| 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 | 38.7 | Very low | 37.7 | Very low | 251 Ų | 251 | 141.5 Ų | 141.5 | 100% | 1.236 | 82% | 0.823 | S | S | * | * | 0 | 110.6 | 0 | -74.3 | 171.6 | -178.3 | 0 | 0 | 106.6 | |||||
| 2 | E | 38.7 | Very low | 37.3 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | trans | -70.5 | 156 | 172.1 | -83 | -175.3 | 86.2 | 0 | 0 | 112.3 | ||||
| 3 | L | 36.8 | Very low | 37.1 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | 180 | 102.8 | 129.3 | -95.1 | 160.9 | 0 | 0 | 0 | 105.9 | |||||
| 4 | Q | 39.2 | Very low | 36.9 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 81% | 0.811 | S | S | * | * | 56.3 | 122.5 | 77.7 | -145.3 | 152.3 | 24.5 | 0 | 0 | 111.5 | |||||
| 5 | S | 32.4 | Very low | 36.8 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | -168 | 158.6 | 54.6 | -177.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 6 | Q | 46.3 | Very low | 37 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -57.7 | 160.2 | 170.5 | -63.6 | -152.2 | 62.3 | 0 | 0 | 114.6 | ||||
| 7 | H | 33.7 | Very low | 37 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | 176.9 | 121.6 | 119.6 | -101.5 | -87.4 | 0 | 0 | 0 | 111.8 | |||||
| 8 | G | 36.3 | Very low | 36.8 | Very low | 58 Ų | 58 | 141.3 Ų | 141.3 | 60% | 0.598 | 80% | 0.801 | S | S | * | * | trans | -82.6 | -175.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | P | 47.8 | Very low | 36.9 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | cis | -149.1 | -173.8 | 32.8 | 39.5 | -16.5 | 0 | 0 | 0 | 116.6 | ||||
| 10 | A | 32.8 | Very low | 37.2 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | 73.9 | 113.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 11 | G | 31.4 | Very low | 37.6 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -165.4 | 103.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 12 | S | 33.4 | Very low | 37.7 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -61.9 | 128.6 | -173.3 | 179.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 13 | L | 34.6 | Very low | 37.8 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | 27.8 | 107.7 | 126.5 | -144.7 | 153.1 | 0 | 0 | 0 | 118.3 | |||||
| 14 | V | 34.8 | Very low | 38 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -146.7 | 95 | 132.9 | -172 | 0 | 0 | 0 | 0 | 108.3 | I16 | V14-I16 HydrophobicContact CG1-CD1 4.36Å; V14-I16 HydrophobicContact CG1-CG1 3.69Å | ||
| 15 | V | 35.3 | Very low | 38.1 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -87.1 | 102.5 | 161.5 | 170 | 0 | 0 | 0 | 0 | 106.3 | Q17 | V15-Q17 PolarHBondContact O-N 3.23Š| ||
| 16 | I | 39.3 | Very low | 38.4 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | trans | -78 | 102.8 | 163.5 | -58.4 | -175.2 | 0 | 0 | 0 | 106.4 | V14 Q18 | V14-I16 HydrophobicContact CG1-CD1 4.36Å; V14-I16 HydrophobicContact CG1-CG1 3.69Å; I16-Q18 PolarHBondContact O-N 2.85Å; I16-Q18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | Q | 38 | Very low | 38.3 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -57.3 | 106.1 | 166 | -174.4 | 103.1 | 33.8 | 0 | 0 | 109 | V15 | V15-Q17 PolarHBondContact O-N 3.23Š| ||
| 18 | Q | 33.6 | Very low | 38.6 | Very low | 172 Ų | 172 | 125.1 Ų | 125.1 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -87.9 | 131.2 | 159 | -80.2 | -159.5 | -16.2 | 0 | 0 | 109.1 | I16 S20 | I16-Q18 PolarHBondContact O-N 2.85Å; I16-Q18 VanDerWaalsContact O-N 3.11Å; Q18-S20 PolarHBondContact O-N 3.09Å | ||
| 19 | P | 37.3 | Very low | 38.9 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 66% | 0.662 | 71% | 0.71 | S | S | * | * | trans | -71.5 | 124.6 | 179.6 | 27.6 | -30.8 | 0 | 0 | 0 | 110.4 | L21 | P19-L21 PolarHBondContact O-N 3.11Å; P19-L21 VanDerWaalsContact O-N 3.07Å | ||
| 20 | S | 43.9 | Very low | 38.7 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | trans | -63.2 | 103.4 | 164.6 | 174.2 | 0 | 0 | 0 | 0 | 109 | Q18 | Q18-S20 PolarHBondContact O-N 3.09Š| ||
| 21 | L | 44.3 | Very low | 39.2 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | trans | -113.7 | 7.2 | 171.2 | -82 | 176.1 | 0 | 0 | 0 | 113.3 | P19 | P19-L21 PolarHBondContact O-N 3.11Å; P19-L21 VanDerWaalsContact O-N 3.07Å | ||
| 22 | D | 41.6 | Very low | 39.7 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -101.1 | -15.2 | -173.5 | -124.8 | -88.6 | 0 | 0 | 0 | 114.3 | ||
| 23 | T | 41.9 | Very low | 40.2 | Very low | 107 Ų | 107 | 137 Ų | 137 | 66% | 0.656 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -80 | -26.4 | -175.6 | -50.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 24 | R | 40.5 | Very low | 40.6 | Very low | 208 Ų | 208 | 136.6 Ų | 136.6 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -82.7 | -29.5 | -172.9 | -164.3 | 173.2 | 177.6 | 168.7 | -0.4 | 113.4 | S27 | R24-S27 PolarHBondContact O-OG 2.94Å |
| 25 | Q | 39.8 | Very low | 40.9 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 56% | 0.556 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -76.5 | -32.7 | -176.7 | -144.2 | -174.7 | -26 | 0 | 0 | 110.3 | S27 D28 Y29 | Q25-S27 VanDerWaalsContact C-N 3.31Å; Q25-S27 PolarHBondContact O-N 3.25Å; Q25-D28 PolarHBondContact O-N 3.44Å; Q25-Y29 HydrophobicContact CB-CE1 4.28Å; Q25-Y29 WeakPolarHBondContact CB-OH 3.25Å; Q25-Y29 VanDerWaalsContact CD-OH 3.25Å; Q25-Y29 HydrophobicContact CG-CE1 3.7Å; Q25-Y29 WeakPolarHBondContact CG-OH 3.43Å; Q25-Y29 WeakPolarHBondContact O-CD1 3.23Å; Q25-Y29 VanDerWaalsContact O-CD2 3.24Å; Q25-Y29 WeakPolarHBondContact O-CD2 3.5Å; Q25-Y29 WeakPolarHBondContact O-CE1 3.31Å; Q25-Y29 WeakPolarHBondContact O-CE2 3.43Å |
| 26 | R | 40.8 | Very low | 41.6 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -58.6 | -32 | 176.3 | -157.6 | 169.9 | 178.4 | 151 | -2.1 | 115.8 | Y29 | R26-Y29 VanDerWaalsContact CA-CD2 3.47Å; R26-Y29 HydrophobicContact CB-CE2 4.16Å; R26-Y29 HydrophobicContact CG-CE2 4.42Å; R26-Y29 WeakPolarHBondContact O-CD2 3.35Å |
| 27 | S | 43.4 | Very low | 42.1 | Very low | 64 Ų | 64 | 133.3 Ų | 133.3 | 45% | 0.448 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -79.6 | -25 | -178.9 | 45.6 | 0 | 0 | 0 | 0 | 114.4 | R24 Q25 R31 | R24-S27 PolarHBondContact O-OG 2.94Å; Q25-S27 VanDerWaalsContact C-N 3.31Å; Q25-S27 PolarHBondContact O-N 3.25Å; S27-R31 PolarHBondContact O-N 3.11Å |
| 28 | D | 39.7 | Very low | 42.7 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 52% | 0.519 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -78 | -36 | -178.5 | -84.3 | -53 | 0 | 0 | 0 | 111.7 | Q25 E30 R31 E32 | Q25-D28 PolarHBondContact O-N 3.44Å; D28-E30 VanDerWaalsContact C-N 3.31Å; D28-E30 PolarHBondContact O-N 2.89Å; D28-R31 PolarHBondContact O-N 2.86Å; D28-E32 PolarHBondContact O-N 3.07Å |
| 29 | Y | 42.7 | Very low | 44 | Very low | 125 Ų | 125 | 129 Ų | 129 | 49% | 0.49 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -68.3 | -30.2 | 176.4 | -16.7 | -70.4 | 0 | 0 | 0 | 113.2 | Q25 R26 L33 | Q25-Y29 HydrophobicContact CB-CE1 4.28Å; Q25-Y29 WeakPolarHBondContact CB-OH 3.25Å; Q25-Y29 VanDerWaalsContact CD-OH 3.25Å; Q25-Y29 HydrophobicContact CG-CE1 3.7Å; Q25-Y29 WeakPolarHBondContact CG-OH 3.43Å; Q25-Y29 WeakPolarHBondContact O-CD1 3.23Å; Q25-Y29 VanDerWaalsContact O-CD2 3.24Å; Q25-Y29 WeakPolarHBondContact O-CD2 3.5Å; Q25-Y29 WeakPolarHBondContact O-CE1 3.31Å; Q25-Y29 WeakPolarHBondContact O-CE2 3.43Å; R26-Y29 VanDerWaalsContact CA-CD2 3.47Å; R26-Y29 HydrophobicContact CB-CE2 4.16Å; R26-Y29 HydrophobicContact CG-CE2 4.42Å; R26-Y29 WeakPolarHBondContact O-CD2 3.35Å; Y29-L33 PolarHBondContact O-N 3.07Å |
| 30 | E | 43.4 | Very low | 45.1 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 58% | 0.579 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.5 | -32.5 | 179.5 | -157.3 | -170.7 | 131.8 | 0 | 0 | 111.6 | D28 Q34 | D28-E30 VanDerWaalsContact C-N 3.31Å; D28-E30 PolarHBondContact O-N 2.89Å; E30-Q34 WeakPolarHBondContact O-CG 3.47Å |
| 31 | R | 44.4 | Very low | 45.8 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 65% | 0.653 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76.4 | -28.5 | 179 | -170.6 | 174 | -69.8 | -155.1 | -1.5 | 113 | S27 D28 H35 | S27-R31 PolarHBondContact O-N 3.11Å; D28-R31 PolarHBondContact O-N 2.86Å; R31-H35 PolarHBondContact O-ND1 3.39Å |
| 32 | E | 40.6 | Very low | 46.4 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 78% | 0.776 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -80 | -24.8 | 178.2 | -153.9 | 153.2 | 161.5 | 0 | 0 | 112.7 | D28 Q34 | D28-E32 PolarHBondContact O-N 3.07Å; E32-Q34 VanDerWaalsContact C-N 3.33Å |
| 33 | L | 45.1 | Very low | 47.1 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75 | -21.5 | 172.8 | -149.1 | 83.5 | 0 | 0 | 0 | 113.2 | Y29 H35 | Y29-L33 PolarHBondContact O-N 3.07Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 2.89Å |
