PolarHBondContact O-N 3.03Å; M322-S326 WeakPolarHBondContact O-CB 3.27Å; M322-S326 PolarHBondContact O-N 3.43Å |
| 323 | V | 90.7 | Very high | 86.6 | Confident | 80 Ų | 80 | 109.2 Ų | 109.2 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | K319 R320 E321 Y325 S326 I327 | K319-V323 VanDerWaalsContact O-CG2 3.29Å; K319-V323 WeakPolarHBondContact O-CG2 3.33Å; K319-V323 PolarHBondContact O-N 2.85Å; R320-V323 PolarHBondContact O-N 2.9Å; E321-V323 VanDerWaalsContact C-N 3.32Å; E321-V323 PolarHBondContact O-N 3.33Å; V323-Y325 PolarHBondContact O-N 3.37Å; V323-S326 PolarHBondContact O-N 3.41Å; V323-S326 PolarHBondContact O-OG 2.9Å; V323-I327 HydrophobicContact CG1-CD1 3.78Å; V323-I327 HydrophobicContact CG1-CG1 4.46Å; V323-I327 VanDerWaalsContact O-CG1 3.31Å; V323-I327 WeakPolarHBondContact O-CG1 3.43Å; V323-I327 PolarHBondContact O-N 2.92Å |
| 324 | M | 91.5 | Very high | 87.9 | Confident | 122 Ų | 122 | 109.3 Ų | 109.3 | 60% | 0.601 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.6 | -45.8 | 177.8 | -71.5 | -64 | -68.7 | 0 | 0 | 112.3 | R320 E321 S326 I327 T328 | R320-M324 VanDerWaalsContact O-CG 3.27Å; R320-M324 WeakPolarHBondContact O-CG 3.43Å; R320-M324 PolarHBondContact O-N 2.87Å; E321-M324 PolarHBondContact O-N 3.5Å; E321-M324 VanDerWaalsContact O-N 3.16Å; M324-S326 VanDerWaalsContact C-N 3.33Å; M324-S326 PolarHBondContact O-N 3.14Å; M324-I327 PolarHBondContact O-N 3.31Å; M324-T328 WeakPolarHBondContact O-CG2 3.18Å; M324-T328 PolarHBondContact O-N 3.34Å; M324-T328 PolarHBondContact O-OG1 3.04Å |
| 325 | Y | 94.5 | Very high | 88.6 | Confident | 154 Ų | 154 | 107.8 Ų | 107.8 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -38.8 | 174.7 | -69.2 | -57.9 | 0 | 0 | 0 | 112.1 | E321 M322 V323 I327 T328 V329 | E321-Y325 HydrophobicContact CB-CD2 4.36Å; E321-Y325 HydrophobicContact CB-CE2 4.07Å; E321-Y325 WeakPolarHBondContact O-CD2 3.43Å; E321-Y325 PolarHBondContact O-N 3.33Å; M322-Y325 PolarHBondContact O-N 3.03Å; V323-Y325 PolarHBondContact O-N 3.37Å; Y325-I327 VanDerWaalsContact C-N 3.33Å; Y325-I327 PolarHBondContact O-N 3.42Å; Y325-T328 WeakPolarHBondContact CA-OG1 3.31Å; Y325-T328 PolarHBondContact O-N 3.26Å; Y325-T328 PolarHBondContact O-OG1 2.91Å; Y325-V329 WeakPolarHBondContact O-CB 3.45Å; Y325-V329 VanDerWaalsContact O-CG2 3.27Å; Y325-V329 WeakPolarHBondContact O-CG2 3.38Å; Y325-V329 PolarHBondContact O-N 3.41Å |
| 326 | S | 94.5 | Very high | 89.6 | Confident | 70 Ų | 70 | 106 Ų | 106 | 49% | 0.49 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 176.5 | 77.9 | 0 | 0 | 0 | 0 | 111.8 | M322 V323 M324 A330 | M322-S326 WeakPolarHBondContact O-CB 3.27Å; M322-S326 PolarHBondContact O-N 3.43Å; V323-S326 PolarHBondContact O-N 3.41Å; V323-S326 PolarHBondContact O-OG 2.9Å; M324-S326 VanDerWaalsContact C-N 3.33Å; M324-S326 PolarHBondContact O-N 3.14Å; S326-A330 VanDerWaalsContact O-CB 3.23Å; S326-A330 WeakPolarHBondContact O-CB 3.27Å; S326-A330 PolarHBondContact O-N 2.78Å |