| 34 | Q | 42.6 | Very low | 48.1 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -6.9 | -176.9 | -76.8 | 177.5 | -1.3 | 0 | 0 | 114.5 | E30 E32 | E30-Q34 WeakPolarHBondContact O-CG 3.47Å; E32-Q34 VanDerWaalsContact C-N 3.33Å |
| 35 | H | 41.8 | Very low | 49.1 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 71% | 0.708 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 13.7 | -177.5 | -68.1 | 103.8 | 0 | 0 | 0 | 115.2 | R31 L33 A37 | R31-H35 PolarHBondContact O-ND1 3.39Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 2.89Å; H35-A37 VanDerWaalsContact C-N 3.3Å; H35-A37 PolarHBondContact O-N 3.2Å |
| 36 | A | 48 | Very low | 49.9 | Very low | 79 Ų | 79 | 121.8 Ų | 121.8 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | trans | -75.7 | 86.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I38 | A36-I38 PolarHBondContact O-N 3.21Š| ||
| 37 | A | 50.8 | Low | 50.8 | Low | 87 Ų | 87 | 117.6 Ų | 117.6 | 72% | 0.719 | 61% | 0.608 | S | S | * | * | trans | -52.6 | 113.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | H35 L39 | H35-A37 VanDerWaalsContact C-N 3.3Å; H35-A37 PolarHBondContact O-N 3.2Å; A37-L39 PolarHBondContact O-N 2.83Å | ||
| 38 | I | 51.4 | Low | 51.3 | Low | 172 Ų | 172 | 124.1 Ų | 124.1 | 88% | 0.882 | 62% | 0.623 | S | S | * | * | trans | -70.2 | 101.6 | 178.1 | -58.1 | 172.5 | 0 | 0 | 0 | 107.3 | A36 | A36-I38 PolarHBondContact O-N 3.21Š| ||
| 39 | L | 61.1 | Low | 51.7 | Low | 76 Ų | 76 | 124.1 Ų | 124.1 | 40% | 0.398 | 63% | 0.631 | S | S | . | * | trans | -68.5 | 141.6 | 175.2 | -67.2 | 166.8 | 0 | 0 | 0 | 110 | A37 Q43 I44 I47 | A37-L39 PolarHBondContact O-N 2.83Å; L39-Q43 HydrophobicContact CB-CB 3.95Å; L39-Q43 HydrophobicContact CD2-CB 4.3Å; L39-Q43 HydrophobicContact CD2-CG 4.39Å; L39-Q43 VanDerWaalsContact CD2-NE2 3.33Å; L39-I44 HydrophobicContact CB-CG1 4.47Å; L39-I47 HydrophobicContact CD1-CD1 4.01Å | ||
| 40 | S | 60.3 | Low | 51.9 | Low | 66 Ų | 66 | 122.4 Ų | 122.4 | 46% | 0.462 | 64% | 0.637 | S | S | . | * | trans | -66.7 | 158.1 | 178.7 | 72.4 | 0 | 0 | 0 | 0 | 111.3 | E42 Q43 I44 | S40-E42 PolarHBondContact O-N 2.99Å; S40-Q43 WeakPolarHBondContact O-CB 3.3Å; S40-Q43 PolarHBondContact O-N 2.81Å; S40-I44 PolarHBondContact O-N 3.45Å | ||
| 41 | L | 57.4 | Low | 52.2 | Low | 142 Ų | 142 | 122.4 Ų | 122.4 | 74% | 0.743 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -59.3 | -22.9 | -176.5 | -137.7 | 140.2 | 0 | 0 | 0 | 113 | K45 | L41-K45 PolarHBondContact O-N 3.15Å |
| 42 | E | 57.6 | Low | 52.6 | Low | 162 Ų | 162 | 121.7 Ų | 121.7 | 76% | 0.757 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.5 | -38.5 | 172.1 | -69.9 | -132.7 | 123.2 | 0 | 0 | 113.2 | S40 I44 K45 A46 | S40-E42 PolarHBondContact O-N 2.99Å; E42-I44 VanDerWaalsContact C-N 3.32Å; E42-I44 PolarHBondContact O-N 3.28Å; E42-K45 PolarHBondContact O-N 3.27Å; E42-A46 PolarHBondContact O-N 3.47Å |
| 43 | Q | 56.3 | Low | 53 | Low | 92 Ų | 92 | 124.2 Ų | 124.2 | 43% | 0.43 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.6 | -35.5 | 175.1 | -80.3 | 174.7 | -56.6 | 0 | 0 | 111.8 | L39 S40 K45 A46 I47 | L39-Q43 HydrophobicContact CB-CB 3.95Å; L39-Q43 HydrophobicContact CD2-CB 4.3Å; L39-Q43 HydrophobicContact CD2-CG 4.39Å; L39-Q43 VanDerWaalsContact CD2-NE2 3.33Å; S40-Q43 WeakPolarHBondContact O-CB 3.3Å; S40-Q43 PolarHBondContact O-N 2.81Å; Q43-K45 VanDerWaalsContact C-N 3.3Å; Q43-K45 PolarHBondContact O-N 2.92Å; Q43-A46 PolarHBondContact O-N 3.26Å; Q43-I47 WeakPolarHBondContact O-CD1 3.29Å; Q43-I47 VanDerWaalsContact O-CG1 3.24Å; Q43-I47 WeakPolarHBondContact O-CG1 2.95Å; Q43-I47 PolarHBondContact O-N 3.41Å; Q43-I47 VanDerWaalsContact O-N 3.08Å |
| 44 | I | 63.4 | Low | 53 | Low | 86 Ų | 86 | 123.8 Ų | 123.8 | 44% | 0.441 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -67.3 | -32.8 | 175.8 | -59.5 | 169.8 | 0 | 0 | 0 | 111.1 | L39 S40 E42 R48 | L39-I44 HydrophobicContact CB-CG1 4.47Å; S40-I44 PolarHBondContact O-N 3.45Å; E42-I44 VanDerWaalsContact C-N 3.32Å; E42-I44 PolarHBondContact O-N 3.28Å; I44-R48 PolarHBondContact O-N 3.4Å |
| 45 | K | 60.1 | Low | 53.3 | Low | 153 Ų | 153 | 125 Ų | 125 | 67% | 0.665 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.2 | -41.5 | 173.3 | -100.1 | -178.6 | 175.5 | 179.3 | 0 | 112.5 | L41 E42 Q43 R48 S49 | L41-K45 PolarHBondContact O-N 3.15Å; E42-K45 PolarHBondContact O-N 3.27Å; Q43-K45 VanDerWaalsContact C-N 3.3Å; Q43-K45 PolarHBondContact O-N 2.92Å; K45-R48 PolarHBondContact O-N 3.4Å; K45-S49 PolarHBondContact O-N 3.49Å; K45-S49 PolarHBondContact O-OG 3.28Å |
| 46 | A | 58.1 | Low | 53.2 | Low | 57 Ų | 57 | 120.3 Ų | 120.3 | 47% | 0.471 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -63.8 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E42 Q43 R48 S49 | E42-A46 PolarHBondContact O-N 3.47Å; Q43-A46 PolarHBondContact O-N 3.26Å; A46-R48 VanDerWaalsContact C-N 3.34Å; A46-R48 PolarHBondContact O-N 3.06Å; A46-S49 WeakPolarHBondContact CA-OG 3.31Å; A46-S49 PolarHBondContact O-N 3.42Å; A46-S49 PolarHBondContact O-OG 3.45Å |
| 47 | I | 57.9 | Low | 53 | Low | 108 Ų | 108 | 123.2 Ų | 123.2 | 55% | 0.554 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.2 | -29.1 | 179.1 | -62.8 | 163.8 | 0 | 0 | 0 | 111.9 | L39 Q43 S50 | L39-I47 HydrophobicContact CD1-CD1 4.01Å; Q43-I47 WeakPolarHBondContact O-CD1 3.29Å; Q43-I47 VanDerWaalsContact O-CG1 3.24Å; Q43-I47 WeakPolarHBondContact O-CG1 2.95Å; Q43-I47 PolarHBondContact O-N 3.41Å; Q43-I47 VanDerWaalsContact O-N 3.08Å; I47-S50 PolarHBondContact O-OG 3.16Å |
| 48 | R | 55.7 | Low | 52.4 | Low | 201 Ų | 201 | 124 Ų | 124 | 76% | 0.758 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -84.9 | -13.5 | 173.4 | -85.3 | -172.6 | 170.7 | 171.2 | -1.6 | 114.4 | I44 K45 A46 | I44-R48 PolarHBondContact O-N 3.4Å; K45-R48 PolarHBondContact O-N 3.4Å; A46-R48 VanDerWaalsContact C-N 3.34Å; A46-R48 PolarHBondContact O-N 3.06Å |
| 49 | S | 46.3 | Very low | 51.8 | Low | 97 Ų | 97 | 122.4 Ų | 122.4 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -84.7 | -15 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | K45 A46 N51 | K45-S49 PolarHBondContact O-N 3.49Å; K45-S49 PolarHBondContact O-OG 3.28Å; A46-S49 WeakPolarHBondContact CA-OG 3.31Å; A46-S49 PolarHBondContact O-N 3.42Å; A46-S49 PolarHBondContact O-OG 3.45Å; S49-N51 VanDerWaalsContact C-N 3.3Å; S49-N51 PolarHBondContact O-N 3.1Å |
| 50 | S | 46.8 | Very low | 50.6 | Low | 89 Ų | 89 | 123.7 Ų | 123.7 | 62% | 0.622 | 68% | 0.683 | S | S | * | * | trans | -92.1 | 58.4 | 173.1 | 68.3 | 0 | 0 | 0 | 0 | 111.3 | I47 E52 | I47-S50 PolarHBondContact O-OG 3.16Å; S50-E52 PolarHBondContact O-N 3.34Å | ||
| 51 | N | 51.1 | Low | 49.7 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 67% | 0.668 | 71% | 0.706 | S | S | * | * | trans | -93 | 75.1 | 165.4 | -75.6 | 11 | 0 | 0 | 0 | 108.4 | S49 Y53 | S49-N51 VanDerWaalsContact C-N 3.3Å; S49-N51 PolarHBondContact O-N 3.1Å; N51-Y53 PolarHBondContact O-N 3.03Å | ||
| 52 | E | 53.3 | Low | 48.7 | Very low | 157 Ų | 157 | 137 Ų | 137 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | -80.7 | 71 | 166.1 | -167.4 | 163.4 | 95.1 | 0 | 0 | 108.7 | S50 E55 | S50-E52 PolarHBondContact O-N 3.34Å; E52-E55 HydrophobicContact CG-CG 4.45Å | ||
| 53 | Y | 47.5 | Very low | 47.9 | Very low | 219 Ų | 219 | 135 Ų | 135 | 86% | 0.859 | 71% | 0.714 | S | S | * | * | trans | -127.9 | 70.6 | 176.5 | -96.6 | -89 | 0 | 0 | 0 | 109.6 | N51 | N51-Y53 PolarHBondContact O-N 3.03Š| ||
| 54 | T | 46.6 | Very low | 47.1 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 87% | 0.871 | 73% | 0.734 | S | S | * | * | trans | -153 | 7.2 | 158.6 | 8.5 | 0 | 0 | 0 | 0 | 116.5 | G56 | T54-G56 PolarHBondContact O-N 2.65Š| ||
| 55 | E | 47.1 | Very low | 45.9 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | trans | -103.9 | 82.3 | -179.9 | 34.3 | -161.6 | 110.4 | 0 | 0 | 112.8 | E52 | E52-E55 HydrophobicContact CG-CG 4.45Š| ||
| 56 | G | 41.4 | Very low | 45 | Very low | 54 Ų | 54 | 135.8 Ų | 135.8 | 56% | 0.557 | 76% | 0.757 | S | S | * | * | trans | -75.4 | 153 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T54 S58 | T54-G56 PolarHBondContact O-N 2.65Å; G56-S58 PolarHBondContact O-N 3.37Å | ||
| 57 | P | 42.8 | Very low | 43.9 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -76.4 | 113.3 | -162 | 31.4 | -32.7 | 0 | 0 | 0 | 110.7 | ||||
| 58 | S | 39.4 | Very low | 42.8 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -133.2 | 100.4 | 170.2 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | G56 | G56-S58 PolarHBondContact O-N 3.37Š| ||
| 59 | V | 37.2 | Very low | 41.9 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | 38.1 | 115.5 | 143.5 | -159.6 | 0 | 0 | 0 | 0 | 117.8 | R61 | V59-R61 PolarHBondContact O-N 3.24Š| ||
| 60 | A | 36.3 | Very low | 41.4 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -41.5 | 124.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 61 | R | 41.1 | Very low | 40.7 | Very low | 249 Ų | 249 | 149.3 Ų | 149.3 | 94% | 0.94 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 135.5 | 163 | -72.2 | -160.2 | 175 | -153.1 | 1.4 | 110.6 | V59 | V59-R61 PolarHBondContact O-N 3.24Š|