| 327 | I | 96.2 | Very high | 90.9 | Very high | 97 Ų | 97 | 107.7 Ų | 107.7 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 178.2 | -66.9 | 165.1 | 0 | 0 | 0 | 110.4 | V323 M324 Y325 A330 F331 | V323-I327 HydrophobicContact CG1-CD1 3.78Å; V323-I327 HydrophobicContact CG1-CG1 4.46Å; V323-I327 VanDerWaalsContact O-CG1 3.31Å; V323-I327 WeakPolarHBondContact O-CG1 3.43Å; V323-I327 PolarHBondContact O-N 2.92Å; M324-I327 PolarHBondContact O-N 3.31Å; Y325-I327 VanDerWaalsContact C-N 3.33Å; Y325-I327 PolarHBondContact O-N 3.42Å; I327-A330 PolarHBondContact O-N 2.99Å; I327-F331 WeakPolarHBondContact O-CB 3.4Å; I327-F331 PolarHBondContact O-N 3.43Å |
| 328 | T | 96.1 | Very high | 92.1 | Very high | 67 Ų | 67 | 105.1 Ų | 105.1 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | -179.7 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | M324 Y325 F331 W332 | M324-T328 WeakPolarHBondContact O-CG2 3.18Å; M324-T328 PolarHBondContact O-N 3.34Å; M324-T328 PolarHBondContact O-OG1 3.04Å; Y325-T328 WeakPolarHBondContact CA-OG1 3.31Å; Y325-T328 PolarHBondContact O-N 3.26Å; Y325-T328 PolarHBondContact O-OG1 2.91Å; T328-F331 PolarHBondContact O-N 3.45Å; T328-W332 WeakPolarHBondContact O-CB 3.37Å; T328-W332 PolarHBondContact O-N 3.22Å |
| 329 | V | 96.8 | Very high | 92.9 | Very high | 82 Ų | 82 | 113.7 Ų | 113.7 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 175.4 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | Y325 F331 W332 L333 | Y325-V329 WeakPolarHBondContact O-CB 3.45Å; Y325-V329 VanDerWaalsContact O-CG2 3.27Å; Y325-V329 WeakPolarHBondContact O-CG2 3.38Å; Y325-V329 PolarHBondContact O-N 3.41Å; V329-F331 VanDerWaalsContact C-N 3.35Å; V329-F331 PolarHBondContact O-N 2.97Å; V329-W332 WeakPolarHBondContact O-CB 3.21Å; V329-W332 PolarHBondContact O-N 2.83Å; V329-L333 HydrophobicContact CG1-CD1 3.92Å; V329-L333 HydrophobicContact CG1-CG 4.24Å; V329-L333 VanDerWaalsContact O-CG 3.32Å; V329-L333 WeakPolarHBondContact O-CG 3.4Å; V329-L333 PolarHBondContact O-N 3.4Å |
| 330 | A | 96.4 | Very high | 93.6 | Very high | 57 Ų | 57 | 115.5 Ų | 115.5 | 47% | 0.471 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.4 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | S326 I327 L333 L334 | S326-A330 VanDerWaalsContact O-CB 3.23Å; S326-A330 WeakPolarHBondContact O-CB 3.27Å; S326-A330 PolarHBondContact O-N 2.78Å; I327-A330 PolarHBondContact O-N 2.99Å; A330-L333 PolarHBondContact O-N 2.88Å; A330-L334 WeakPolarHBondContact O-CB 3.31Å; A330-L334 PolarHBondContact O-N 3.17Å |
| 331 | F | 96.3 | Very high | 93.9 | Very high | 133 Ų | 133 | 116.5 Ų | 116.5 | 58% | 0.583 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.4 | -44.2 | 174.7 | 176.5 | -102.7 | 0 | 0 | 0 | 111.9 | I327 T328 V329 L334 N335 | I327-F331 WeakPolarHBondContact O-CB 3.4Å; I327-F331 PolarHBondContact O-N 3.43Å; T328-F331 PolarHBondContact O-N 3.45Å; V329-F331 VanDerWaalsContact C-N 3.35Å; V329-F331 PolarHBondContact O-N 2.97Å; F331-L334 PolarHBondContact O-N 3.1Å; F331-N335 WeakPolarHBondContact CD1-ND2 3.43Å; F331-N335 WeakPolarHBondContact CE1-ND2 3.46Å; F331-N335 WeakPolarHBondContact CE2-ND2 3.2Å; F331-N335 WeakPolarHBondContact CZ-ND2 3.46Å; F331-N335 WeakPolarHBondContact O-CB 3.44Å; F331-N335 PolarHBondContact O-N 3.35Å; F331-N335 PolarHBondContact O-ND2 2.78Å; F331-N335 VanDerWaalsContact O-ND2 3.14Å |