| 62 | R | 37.3 | Very low | 40.3 | Very low | 240 Ų | 240 | 148.7 Ų | 148.7 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 153.1 | -176.8 | -95.2 | -179.4 | -178.1 | 131 | 0.5 | 113.9 | ||
| 63 | P | 40.8 | Very low | 39.3 | Very low | 118 Ų | 118 | 150.6 Ų | 150.6 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 152.2 | 178.7 | -8.7 | 24.8 | 0 | 0 | 0 | 113.4 | ||
| 64 | P | 39.2 | Very low | 38.5 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 142.4 | 172.9 | 31.6 | -30.8 | 0 | 0 | 0 | 112.4 | ||
| 65 | A | 37.9 | Very low | 37.6 | Very low | 94 Ų | 94 | 148.7 Ų | 148.7 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 155.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 66 | P | 40.4 | Very low | 37 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 146.7 | -154.3 | 34.9 | -33 | 0 | 0 | 0 | 113.8 | ||
| 67 | R | 36.3 | Very low | 36.5 | Very low | 242 Ų | 242 | 153.6 Ų | 153.6 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -139.1 | 103.5 | 163.1 | -69.7 | -167.6 | -178.6 | 178.2 | 1.5 | 112.3 | ||||
| 68 | V | 34.1 | Very low | 35.9 | Very low | 141 Ų | 141 | 157.4 Ų | 157.4 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | 40.3 | 120 | 133.4 | -175.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 69 | A | 37.8 | Very low | 35.7 | Very low | 82 Ų | 82 | 157.5 Ų | 157.5 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | trans | -75.1 | 161.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 70 | P | 34.4 | Very low | 35.4 | Very low | 133 Ų | 133 | 158.9 Ų | 158.9 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | -127.1 | 149.4 | 119.3 | 0.8 | 20.7 | 0 | 0 | 0 | 114.7 | |||||
| 71 | R | 33.1 | Very low | 35.2 | Very low | 238 Ų | 238 | 162.9 Ų | 162.9 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -82 | -163.2 | 179.6 | -63.6 | 177.6 | 149.9 | 171.9 | -4.3 | 113.1 | ||||
| 72 | P | 41.6 | Very low | 35 | Very low | 113 Ų | 113 | 157.4 Ų | 157.4 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | -122.2 | 168.8 | -87.9 | 37.7 | -19.5 | 0 | 0 | 0 | 112.2 | |||||
| 73 | Q | 32.5 | Very low | 35 | Very low | 196 Ų | 196 | 152.8 Ų | 152.8 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -146.4 | 116.2 | 157.8 | -122.9 | 172.8 | 6.2 | 0 | 0 | 112.5 | ||||
| 74 | D | 30.3 | Very low | 34.8 | Very low | 141 Ų | 141 | 155.1 Ų | 155.1 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | -35.3 | 137.3 | 161.4 | -82.8 | -85.1 | 0 | 0 | 0 | 114.9 | ||||
| 75 | K | 29 | Very low | 34.6 | Very low | 180 Ų | 180 | 154.4 Ų | 154.4 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | 165.6 | 136.8 | 88.8 | -123.9 | 163.2 | -173.8 | -163.3 | 0 | 112.9 | |||||
| 76 | Q | 33.2 | Very low | 34.5 | Very low | 144 Ų | 144 | 156.7 Ų | 156.7 | 67% | 0.673 | 80% | 0.795 | S | S | * | * | trans | 80.3 | 89.2 | 143.4 | -146.1 | 89.2 | 30.2 | 0 | 0 | 120.1 | ||||
| 77 | E | 32.6 | Very low | 34.2 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -53.4 | 128.7 | 143.7 | -177.7 | -177.7 | 117.4 | 0 | 0 | 110.9 | ||||
| 78 | R | 30.2 | Very low | 34 | Very low | 219 Ų | 219 | 150 Ų | 150 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -149.2 | 121.7 | 158.1 | -143.9 | -176.2 | -175.5 | 103.4 | -0.1 | 111.9 | ||||
| 79 | T | 34 | Very low | 34 | Very low | 107 Ų | 107 | 150 Ų | 150 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | trans | -81 | 149.3 | 179.3 | 16.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 80 | H | 31.5 | Very low | 33.7 | Very low | 167 Ų | 167 | 151.6 Ų | 151.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 67.8 | 118.7 | 159.2 | -78.5 | -114.4 | 0 | 0 | 0 | 120.1 | ||||
| 81 | E | 31.9 | Very low | 33.6 | Very low | 187 Ų | 187 | 155 Ų | 155 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | -166.7 | 130.8 | 121.6 | 42.2 | -151.2 | 150.7 | 0 | 0 | 113.4 | |||||
| 82 | V | 37.8 | Very low | 33.6 | Very low | 134 Ų | 134 | 152.3 Ų | 152.3 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | trans | -76.9 | 116.4 | 177.5 | 170.2 | 0 | 0 | 0 | 0 | 108.5 | L84 | V82-L84 PolarHBondContact O-N 3.38Š| ||
| 83 | I | 36.3 | Very low | 33.1 | Very low | 143 Ų | 143 | 157.5 Ų | 157.5 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -80.6 | 107.6 | 173.7 | -58.5 | 173.2 | 0 | 0 | 0 | 108.7 | V85 | I83-V85 HydrophobicContact CG2-CG2 3.86Å; I83-V85 PolarHBondContact O-N 3.12Å; I83-V85 VanDerWaalsContact O-N 3.1Å | ||
| 84 | L | 36 | Very low | 33.1 | Very low | 167 Ų | 167 | 156.4 Ų | 156.4 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -66.7 | 97.5 | 160.2 | -84.7 | 153.4 | 0 | 0 | 0 | 108.4 | V82 N86 | V82-L84 PolarHBondContact O-N 3.38Å; L84-N86 PolarHBondContact O-N 2.8Å | ||
| 85 | V | 35.8 | Very low | 33.5 | Very low | 115 Ų | 115 | 155.1 Ų | 155.1 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | trans | -77.5 | 93.4 | 173.2 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | I83 V87 | I83-V85 HydrophobicContact CG2-CG2 3.86Å; I83-V85 PolarHBondContact O-N 3.12Å; I83-V85 VanDerWaalsContact O-N 3.1Å; V85-V87 HydrophobicContact CG1-CG2 3.5Å; V85-V87 VanDerWaalsContact CG1-CG2 3.5Å; V85-V87 PolarHBondContact O-N 3.48Å | ||
| 86 | N | 35.6 | Very low | 33.7 | Very low | 142 Ų | 142 | 152 Ų | 152 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -79.6 | 94.1 | 163.6 | -176.4 | 39.5 | 0 | 0 | 0 | 109 | L84 N88 | L84-N86 PolarHBondContact O-N 2.8Å; N86-N88 VanDerWaalsContact C-N 3.3Å; N86-N88 PolarHBondContact O-N 2.96Å; N86-N88 VanDerWaalsContact O-N 3.1Å | ||
| 87 | V | 34.7 | Very low | 33.6 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 65% | 0.648 | 77% | 0.767 | S | S | * | * | trans | -83.5 | 80.4 | 170.6 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | V85 N89 | V85-V87 HydrophobicContact CG1-CG2 3.5Å; V85-V87 VanDerWaalsContact CG1-CG2 3.5Å; V85-V87 PolarHBondContact O-N 3.48Å; V87-N89 PolarHBondContact O-N 3.37Å | ||
| 88 | N | 31.9 | Very low | 33.7 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 100.4 | 165.7 | -179.1 | 44 | 0 | 0 | 0 | 109 | N86 N90 | N86-N88 VanDerWaalsContact C-N 3.3Å; N86-N88 PolarHBondContact O-N 2.96Å; N86-N88 VanDerWaalsContact O-N 3.1Å; N88-N90 PolarHBondContact O-N 2.08Å | ||
| 89 | N | 33.1 | Very low | 33.9 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -91.1 | 93.2 | 167.8 | -98.1 | -43.1 | 0 | 0 | 0 | 108.8 | V87 | V87-N89 PolarHBondContact O-N 3.37Š| ||
| 90 | N | 32.2 | Very low | 33.9 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | trans | -100.2 | 110.4 | 166.8 | -174.3 | 6.1 | 0 | 0 | 0 | 109.1 | N88 E92 | N88-N90 PolarHBondContact O-N 2.08Å; N90-E92 PolarHBondContact OD1-N 3.47Å | ||
| 91 | Y | 32.6 | Very low | 33.9 | Very low | 205 Ų | 205 | 150.1 Ų | 150.1 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -139 | 88.9 | 155.6 | -95 | -79 | 0 | 0 | 0 | 107.6 | ||||
| 92 | E | 33 | Very low | 33.8 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -111.5 | 121.9 | 148.7 | -75.4 | -148.5 | 88.6 | 0 | 0 | 109.3 | N90 Q94 | N90-E92 PolarHBondContact OD1-N 3.47Å; E92-Q94 PolarHBondContact O-N 3.4Å | ||
| 93 | R | 31.7 | Very low | 33.4 | Very low | 222 Ų | 222 | 142.5 Ų | 142.5 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -79.2 | 111 | 163.9 | -67.5 | -167.8 | -150.8 | -92.8 | 2.7 | 107.6 | ||||
| 94 | Q | 32.4 | Very low | 33.1 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63 | 138.4 | 161.9 | -163.1 | 91.3 | 36.1 | 0 | 0 | 110.1 | E92 | E92-Q94 PolarHBondContact O-N 3.4Š|
| 95 | P | 38.6 | Very low | 32.8 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 131.6 | 145.8 | 8.1 | 10.8 | 0 | 0 | 0 | 109.7 | ||
| 96 | S | 32.7 | Very low | 32.8 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 131.3 | 176.2 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 97 | G | 31.2 | Very low | 32.7 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | -115.9 | 116.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 98 | H | 34.9 | Very low | 32.7 | Very low | 194 Ų | 194 | 136.1 Ų | 136.1 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -104.4 | 139.6 | 165.6 | -93.1 | -78.5 | 0 | 0 | 0 | 109.6 | ||||
| 99 | H | 34.7 | Very low | 32.8 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -66.6 | 146.3 | 177.6 | -75.5 | -66.2 | 0 | 0 | 0 | 114.2 | ||||
| 100 | H | 32.7 | Very low | 32.8 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 73% | 0.731 | 79% | 0.79 | S | S | * | * | 167.6 | 141.6 | 107.8 | -90.3 | -70.6 | 0 | 0 | 0 | 114.4 | |||||
| 101 | H | 32.6 | Very low | 32.8 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | 36.6 | 128 | 150.2 | -68.1 | -72.7 | 0 | 0 | 0 | 124.2 | ||||
| 102 | G | 30.2 | Very low | 32.8 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | 111 | 115.5 | 110.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 103 | G | 29.1 | Very low | 33.4 | Very low | 83 Ų | 83 | 125.2 Ų | 125.2 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | 101.5 | 108 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 104 | G | 30.5 | Very low | 33.4 | Very low | 81 Ų | 81 | 122 Ų | 122 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | 92.5 | 108.8 | 119.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 105 | G | 29.8 | Very low | 33.2 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 67.8 | 160.3 | 142 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 106 | V | 35.7 | Very low | 32.8 | Very low | 136 Ų | 136 | 122.2 Ų | 122.2 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | cis | -156.7 | 144.6 | 4.1 | -171.2 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 107 | V | 31.7 | Very low | 32.9 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | -36.5 | 149.3 | 157.9 | -70.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 108 | V | 35.5 | Very low | 33.6 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | 173.9 | 146.1 | 75.9 | 165.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 109 | V | 34.4 | Very low | 33.5 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -30.4 | 151.6 | 168 | -78.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 110 | A | 31.9 | Very low | 33.9 | Very low | 88 Ų | 88 | 121 Ų | 121 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -172.6 | 102.4 | 130.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 111 | S | 32.5 | Very low | 34.3 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | 63.6 | 116.5 | 93.8 | 67.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 112 | G | 32.5 | Very low | 34.1 | Very low | 73 Ų | 73 | 114.8 Ų | 114.8 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 130.6 | 148 | 144.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 113 | P | 46.4 | Very low | 34.3 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -121.9 | -176.3 | -141.7 | 27.3 | -4.6 | 0 | 0 | 0 | 114 | ||||
| 114 | Q | 30.7 | Very low | 34.4 | Very low | 154 Ų | 154 | 121.6 Ų | 121.6 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | 109.3 | 120.6 | 144.7 | -58 | -142.1 | 37.8 | 0 | 0 | 120.1 | ||||
| 115 | Y | 29.7 | Very low | 34.4 | Very low | 220 Ų | 220 | 128.9 Ų | 128.9 | 86% | 0.863 | 80% | 0.801 | S | S | * | * | trans | 75 | 127 | 137.2 | -84.7 | -108.5 | 0 | 0 | 0 | 122.1 | ||||
| 116 | G | 30.4 | Very low | 34.5 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 117.7 | 110.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 117 | G | 34.4 | Very low | 34.4 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | -65.8 | -172.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 118 | P | 45 | Very low | 34.4 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | cis | -144.2 | -178.2 | 20.4 | 41.2 | -20.4 | 0 | 0 | 0 | 116.2 | ||||
| 119 | R | 33.7 | Very low | 34.5 | Very low | 244 Ų | 244 | 131.8 Ų | 131.8 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | 67.3 | 139.1 | 148.6 | -79.6 | -179 | -178.8 | 157.4 | 2 | 122 | ||||
| 120 | A | 43.1 | Very low | 34.3 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -75.9 | 158.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 121 | P | 40.5 | Very low | 34.6 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -109 | 141.2 | 150.6 | 10.3 | 11.1 | 0 | 0 | 0 | 109.8 | ||||
| 122 | G | 28.8 | Very low | 34.8 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | 104.1 | 90.8 | 42.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 123 | L | 33.7 | Very low | 35 | Very low | 184 Ų | 184 | 130.1 Ų | 130.1 | 96% | 0.963 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 129.7 | -177.7 | -76 | 163.5 | 0 | 0 | 0 | 111.6 | ||
| 124 | S | 30.7 | Very low | 34.5 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 141.6 | 179.1 | -61.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 125 | R | 31.8 | Very low | 34.6 | Very low | 234 Ų | 234 | 128.2 Ų | 128.2 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 138.6 | 174.5 | -152.6 | -177.3 | -150.8 | 179.1 | 5.2 | 107.8 | ||
| 126 | S | 32.2 | Very low | 34.5 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | trans | -134 | 130.8 | 161.2 | -71 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 127 | T | 32.7 | Very low | 34.7 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -92.5 | 152.2 | 179.2 | 41.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 128 | S | 31.5 | Very low | 34.6 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -150.6 | 136.2 | 143.7 | 49 | 0 | 0 | 0 | 0 | 112 | ||||
| 129 | T | 38 | Very low | 34.1 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -84.3 | 167 | -179.5 | 46.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 130 | G | 29.3 | Very low | 34.1 | Very low | 65 Ų | 65 | 121 Ų | 121 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | cis | 174.7 | -177.6 | 6.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 131 | S | 39 | Very low | 33.5 | Very low | 130 Ų | 130 | 121 Ų | 121 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | 64.9 | 145.1 | 151.1 | -45.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 132 | A | 37.1 | Very low | 33 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | cis | -157.8 | 147.7 | 18.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 133 | A | 36.5 | Very low | 33.3 | Very low | 96 Ų | 96 | 121.7 Ų | 121.7 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | 69.1 | 138.1 | 105.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 134 | S | 35.2 | Very low | 33.6 | Very low | 104 Ų | 104 | 119.9 Ų | 119.9 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | cis | -164.9 | 158.9 | -3.7 | -65.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 135 | S | 33.1 | Very low | 33.7 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | 154 | 150.7 | 79 | -92.3 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 136 | G | 29 | Very low | 33.8 | Very low | 78 Ų | 78 | 115.2 Ų | 115.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 115.5 | 105.1 | 137.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 137 | S | 33.7 | Very low | 33.9 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -99.2 | 151.7 | 178.7 | -34.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 138 | N | 32.9 | Very low | 33.9 | Very low | 154 Ų | 154 | 119.1 Ų | 119.1 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -179.6 | 111.7 | 143.7 | 28 | 12.6 | 0 | 0 | 0 | 116.4 | ||||
| 139 | S | 34.3 | Very low | 33.9 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | 38.9 | 126.7 | 125 | -45.2 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 140 | S | 33.8 | Very low | 33.6 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | 63.4 | 126.9 | 124.5 | -50.6 | 0 | 0 | 0 | 0 | 125 | |||||
| 141 | A | 29.6 | Very low | 33.9 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | 163.7 | 115.1 | 132.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 142 | S | 30.1 | Very low | 34.1 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | 56 | 109.9 | 80.6 | -161.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 143 | S | 34.6 | Very low | 34.4 | Very low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | 164.6 | 139.1 | 117.6 | -167.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 144 | E | 40.6 | Very low | 34.2 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | trans | -49.9 | 150.3 | 161.4 | 58.7 | -118.1 | 57.3 | 0 | 0 | 115.2 | ||||
| 145 | Q | 32.7 | Very low | 34.2 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | 168.1 | 129.2 | 117.8 | -87.6 | 177.2 | 11.6 | 0 | 0 | 110 | |||||
| 146 | G | 33.9 | Very low | 34.6 | Very low | 73 Ų | 73 | 139.2 Ų | 139.2 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | trans | -78 | 178.2 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 147 | L | 34.5 | Very low | 34.6 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 94% | 0.942 | 81% | 0.813 | S | S | * | * | trans | -153.8 | 116.7 | 135.5 | -95.8 | 177.5 | 0 | 0 | 0 | 107.8 | ||||
| 148 | L | 33.6 | Very low | 34.5 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | trans | -68.1 | 142.5 | 172.4 | -61.5 | 166.3 | 0 | 0 | 0 | 109.2 | ||||
| 149 | T | 31 | Very low | 34.4 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 93% | 0.933 | 82% | 0.821 | S | S | * | * | trans | -137.8 | 130.6 | 138 | -67.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 150 | R | 31.7 | Very low | 34.4 | Very low | 228 Ų | 228 | 140 Ų | 140 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -108.8 | 135.2 | -151.7 | -165.2 | -178.5 | -174 | -174.6 | 2.5 | 107.6 | ||||
| 151 | S | 36 | Very low | 34.2 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | -56.6 | 152.7 | 167.6 | -39.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 152 | P | 42.1 | Very low | 34.4 | Very low | 122 Ų | 122 | 146 Ų | 146 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | trans | -93 | 159.8 | 163.8 | 22.4 | -8.2 | 0 | 0 | 0 | 113.1 | ||||