| 332 | W | 95.9 | Very high | 93.9 | Very high | 193 Ų | 193 | 124.8 Ų | 124.8 | 73% | 0.731 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.2 | -47.2 | 175.8 | -104.3 | 90 | 0 | 0 | 0 | 112.7 | T328 V329 N335 S336 | T328-W332 WeakPolarHBondContact O-CB 3.37Å; T328-W332 PolarHBondContact O-N 3.22Å; V329-W332 WeakPolarHBondContact O-CB 3.21Å; V329-W332 PolarHBondContact O-N 2.83Å; W332-N335 PolarHBondContact O-N 2.98Å; W332-S336 WeakPolarHBondContact O-CB 3.31Å; W332-S336 PolarHBondContact O-N 2.93Å |
| 333 | L | 96.9 | Very high | 94.4 | Very high | 113 Ų | 113 | 124.9 Ų | 124.9 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64 | -42.3 | 178.7 | -69.8 | 175.6 | 0 | 0 | 0 | 111.7 | V329 A330 S336 W337 | V329-L333 HydrophobicContact CG1-CD1 3.92Å; V329-L333 HydrophobicContact CG1-CG 4.24Å; V329-L333 VanDerWaalsContact O-CG 3.32Å; V329-L333 WeakPolarHBondContact O-CG 3.4Å; V329-L333 PolarHBondContact O-N 3.4Å; A330-L333 PolarHBondContact O-N 2.88Å; L333-S336 PolarHBondContact O-N 3.33Å; L333-W337 VanDerWaalsContact O-CB 3.24Å; L333-W337 WeakPolarHBondContact O-CB 3.45Å; L333-W337 PolarHBondContact O-N 3.04Å |
| 334 | L | 96 | Very high | 94.6 | Very high | 105 Ų | 105 | 127.2 Ų | 127.2 | 55% | 0.55 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.5 | -42 | 179.6 | -158.2 | 72.8 | 0 | 0 | 0 | 111.4 | A330 F331 W337 L338 | A330-L334 WeakPolarHBondContact O-CB 3.31Å; A330-L334 PolarHBondContact O-N 3.17Å; F331-L334 PolarHBondContact O-N 3.1Å; L334-W337 PolarHBondContact O-N 3.1Å; L334-L338 WeakPolarHBondContact O-CB 3.46Å; L334-L338 VanDerWaalsContact O-CG 3.31Å; L334-L338 WeakPolarHBondContact O-CG 3.46Å; L334-L338 PolarHBondContact O-N 3.41Å |
| 335 | N | 94.8 | Very high | 94.8 | Very high | 72 Ų | 72 | 127.5 Ų | 127.5 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.7 | -45 | 174.5 | -75.6 | -33.4 | 0 | 0 | 0 | 112.1 | F331 W332 W337 L338 W339 | F331-N335 WeakPolarHBondContact CD1-ND2 3.43Å; F331-N335 WeakPolarHBondContact CE1-ND2 3.46Å; F331-N335 WeakPolarHBondContact CE2-ND2 3.2Å; F331-N335 WeakPolarHBondContact CZ-ND2 3.46Å; F331-N335 WeakPolarHBondContact O-CB 3.44Å; F331-N335 PolarHBondContact O-N 3.35Å; F331-N335 PolarHBondContact O-ND2 2.78Å; F331-N335 VanDerWaalsContact O-ND2 3.14Å; W332-N335 PolarHBondContact O-N 2.98Å; N335-W337 VanDerWaalsContact C-N 3.32Å; N335-W337 PolarHBondContact O-N 3.14Å; N335-L338 PolarHBondContact O-N 2.92Å; N335-W339 WeakPolarHBondContact O-CB 3.43Å; N335-W339 PolarHBondContact O-N 3.33Å |
| 336 | S | 95.8 | Very high | 94.8 | Very high | 70 Ų | 70 | 125.9 Ų | 125.9 | 49% | 0.49 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.9 | -40.6 | 177 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | W332 L333 W339 F340 | W332-S336 WeakPolarHBondContact O-CB 3.31Å; W332-S336 PolarHBondContact O-N 2.93Å; L333-S336 PolarHBondContact O-N 3.33Å; S336-W339 PolarHBondContact O-N 3.07Å; S336-F340 WeakPolarHBondContact O-CB 2.99Å; S336-F340 PolarHBondContact O-N 3.33Å |