| 153 | P | 44.8 | Very low | 34.5 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | trans | -105.6 | 164.5 | -150.5 | 38.7 | -31.7 | 0 | 0 | 0 | 115.6 | ||||
| 154 | M | 31.1 | Very low | 34.6 | Very low | 189 Ų | 189 | 154 Ų | 154 | 93% | 0.931 | 84% | 0.838 | S | S | * | * | trans | -69.7 | 153 | 164.3 | -79.3 | -174.8 | -167.7 | 0 | 0 | 112.9 | ||||
| 155 | R | 35.8 | Very low | 34.1 | Very low | 246 Ų | 246 | 158.3 Ų | 158.3 | 93% | 0.928 | 85% | 0.848 | S | S | * | * | trans | -135.8 | 157.2 | 147.4 | -101.9 | -162.9 | -169.9 | 172.8 | 5.2 | 112.1 | ||||
| 156 | P | 40.9 | Very low | 34 | Very low | 126 Ų | 126 | 153.8 Ų | 153.8 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | trans | -109.4 | 164.5 | -156.9 | 40 | -31.2 | 0 | 0 | 0 | 114.2 | ||||
| 157 | G | 29.4 | Very low | 34.1 | Very low | 64 Ų | 64 | 159.8 Ų | 159.8 | 66% | 0.66 | 85% | 0.85 | S | S | * | * | trans | 155.8 | 108.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 158 | V | 32 | Very low | 34.2 | Very low | 157 Ų | 157 | 158.6 Ų | 158.6 | 95% | 0.952 | 84% | 0.844 | S | S | * | * | trans | 60.2 | 124.6 | 143.2 | -72.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 159 | G | 29.2 | Very low | 34.3 | Very low | 80 Ų | 80 | 157.2 Ų | 157.2 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | 162.5 | 86.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 160 | L | 34.3 | Very low | 34.3 | Very low | 172 Ų | 172 | 157.6 Ų | 157.6 | 90% | 0.901 | 84% | 0.839 | S | S | * | * | trans | -66.3 | 134 | 165.9 | -148.3 | 96.6 | 0 | 0 | 0 | 109.1 | ||||
| 161 | Q | 31.5 | Very low | 34.4 | Very low | 177 Ų | 177 | 157.1 Ų | 157.1 | 83% | 0.827 | 84% | 0.837 | S | S | * | * | trans | 169.8 | 145.2 | 131.5 | -84.3 | -135.3 | 69.5 | 0 | 0 | 112.9 | ||||
| 162 | H | 32.6 | Very low | 34.2 | Very low | 166 Ų | 166 | 158.1 Ų | 158.1 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -35.7 | 145.1 | 177.9 | -81 | -151.4 | 0 | 0 | 0 | 116.5 | ||||
| 163 | H | 33.1 | Very low | 33.7 | Very low | 188 Ų | 188 | 159.1 Ų | 159.1 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | -165.1 | 121.6 | 121.8 | -96 | -67.3 | 0 | 0 | 0 | 111.7 | R165 | H163-R165 PolarHBondContact O-N 3.5Š| |||
| 164 | H | 36.3 | Very low | 33.2 | Very low | 195 Ų | 195 | 158.6 Ų | 158.6 | 90% | 0.903 | 83% | 0.83 | S | S | * | * | trans | -47.9 | 128.3 | 159.6 | -109.5 | -142.6 | 0 | 0 | 0 | 110.8 | ||||
| 165 | R | 30.1 | Very low | 33.1 | Very low | 237 Ų | 237 | 159.1 Ų | 159.1 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | trans | -146.3 | 110.7 | 159.3 | -161.9 | 174.1 | 174.2 | 96.4 | -0.1 | 110.7 | H163 | H163-R165 PolarHBondContact O-N 3.5Š| ||
| 166 | A | 31.1 | Very low | 32.9 | Very low | 89 Ų | 89 | 153.4 Ų | 153.4 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 131.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 167 | E | 34.3 | Very low | 32.5 | Very low | 198 Ų | 198 | 157.3 Ų | 157.3 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 120.2 | 168.4 | -85.9 | -158.4 | 99.9 | 0 | 0 | 110.3 | ||
| 168 | L | 37.6 | Very low | 32.3 | Very low | 155 Ų | 155 | 161.6 Ų | 161.6 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 136.7 | 167.8 | -78.2 | 161 | 0 | 0 | 0 | 108.7 | ||
| 169 | P | 35.8 | Very low | 32.2 | Very low | 127 Ų | 127 | 162.4 Ų | 162.4 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 138.6 | 178.7 | -20.4 | 31.7 | 0 | 0 | 0 | 113.6 | R171 | P169-R171 PolarHBondContact O-N 3.45Š|
| 170 | I | 31 | Very low | 32.2 | Very low | 160 Ų | 160 | 164.2 Ų | 164.2 | 82% | 0.821 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66 | 122.4 | -177.4 | -64.3 | 165.2 | 0 | 0 | 0 | 111 | T172 | I170-T172 HydrophobicContact CG2-CG2 4.39Š|
| 171 | R | 33.6 | Very low | 32 | Very low | 218 Ų | 218 | 164.1 Ų | 164.1 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | -95.1 | 110.7 | 172.7 | -178 | 170.3 | -179.8 | 137.3 | -3.4 | 109.5 | P169 | P169-R171 PolarHBondContact O-N 3.45Š| ||
| 172 | T | 32.1 | Very low | 32.4 | Very low | 131 Ų | 131 | 160.8 Ų | 160.8 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -91.3 | 106.9 | 168.7 | 45.7 | 0 | 0 | 0 | 0 | 109.7 | I170 | I170-T172 HydrophobicContact CG2-CG2 4.39Š| ||
| 173 | Q | 31.6 | Very low | 32.1 | Very low | 143 Ų | 143 | 159.7 Ų | 159.7 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | trans | -129.7 | 122.6 | 168.5 | -102.3 | -84.5 | 7.9 | 0 | 0 | 107.2 | ||||
| 174 | P | 33.6 | Very low | 32 | Very low | 113 Ų | 113 | 158.7 Ų | 158.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 134.7 | 178.6 | 28.5 | -29 | 0 | 0 | 0 | 111.7 | ||
| 175 | K | 29.6 | Very low | 31.6 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 131 | 179.1 | -110.7 | 153.1 | 172.9 | 164.4 | 0 | 111.6 | ||
| 176 | P | 31.9 | Very low | 32.1 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 131.6 | 163.5 | 29.1 | -29.2 | 0 | 0 | 0 | 110.9 | ||
| 177 | K | 31.4 | Very low | 32 | Very low | 208 Ų | 208 | 152 Ų | 152 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 126.8 | 173.1 | -74.2 | -178.8 | 177.6 | 177.1 | 0 | 109.7 | ||
| 178 | L | 25.9 | Very low | 31.7 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 131 | 169.3 | -167.6 | 86.7 | 0 | 0 | 0 | 109.3 | L180 | L178-L180 HydrophobicContact CD1-CD1 4.18Å; L178-L180 HydrophobicContact CD2-CD1 3.46Å; L178-L180 VanDerWaalsContact CD2-CD1 3.46Å; L178-L180 HydrophobicContact CG-CD1 3.75Å |
| 179 | L | 29 | Very low | 31.2 | Very low | 174 Ų | 174 | 150.9 Ų | 150.9 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -124.7 | 117 | 166.5 | -134.6 | 159.3 | 0 | 0 | 0 | 106.8 | ||||
| 180 | L | 29 | Very low | 30.8 | Very low | 119 Ų | 119 | 153.5 Ų | 153.5 | 62% | 0.623 | 79% | 0.79 | S | S | * | * | trans | -107.6 | 153.1 | 175.3 | -108.6 | 103.9 | 0 | 0 | 0 | 110.5 | L178 | L178-L180 HydrophobicContact CD1-CD1 4.18Å; L178-L180 HydrophobicContact CD2-CD1 3.46Å; L178-L180 VanDerWaalsContact CD2-CD1 3.46Å; L178-L180 HydrophobicContact CG-CD1 3.75Å | ||
| 181 | Q | 31.1 | Very low | 31.7 | Very low | 169 Ų | 169 | 150.9 Ų | 150.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 114.2 | 156 | 140.9 | -133.7 | 138.4 | 88.1 | 0 | 0 | 116.3 | ||||
| 182 | P | 38.9 | Very low | 31.8 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | -140.7 | -174 | -83.5 | 44.6 | -26.7 | 0 | 0 | 0 | 113.9 | |||||
| 183 | Q | 28.1 | Very low | 32.5 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | 130.9 | 116.9 | 145.5 | -82 | -132.5 | -55.2 | 0 | 0 | 117.1 | ||||
| 184 | Q | 29.5 | Very low | 32.4 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | 97.3 | 133.7 | 116.7 | -80.7 | 173.6 | -19.5 | 0 | 0 | 111.8 | |||||
| 185 | G | 27.8 | Very low | 32.5 | Very low | 73 Ų | 73 | 146.7 Ų | 146.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | cis | -178.9 | 174.6 | 3.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 186 | P | 42.3 | Very low | 33 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -107.1 | 154.6 | -158.2 | 37.8 | -29.9 | 0 | 0 | 0 | 115.3 | ||||
| 187 | H | 28.6 | Very low | 32.9 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -158.4 | 141.3 | 155 | -134.7 | -96.2 | 0 | 0 | 0 | 114.8 | ||||
| 188 | L | 27.7 | Very low | 32.9 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -73.4 | 153.5 | -174.2 | -67.5 | 111.2 | 0 | 0 | 0 | 114.9 | ||||
| 189 | H | 27.2 | Very low | 33.2 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | -173.3 | 146 | 122.6 | -99.7 | 79.9 | 0 | 0 | 0 | 112 | |||||
| 190 | Q | 26.8 | Very low | 33.5 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -116.9 | -173.9 | -171.2 | -142.8 | -165.8 | 56.8 | 0 | 0 | 110.5 | ||||
| 191 | P | 49.3 | Very low | 34.2 | Very low | 104 Ų | 104 | 141 Ų | 141 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | -97.9 | -173.4 | -116 | 43.1 | -26.8 | 0 | 0 | 0 | 115.6 | |||||
| 192 | P | 36 | Very low | 34.4 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -149.7 | 174.8 | 88.8 | 36.9 | -15 | 0 | 0 | 0 | 116 | |||||
| 193 | P | 47.9 | Very low | 34.1 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -95.6 | 174.3 | -168.7 | 37.9 | -29.1 | 0 | 0 | 0 | 113.2 | ||||
| 194 | E | 29.2 | Very low | 34.7 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | 160.5 | 147.6 | 139 | -70.3 | -117.7 | 99.7 | 0 | 0 | 110.8 | ||||
| 195 | A | 34.3 | Very low | 35.1 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -86.9 | -150.7 | -160.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 196 | P | 41.6 | Very low | 35.7 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | -120.9 | 134.9 | -73.2 | 26.2 | -8.6 | 0 | 0 | 0 | 112.4 | |||||
| 197 | L | 29.9 | Very low | 35.6 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | trans | -135.6 | 137.8 | 171.4 | -74.6 | 167.9 | 0 | 0 | 0 | 113.2 | ||||