| 337 | W | 95.8 | Very high | 94.8 | Very high | 140 Ų | 140 | 129.4 Ų | 129.4 | 53% | 0.53 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.2 | -42.8 | 177 | -175.7 | 79.5 | 0 | 0 | 0 | 112.9 | L333 L334 N335 W339 F340 R341 | L333-W337 VanDerWaalsContact O-CB 3.24Å; L333-W337 WeakPolarHBondContact O-CB 3.45Å; L333-W337 PolarHBondContact O-N 3.04Å; L334-W337 PolarHBondContact O-N 3.1Å; N335-W337 VanDerWaalsContact C-N 3.32Å; N335-W337 PolarHBondContact O-N 3.14Å; W337-W339 VanDerWaalsContact C-N 3.3Å; W337-W339 PolarHBondContact O-N 3.46Å; W337-F340 PolarHBondContact O-N 3.18Å; W337-R341 PolarHBondContact O-N 3.09Å; W337-R341 VanDerWaalsContact O-N 3.09Å |
| 338 | L | 94.6 | Very high | 94.7 | Very high | 94 Ų | 94 | 131.6 Ų | 131.6 | 49% | 0.492 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.8 | -37.7 | 174.7 | -78.4 | 169.2 | 0 | 0 | 0 | 111.9 | L334 N335 R341 R342 | L334-L338 WeakPolarHBondContact O-CB 3.46Å; L334-L338 VanDerWaalsContact O-CG 3.31Å; L334-L338 WeakPolarHBondContact O-CG 3.46Å; L334-L338 PolarHBondContact O-N 3.41Å; N335-L338 PolarHBondContact O-N 2.92Å; L338-R341 PolarHBondContact O-N 3.09Å; L338-R342 PolarHBondContact O-N 3.26Å |
| 339 | W | 93.3 | Very high | 94.6 | Very high | 208 Ų | 208 | 136.2 Ų | 136.2 | 79% | 0.788 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.4 | -42.5 | 175.1 | -172.2 | 78.1 | 0 | 0 | 0 | 111.9 | N335 S336 W337 R341 R342 | N335-W339 WeakPolarHBondContact O-CB 3.43Å; N335-W339 PolarHBondContact O-N 3.33Å; S336-W339 PolarHBondContact O-N 3.07Å; W337-W339 VanDerWaalsContact C-N 3.3Å; W337-W339 PolarHBondContact O-N 3.46Å; W339-R341 PolarHBondContact O-N 3.18Å; W339-R342 PolarHBondContact O-N 3.43Å |
| 340 | F | 93.5 | Very high | 94.5 | Very high | 171 Ų | 171 | 140.4 Ų | 140.4 | 75% | 0.75 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.7 | -26.4 | 177.9 | -170.3 | -98.1 | 0 | 0 | 0 | 113.4 | S336 W337 | S336-F340 WeakPolarHBondContact O-CB 2.99Å; S336-F340 PolarHBondContact O-N 3.33Å; W337-F340 PolarHBondContact O-N 3.18Å |
| 341 | R | 91.7 | Very high | 94.3 | Very high | 189 Ų | 189 | 147.3 Ų | 147.3 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -83.6 | -15.7 | 179 | -167.7 | 172.3 | 178.1 | -177.6 | -0.1 | 113.6 | W337 L338 W339 | W337-R341 PolarHBondContact O-N 3.09Å; W337-R341 VanDerWaalsContact O-N 3.09Å; L338-R341 PolarHBondContact O-N 3.09Å; W339-R341 PolarHBondContact O-N 3.18Å |
| 342 | R | 87.3 | Confident | 94.1 | Very high | 280 Ų | 280 | 148.6 Ų | 148.6 | 100% | 1.057 | 64% | 0.643 | S | S | * | * | trans | -89.6 | 0 | -178.1 | -178.4 | 162.8 | 177.4 | 89.3 | -0.7 | 111.8 | L338 W339 | L338-R342 PolarHBondContact O-N 3.26Å; W339-R342 PolarHBondContact O-N 3.43Å |
Retrieved 342 of 342 residues in 1285.1 ms
(Link to these results)