| 198 | K | 30.5 | Very low | 36 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -53.8 | 158 | -170.9 | -79.6 | 167.5 | 175.5 | 175.4 | 0 | 115.8 | ||||
| 199 | P | 32.8 | Very low | 36.7 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -74.9 | 139.2 | -175.5 | 30.2 | -34.5 | 0 | 0 | 0 | 112.7 | T201 | P199-T201 PolarHBondContact O-N 3.02Š| ||
| 200 | P | 34.8 | Very low | 37.3 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -79.1 | 113.5 | 155.6 | 30.4 | -27.1 | 0 | 0 | 0 | 108.6 | ||||
| 201 | T | 43.1 | Very low | 37.8 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -42.6 | 139.7 | 159.2 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | P199 | P199-T201 PolarHBondContact O-N 3.02Š| ||
| 202 | K | 36.8 | Very low | 37.6 | Very low | 214 Ų | 214 | 124.6 Ų | 124.6 | 93% | 0.93 | 75% | 0.748 | S | S | * | * | 149.5 | 109.8 | 128.8 | -166.1 | 171.8 | -168.6 | 179.3 | 0 | 111.4 | |||||
| 203 | G | 31.8 | Very low | 38.3 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | 165.6 | 68.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S205 | G203-S205 PolarHBondContact O-N 3.34Š| ||
| 204 | K | 40 | Very low | 38.7 | Very low | 172 Ų | 172 | 119.7 Ų | 119.7 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -53.9 | 119.5 | 172.5 | -85.7 | 172.3 | 169.3 | 175.3 | 0 | 110.5 | F207 | K204-F207 HydrophobicContact CB-CE2 4.35Š| ||
| 205 | S | 39.1 | Very low | 40.5 | Very low | 110 Ų | 110 | 112.2 Ų | 112.2 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | -117.9 | 55.4 | 154.1 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | G203 | G203-S205 PolarHBondContact O-N 3.34Š| ||
| 206 | D | 38.9 | Very low | 42.6 | Very low | 120 Ų | 120 | 111.6 Ų | 111.6 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | trans | -92.4 | 25.9 | 162.3 | -65.8 | -50.7 | 0 | 0 | 0 | 111.2 | G208 | D206-G208 VanDerWaalsContact C-N 3.32Å; D206-G208 PolarHBondContact O-N 3.15Å | ||
| 207 | F | 41 | Very low | 44.6 | Very low | 159 Ų | 159 | 108.7 Ų | 108.7 | 70% | 0.697 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -3.9 | -174.9 | -80.6 | -80.8 | 0 | 0 | 0 | 114.4 | K204 | K204-F207 HydrophobicContact CB-CE2 4.35Š|
| 208 | G | 37 | Very low | 47.3 | Very low | 71 Ų | 71 | 105 Ų | 105 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -22.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D206 | D206-G208 VanDerWaalsContact C-N 3.32Å; D206-G208 PolarHBondContact O-N 3.15Å |
| 209 | V | 42.4 | Very low | 50.1 | Low | 123 Ų | 123 | 97.5 Ų | 97.5 | 75% | 0.745 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -26.1 | -173.5 | -174 | 0 | 0 | 0 | 0 | 111.9 | ||
| 210 | A | 39.4 | Very low | 52.8 | Low | 62 Ų | 62 | 92.1 Ų | 92.1 | 51% | 0.512 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -81.3 | -25.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A213 | A210-A213 PolarHBondContact O-N 3.12Å |
| 211 | A | 38.7 | Very low | 55.3 | Low | 76 Ų | 76 | 91.8 Ų | 91.8 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.2 | -29.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A213 | A211-A213 VanDerWaalsContact C-N 3.34Å |
| 212 | A | 44.7 | Very low | 57.4 | Low | 58 Ų | 58 | 93.7 Ų | 93.7 | 48% | 0.479 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.9 | -30.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H216 | A212-H216 PolarHBondContact O-CD2 2.88Å; A212-H216 PolarHBondContact O-NE2 3.36Å |
| 213 | A | 50.6 | Low | 59.8 | Low | 70 Ų | 70 | 86 Ų | 86 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74.2 | -24.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A210 A211 | A210-A213 PolarHBondContact O-N 3.12Å; A211-A213 VanDerWaalsContact C-N 3.34Å |
| 214 | A | 55.9 | Low | 62.3 | Low | 58 Ų | 58 | 85 Ų | 85 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79.4 | -24.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q217 | A214-Q217 PolarHBondContact O-NE2 2.9Å |
| 215 | G | 66.9 | Low | 64.7 | Low | 37 Ų | 37 | 81.4 Ų | 81.4 | 38% | 0.381 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -85.9 | -12.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q217 C228 | G215-Q217 PolarHBondContact O-N 2.88Å; G215-C228 VanDerWaalsContact O-CB 3.29Å; G215-C228 WeakPolarHBondContact O-CB 3.15Å |
| 216 | H | 79.3 | Confident | 67.1 | Low | 78 Ų | 78 | 77 Ų | 77 | 36% | 0.361 | 47% | 0.466 | S | S | . | . | trans | -98.4 | 26.4 | -170.9 | -64.1 | -37.4 | 0 | 0 | 0 | 114.9 | A212 F218 I219 C226 C228 C231 | A212-H216 PolarHBondContact O-CD2 2.88Å; A212-H216 PolarHBondContact O-NE2 3.36Å; H216-F218 PolarHBondContact O-N 2.84Å; H216-I219 WeakPolarHBondContact O-CD1 3.45Å; H216-C226 VanDerWaalsContact CA-SG 3.51Å; H216-C228 PolarHBondContact CE1-SG 2.86Å; H216-C228 PolarHBondContact ND1-SG 2.73Å; H216-C231 PolarHBondContact CE1-SG 3.29Å; H216-C231 PolarHBondContact ND1-SG 2.78Å | ||
| 217 | Q | 82.6 | Confident | 69.5 | Low | 56 Ų | 56 | 73.8 Ų | 73.8 | 26% | 0.262 | 45% | 0.446 | S | S | . | . | trans | -80.1 | -17.8 | -171.4 | -65.6 | 170.6 | -7.2 | 0 | 0 | 114.3 | A214 G215 I219 Y343 C344 | A214-Q217 PolarHBondContact O-NE2 2.9Å; G215-Q217 PolarHBondContact O-N 2.88Å; Q217-I219 PolarHBondContact O-N 3.15Å; Q217-Y343 HydrophobicContact CB-CD2 3.96Å; Q217-Y343 HydrophobicContact CB-CE2 3.6Å; Q217-Y343 VanDerWaalsContact CD-OH 3.28Å; Q217-Y343 HydrophobicContact CG-CE2 4.25Å; Q217-Y343 CarbonylContact O-C 3.6Å; Q217-Y343 WeakPolarHBondContact O-CA 3.44Å; Q217-Y343 PolarHBondContact OE1-OH 3.48Å; Q217-C344 PolarHBondContact O-N 3.24Å | ||
| 218 | F | 85.9 | Confident | 71.7 | Confident | 106 Ų | 106 | 66.7 Ų | 66.7 | 47% | 0.465 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 102.5 | -178.3 | -64.9 | -74.1 | 0 | 0 | 0 | 110.7 | H216 C226 K227 T341 Y343 | H216-F218 PolarHBondContact O-N 2.84Å; F218-C226 CarbonylContact O-C 3.49Å; F218-C226 VanDerWaalsContact O-CA 3.31Å; F218-C226 WeakPolarHBondContact O-CA 3.33Å; F218-C226 PolarHBondContact O-SG 3.28Å; F218-C226 VanDerWaalsContact O-SG 3.4Å; F218-K227 HydrophobicContact CB-CB 4.19Å; F218-K227 PolarHBondContact O-N 3.49Å; F218-T341 HydrophobicContact CB-CG2 3.63Å; F218-T341 HydrophobicContact CD1-CG2 3.89Å; F218-T341 HydrophobicContact CG-CG2 4.25Å; F218-Y343 HydrophobicContact CE1-CD2 4.24Å |
| 219 | I | 89.4 | Confident | 73.8 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 18% | 0.179 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 139 | -177.4 | -55.4 | -54.9 | 0 | 0 | 0 | 110.8 | H216 Q217 G224 C226 T341 V342 C344 | H216-I219 WeakPolarHBondContact O-CD1 3.45Å; Q217-I219 PolarHBondContact O-N 3.15Å; I219-G224 VanDerWaalsContact CG2-C 3.44Å; I219-G224 VanDerWaalsContact CG2-O 3.23Å; I219-G224 WeakPolarHBondContact CG2-O 3.12Å; I219-C226 HydrophobicContact CD1-CB 3.8Å; I219-T341 CarbonylContact O-C 3.46Å; I219-T341 WeakPolarHBondContact O-CA 3.31Å; I219-V342 PolarHBondContact N-O 2.63Å; I219-V342 PolarHBondContact O-N 3.38Å; I219-C344 HydrophobicContact CG1-CB 4.15Å; I219-C344 VanDerWaalsContact CG1-SG 3.52Å |
| 220 | C | 90.1 | Very high | 75.8 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.007 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126.2 | 176.3 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | R222 C223 G224 K225 K227 C334 S339 | C220-R222 VanDerWaalsContact C-N 3.3Å; C220-R222 PolarHBondContact O-N 3.47Å; C220-R222 PolarHBondContact SG-N 3.2Å; C220-R222 VanDerWaalsContact SG-N 3.4Å; C220-C223 VanDerWaalsContact CB-SG 3.59Å; C220-C223 PolarHBondContact O-N 3.44Å; C220-C223 PolarHBondContact SG-SG 3.14Å; C220-G224 VanDerWaalsContact O-CA 3.31Å; C220-G224 WeakPolarHBondContact O-CA 3.41Å; C220-G224 PolarHBondContact O-N 2.77Å; C220-K225 WeakPolarHBondContact CB-O 3.33Å; C220-K225 PolarHBondContact N-O 3.33Å; C220-K227 HydrophobicContact CB-CD 4.44Å; C220-K227 HydrophobicContact CB-CG 4.41Å; C220-C334 HydrophobicContact CB-CB 3.7Å; C220-C334 WeakPolarHBondContact CB-SG 3.33Å; C220-C334 PolarHBondContact SG-SG 3.49Å; C220-S339 WeakPolarHBondContact SG-CB 3.36Å; C220-S339 PolarHBondContact SG-OG 3.4Å |
| 221 | E | 88.3 | Confident | 78 | Confident | 117 Ų | 117 | 63.7 Ų | 63.7 | 55% | 0.547 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -36.7 | 176.5 | -73.9 | -178.5 | -175.7 | 0 | 0 | 113.6 | N340 V342 | E221-N340 HydrophobicContact CG-CB 4.28Å; E221-N340 PolarHBondContact N-O 3.29Å; E221-N340 VanDerWaalsContact N-O 3.15Å; E221-N340 VanDerWaalsContact OE2-CB 3.25Å; E221-N340 WeakPolarHBondContact OE2-CB 3.39Å; E221-V342 HydrophobicContact CB-CG2 4.4Å; E221-V342 HydrophobicContact CG-CG2 3.11Å; E221-V342 WeakPolarHBondContact OE1-CG2 3.3Å |
| 222 | R | 87 | Confident | 80.2 | Confident | 171 Ų | 171 | 62.2 Ų | 62.2 | 65% | 0.645 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -30.8 | -176.5 | -60.9 | -170.6 | -154.7 | -154.9 | 2 | 115.1 | C220 N338 | C220-R222 VanDerWaalsContact C-N 3.3Å; C220-R222 PolarHBondContact O-N 3.47Å; C220-R222 PolarHBondContact SG-N 3.2Å; C220-R222 VanDerWaalsContact SG-N 3.4Å; R222-N338 VanDerWaalsContact NH2-C 3.31Å; R222-N338 PolarHBondContact NH2-O 2.95Å |
| 223 | C | 87.8 | Confident | 82 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | -0.1 | -170.9 | 69.5 | 0 | 0 | 0 | 0 | 114.4 | C220 K225 | C220-C223 VanDerWaalsContact CB-SG 3.59Å; C220-C223 PolarHBondContact O-N 3.44Å; C220-C223 PolarHBondContact SG-SG 3.14Å; C223-K225 PolarHBondContact O-N 3.25Å |
| 224 | G | 84 | Confident | 83.3 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 55% | 0.546 | 36% | 0.355 | S | S | . | . | trans | 65 | 3.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I219 C220 | I219-G224 VanDerWaalsContact CG2-C 3.44Å; I219-G224 VanDerWaalsContact CG2-O 3.23Å; I219-G224 WeakPolarHBondContact CG2-O 3.12Å; C220-G224 VanDerWaalsContact O-CA 3.31Å; C220-G224 WeakPolarHBondContact O-CA 3.41Å; C220-G224 PolarHBondContact O-N 2.77Å | ||
| 225 | K | 89 | Confident | 84.5 | Confident | 96 Ų | 96 | 64.5 Ų | 64.5 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | trans | -87.4 | 148.5 | -179 | -62.6 | -171.7 | 176.1 | -164.1 | 0 | 112.1 | C220 C223 G333 C334 | C220-K225 WeakPolarHBondContact CB-O 3.33Å; C220-K225 PolarHBondContact N-O 3.33Å; C223-K225 PolarHBondContact O-N 3.25Å; K225-G333 WeakPolarHBondContact CD-O 3.33Å; K225-C334 HydrophobicContact CB-CB 4.03Å | ||
| 226 | C | 90.5 | Very high | 84.9 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -68.3 | 142.9 | 178.1 | -168.4 | 0 | 0 | 0 | 0 | 112.5 | H216 F218 I219 C228 C231 G333 C334 | H216-C226 VanDerWaalsContact CA-SG 3.51Å; F218-C226 CarbonylContact O-C 3.49Å; F218-C226 VanDerWaalsContact O-CA 3.31Å; F218-C226 WeakPolarHBondContact O-CA 3.33Å; F218-C226 PolarHBondContact O-SG 3.28Å; F218-C226 VanDerWaalsContact O-SG 3.4Å; I219-C226 HydrophobicContact CD1-CB 3.8Å; C226-C228 PolarHBondContact SG-N 2.89Å; C226-C231 HydrophobicContact CB-CB 4.11Å; C226-C231 VanDerWaalsContact CB-SG 3.54Å; C226-C231 PolarHBondContact SG-SG 3.44Å; C226-G333 CarbonylContact O-C 3.49Å; C226-G333 WeakPolarHBondContact O-CA 3.15Å; C226-C334 PolarHBondContact O-N 3.47Å |
| 227 | K | 88.6 | Confident | 84.6 | Confident | 52 Ų | 52 | 65.5 Ų | 65.5 | 23% | 0.226 | 36% | 0.356 | C | S | . | . | trans | -104.5 | 8.3 | 178.9 | -77.5 | -178 | 172.8 | -165.4 | 0 | 113.5 | F218 C220 C334 S339 T341 | F218-K227 HydrophobicContact CB-CB 4.19Å; F218-K227 PolarHBondContact O-N 3.49Å; C220-K227 HydrophobicContact CB-CD 4.44Å; C220-K227 HydrophobicContact CB-CG 4.41Å; K227-C334 HydrophobicContact CG-CB 3.62Å; K227-S339 WeakPolarHBondContact CE-OG 3.3Å; K227-S339 PolarHBondContact NZ-O 2.67Å; K227-S339 PolarHBondContact NZ-OG 2.87Å; K227-T341 HydrophobicContact CD-CG2 3.89Å; K227-T341 WeakPolarHBondContact CD-OG1 3.38Å; K227-T341 PolarHBondContact NZ-OG1 3.15Å | ||
| 228 | C | 87.4 | Confident | 84 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -57.4 | 153.4 | 176.8 | 90.1 | 0 | 0 | 0 | 0 | 111.7 | G215 H216 C226 D230 C231 T232 | G215-C228 VanDerWaalsContact O-CB 3.29Å; G215-C228 WeakPolarHBondContact O-CB 3.15Å; H216-C228 PolarHBondContact CE1-SG 2.86Å; H216-C228 PolarHBondContact ND1-SG 2.73Å; C226-C228 PolarHBondContact SG-N 2.89Å; C228-D230 PolarHBondContact O-N 2.87Å; C228-C231 HydrophobicContact CB-CB 4.21Å; C228-C231 WeakPolarHBondContact CB-SG 3.24Å; C228-C231 WeakPolarHBondContact O-CB 3Å; C228-C231 PolarHBondContact O-N 3.38Å; C228-C231 VanDerWaalsContact O-N 3.16Å; C228-C231 WeakPolarHBondContact SG-CB 3.11Å; C228-C231 PolarHBondContact SG-N 3.03Å; C228-C231 CovalentContact SG-SG 2.08Å; C228-C231 PolarHBondContact SG-SG 2.9Å; C228-T232 WeakPolarHBondContact O-CB 3.31Å; C228-T232 WeakPolarHBondContact O-CG2 3.15Å; C228-T232 PolarHBondContact O-N 3.45Å; C228-T232 PolarHBondContact O-OG1 3.36Å |
| 229 | S | 82 | Confident | 83.4 | Confident | 87 Ų | 87 | 65.8 Ų | 65.8 | 61% | 0.608 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -55.1 | -40 | 177.2 | 47.6 | 0 | 0 | 0 | 0 | 111.9 | C231 T232 A233 | S229-C231 VanDerWaalsContact C-N 3.34Å; S229-C231 PolarHBondContact O-N 2.78Å; S229-T232 CarbonylContact O-C 3.56Å; S229-T232 PolarHBondContact O-N 3.03Å; S229-T232 PolarHBondContact O-OG1 2.84Å; S229-A233 WeakPolarHBondContact O-CA 3.03Å; S229-A233 VanDerWaalsContact O-CB 3.25Å; S229-A233 WeakPolarHBondContact O-CB 3.03Å; S229-A233 PolarHBondContact O-N 3.16Å |
| 230 | D | 84.6 | Confident | 82 | Confident | 99 Ų | 99 | 68 Ų | 68 | 53% | 0.529 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.5 | -30.9 | -177.5 | -50.3 | -38.3 | 0 | 0 | 0 | 112.6 | C228 R235 | C228-D230 PolarHBondContact O-N 2.87Å; D230-R235 PolarHBondContact O-NH2 3.42Å |
| 231 | C | 84.8 | Confident | 80.5 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 5% | 0.047 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -76.8 | -38.7 | 179.6 | -49.2 | 0 | 0 | 0 | 0 | 110.6 | H216 C226 C228 S229 R331 G333 | H216-C231 PolarHBondContact CE1-SG 3.29Å; H216-C231 PolarHBondContact ND1-SG 2.78Å; C226-C231 HydrophobicContact CB-CB 4.11Å; C226-C231 VanDerWaalsContact CB-SG 3.54Å; C226-C231 PolarHBondContact SG-SG 3.44Å; C228-C231 HydrophobicContact CB-CB 4.21Å; C228-C231 WeakPolarHBondContact CB-SG 3.24Å; C228-C231 WeakPolarHBondContact O-CB 3Å; C228-C231 PolarHBondContact O-N 3.38Å; C228-C231 VanDerWaalsContact O-N 3.16Å; C228-C231 WeakPolarHBondContact SG-CB 3.11Å; C228-C231 PolarHBondContact SG-N 3.03Å; C228-C231 CovalentContact SG-SG 2.08Å; C228-C231 PolarHBondContact SG-SG 2.9Å; S229-C231 VanDerWaalsContact C-N 3.34Å; S229-C231 PolarHBondContact O-N 2.78Å; C231-R331 WeakPolarHBondContact O-CG 3.45Å; C231-G333 VanDerWaalsContact O-CA 3.22Å; C231-G333 WeakPolarHBondContact O-CA 3.38Å; C231-G333 PolarHBondContact O-N 3.45Å |
| 232 | T | 84.3 | Confident | 79.2 | Confident | 46 Ų | 46 | 69 Ų | 69 | 28% | 0.282 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -94 | -5.7 | -177.7 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | C228 S229 R331 | C228-T232 WeakPolarHBondContact O-CB 3.31Å; C228-T232 WeakPolarHBondContact O-CG2 3.15Å; C228-T232 PolarHBondContact O-N 3.45Å; C228-T232 PolarHBondContact O-OG1 3.36Å; S229-T232 CarbonylContact O-C 3.56Å; S229-T232 PolarHBondContact O-N 3.03Å; S229-T232 PolarHBondContact O-OG1 2.84Å; T232-R331 PolarHBondContact O-NE 3.23Å; T232-R331 PolarHBondContact O-NH2 3.25Å |
| 233 | A | 83.5 | Confident | 77.8 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 31% | 0.314 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -62 | 140.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S229 R331 | S229-A233 WeakPolarHBondContact O-CA 3.03Å; S229-A233 VanDerWaalsContact O-CB 3.25Å; S229-A233 WeakPolarHBondContact O-CB 3.03Å; S229-A233 PolarHBondContact O-N 3.16Å; A233-R331 VanDerWaalsContact C-NH2 3.34Å; A233-R331 PolarHBondContact O-NE 3.28Å |
| 234 | P | 78.5 | Confident | 76.7 | Confident | 95 Ų | 95 | 70.3 Ų | 70.3 | 62% | 0.617 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 135.7 | 174.3 | -14.9 | 26.4 | 0 | 0 | 0 | 110.2 | D327 R331 | P234-D327 VanDerWaalsContact CA-OD1 3.24Å; P234-D327 WeakPolarHBondContact CA-OD1 3.46Å; P234-R331 VanDerWaalsContact CA-NH2 3.28Å |
| 235 | R | 79.5 | Confident | 75.9 | Confident | 100 Ų | 100 | 70 Ų | 70 | 38% | 0.377 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 124 | 175 | -60.8 | -63 | 172.5 | 143.7 | -8.5 | 109.9 | D230 Y326 D327 | D230-R235 PolarHBondContact O-NH2 3.42Å; R235-Y326 HydrophobicContact CB-CD1 4.44Å; R235-Y326 HydrophobicContact CB-CE1 4.2Å; R235-D327 PolarHBondContact N-OD1 3.06Å |
| 236 | S | 76.2 | Confident | 74.7 | Confident | 86 Ų | 86 | 73.5 Ų | 73.5 | 60% | 0.601 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 159 | 166.8 | 49.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 237 | L | 71.9 | Confident | 73.5 | Confident | 50 Ų | 50 | 75.4 Ų | 75.4 | 26% | 0.262 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -62 | 139.1 | 170.7 | -68.5 | 168.2 | 0 | 0 | 0 | 108.7 | S239 A251 Q323 Y326 | L237-S239 PolarHBondContact O-N 2.74Å; L237-A251 HydrophobicContact CD1-CB 4.29Å; L237-Q323 HydrophobicContact CD1-CB 4.14Å; L237-Q323 HydrophobicContact CG-CB 4.01Å; L237-Q323 HydrophobicContact CG-CG 4.26Å; L237-Y326 HydrophobicContact CD2-CD1 4.37Å; L237-Y326 HydrophobicContact CD2-CG 4.18Å |
| 238 | P | 71.3 | Confident | 72.5 | Confident | 97 Ų | 97 | 78.6 Ų | 78.6 | 63% | 0.63 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 127 | 177.9 | 22.8 | -30.4 | 0 | 0 | 0 | 109.9 | ||
| 239 | S | 73.5 | Confident | 71.6 | Confident | 72 Ų | 72 | 80.6 Ų | 80.6 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 128.2 | 168.4 | 49.5 | 0 | 0 | 0 | 0 | 108.6 | L237 | L237-S239 PolarHBondContact O-N 2.74Š|
| 240 | C | 59.8 | Low | 71.4 | Confident | 80 Ų | 80 | 78 Ų | 78 | 54% | 0.541 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 138.9 | 173.6 | 57.1 | 0 | 0 | 0 | 0 | 109.8 | A242 C249 | C240-A242 PolarHBondContact O-N 3.38Å; C240-C249 PolarHBondContact N-O 3.2Å; C240-C249 PolarHBondContact O-N 3.45Å |
| 241 | L | 58.2 | Low | 71.3 | Confident | 111 Ų | 111 | 75 Ų | 75 | 58% | 0.581 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 103 | 163.1 | -86.7 | 151.8 | 0 | 0 | 0 | 107.4 | G245 C247 L248 | L241-G245 WeakPolarHBondContact CD2-O 3.38Å; L241-C247 CarbonylContact C-O 3.57Å; L241-C247 WeakPolarHBondContact CA-O 3.43Å; L241-L248 HydrophobicContact CD2-CD2 3.92Å; L241-L248 HydrophobicContact CD2-CG 4.14Å; L241-L248 HydrophobicContact CG-CD2 3.83Å |
| 242 | A | 60.5 | Low | 71.2 | Confident | 29 Ų | 29 | 80.1 Ų | 80.1 | 24% | 0.24 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 171.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | C240 Q246 C247 C249 | C240-A242 PolarHBondContact O-N 3.38Å; A242-Q246 PolarHBondContact O-N 3.31Å; A242-C247 PolarHBondContact N-O 2.77Å; A242-C247 PolarHBondContact O-N 3.49Å; A242-C249 HydrophobicContact CB-CB 4.1Å; A242-C249 WeakPolarHBondContact CB-SG 3.35Å |
| 243 | C | 57.8 | Low | 71.1 | Confident | 80 Ų | 80 | 79.8 Ų | 79.8 | 54% | 0.541 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 60.8 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | G245 Q246 C247 | C243-G245 PolarHBondContact O-N 2.8Å; C243-G245 VanDerWaalsContact O-N 3.14Å; C243-Q246 WeakPolarHBondContact O-CB 3.29Å; C243-Q246 PolarHBondContact O-N 2.79Å; C243-C247 HydrophobicContact CB-CB 4.12Å |
| 244 | N | 64 | Low | 71.1 | Confident | 172 Ų | 172 | 81 Ų | 81 | 92% | 0.92 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 36.3 | 177.7 | -61.3 | -38.7 | 0 | 0 | 0 | 114.1 | ||
| 245 | G | 67.6 | Low | 71.6 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 49% | 0.485 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 10.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L241 C243 | L241-G245 WeakPolarHBondContact CD2-O 3.38Å; C243-G245 PolarHBondContact O-N 2.8Å; C243-G245 VanDerWaalsContact O-N 3.14Å |
| 246 | Q | 63.7 | Low | 71.9 | Confident | 169 Ų | 169 | 74.7 Ų | 74.7 | 79% | 0.79 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -21.4 | -175.7 | -60.8 | -172.8 | -24.4 | 0 | 0 | 114 | A242 C243 | A242-Q246 PolarHBondContact O-N 3.31Å; C243-Q246 WeakPolarHBondContact O-CB 3.29Å; C243-Q246 PolarHBondContact O-N 2.79Å |
| 247 | C | 65.9 | Low | 72.3 | Confident | 57 Ų | 57 | 77 Ų | 77 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.1 | -177.5 | -59.8 | 0 | 0 | 0 | 0 | 111 | L241 A242 C243 C249 | L241-C247 CarbonylContact C-O 3.57Å; L241-C247 WeakPolarHBondContact CA-O 3.43Å; A242-C247 PolarHBondContact N-O 2.77Å; A242-C247 PolarHBondContact O-N 3.49Å; C243-C247 HydrophobicContact CB-CB 4.12Å; C247-C249 PolarHBondContact O-N 3.41Å |
| 248 | L | 66.9 | Low | 72.9 | Confident | 119 Ų | 119 | 77.4 Ų | 77.4 | 62% | 0.623 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 101.4 | 165.8 | -76.6 | 165.7 | 0 | 0 | 0 | 108.9 | L241 S250 | L241-L248 HydrophobicContact CD2-CD2 3.92Å; L241-L248 HydrophobicContact CD2-CG 4.14Å; L241-L248 HydrophobicContact CG-CD2 3.83Å; L248-S250 PolarHBondContact O-N 3.17Å; L248-S250 VanDerWaalsContact O-N 3.12Å |
| 249 | C | 68.9 | Low | 73.7 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 35% | 0.345 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 85.4 | 170.8 | -77.4 | 0 | 0 | 0 | 0 | 108.8 | C240 A242 C247 | C240-C249 PolarHBondContact N-O 3.2Å; C240-C249 PolarHBondContact O-N 3.45Å; A242-C249 HydrophobicContact CB-CB 4.1Å; A242-C249 WeakPolarHBondContact CB-SG 3.35Å; C247-C249 PolarHBondContact O-N 3.41Å |
| 250 | S | 78.8 | Confident | 74.4 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 22% | 0.224 | 43% | 0.431 | C | S | . | . | trans | -76.7 | 142.5 | 161 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | L248 E252 S253 A254 | L248-S250 PolarHBondContact O-N 3.17Å; L248-S250 VanDerWaalsContact O-N 3.12Å; S250-E252 PolarHBondContact O-N 2.67Å; S250-E252 VanDerWaalsContact O-N 3.15Å; S250-E252 PolarHBondContact OG-N 2.69Å; S250-E252 PolarHBondContact OG-OE2 3.37Å; S250-S253 PolarHBondContact N-OG 2.86Å; S250-S253 PolarHBondContact O-N 2.62Å; S250-S253 VanDerWaalsContact O-N 3.12Å; S250-S253 PolarHBondContact O-OG 2.98Å; S250-A254 PolarHBondContact O-N 3.43Å; S250-A254 VanDerWaalsContact O-N 3.08Å | ||
| 251 | A | 81.7 | Confident | 75.7 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 31% | 0.306 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.2 | -29.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L237 L255 L319 | L237-A251 HydrophobicContact CD1-CB 4.29Å; A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.24Å; A251-L255 PolarHBondContact O-N 2.93Å; A251-L255 VanDerWaalsContact O-N 3.1Å; A251-L319 HydrophobicContact CB-CD1 4.15Å; A251-L319 HydrophobicContact CB-CD2 4.22Å |
| 252 | E | 83 | Confident | 77 | Confident | 114 Ų | 114 | 64.1 Ų | 64.1 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.2 | -42.1 | 177.8 | -62.9 | 163.3 | 157.2 | 0 | 0 | 111.8 | S250 L255 E256 | S250-E252 PolarHBondContact O-N 2.67Å; S250-E252 VanDerWaalsContact O-N 3.15Å; S250-E252 PolarHBondContact OG-N 2.69Å; S250-E252 PolarHBondContact OG-OE2 3.37Å; E252-L255 PolarHBondContact O-N 3.01Å; E252-E256 WeakPolarHBondContact O-CG 3.24Å; E252-E256 PolarHBondContact O-N 3.4Å |
| 253 | S | 81.3 | Confident | 78.2 | Confident | 39 Ų | 39 | 66.6 Ų | 66.6 | 27% | 0.273 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.8 | -41.6 | 178.5 | 61.3 | 0 | 0 | 0 | 0 | 111.1 | S250 L255 E256 H257 | S250-S253 PolarHBondContact N-OG 2.86Å; S250-S253 PolarHBondContact O-N 2.62Å; S250-S253 VanDerWaalsContact O-N 3.12Å; S250-S253 PolarHBondContact O-OG 2.98Å; S253-L255 VanDerWaalsContact C-N 3.29Å; S253-L255 PolarHBondContact O-N 2.97Å; S253-E256 PolarHBondContact O-N 3.05Å; S253-H257 PolarHBondContact O-N 3.03Å; S253-H257 VanDerWaalsContact O-N 3.07Å; S253-H257 PolarHBondContact O-ND1 3.08Å |
| 254 | A | 85.1 | Confident | 79.5 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S250 G258 | S250-A254 PolarHBondContact O-N 3.43Å; S250-A254 VanDerWaalsContact O-N 3.08Å; A254-G258 PolarHBondContact O-N 2.93Å |
| 255 | L | 87 | Confident | 80.5 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.089 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 176 | 179.9 | 151.7 | 0 | 0 | 0 | 111.6 | A251 E252 S253 H257 G258 T259 Y312 V315 K316 L319 | A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.24Å; A251-L255 PolarHBondContact O-N 2.93Å; A251-L255 VanDerWaalsContact O-N 3.1Å; E252-L255 PolarHBondContact O-N 3.01Å; S253-L255 VanDerWaalsContact C-N 3.29Å; S253-L255 PolarHBondContact O-N 2.97Å; L255-H257 VanDerWaalsContact C-N 3.34Å; L255-H257 PolarHBondContact O-N 3.12Å; L255-G258 PolarHBondContact O-N 3.12Å; L255-T259 HydrophobicContact CD2-CG2 4.41Å; L255-T259 HydrophobicContact CG-CG2 4.22Å; L255-T259 WeakPolarHBondContact O-CB 3.34Å; L255-T259 VanDerWaalsContact O-CG2 3.27Å; L255-T259 WeakPolarHBondContact O-CG2 3.22Å; L255-T259 PolarHBondContact O-N 3.15Å; L255-T259 PolarHBondContact O-OG1 3.04Å; L255-Y312 HydrophobicContact CD2-CD2 3.17Å; L255-Y312 HydrophobicContact CD2-CE2 3.15Å; L255-Y312 HydrophobicContact CD2-CG 4.27Å; L255-Y312 HydrophobicContact CG-CD2 4.4Å; L255-V315 HydrophobicContact CD1-CB 3.92Å; L255-V315 HydrophobicContact CD1-CG1 3.51Å; L255-V315 HydrophobicContact CG-CG1 4.26Å; L255-K316 HydrophobicContact CD1-CB 4.09Å; L255-L319 HydrophobicContact CB-CD1 4.02Å; L255-L319 HydrophobicContact CD1-CD1 3.39Å; L255-L319 HydrophobicContact CD1-CG 4.02Å; L255-L319 HydrophobicContact CG-CD1 4.32Å |
| 256 | E | 86.3 | Confident | 81.3 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 22% | 0.22 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.9 | -36.7 | -178.4 | -73.9 | -179.4 | -179.7 | 0 | 0 | 113.5 | E252 S253 C260 M261 C262 K265 Y312 | E252-E256 WeakPolarHBondContact O-CG 3.24Å; E252-E256 PolarHBondContact O-N 3.4Å; S253-E256 PolarHBondContact O-N 3.05Å; E256-C260 PolarHBondContact O-N 3.31Å; E256-M261 PolarHBondContact O-N 3.1Å; E256-C262 PolarHBondContact O-N 3.38Å; E256-K265 IonicContact OE1-NZ 2.67Å; E256-K265 PolarHBondContact OE1-NZ 3.2Å; E256-K265 IonicContact OE2-NZ 3.87Å; E256-K265 PolarHBondContact OE2-NZ 2.84Å; E256-Y312 HydrophobicContact CG-CE2 4.28Å |
| 257 | H | 85.7 | Confident | 82.2 | Confident | 135 Ų | 135 | 51.3 Ų | 51.3 | 63% | 0.625 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -75.7 | -38 | 175.6 | -67.5 | 77.2 | 0 | 0 | 0 | 111.5 | S253 L255 | S253-H257 PolarHBondContact O-N 3.03Å; S253-H257 VanDerWaalsContact O-N 3.07Å; S253-H257 PolarHBondContact O-ND1 3.08Å; L255-H257 VanDerWaalsContact C-N 3.34Å; L255-H257 PolarHBondContact O-N 3.12Å |
| 258 | G | 84.4 | Confident | 82.9 | Confident | 57 Ų | 57 | 49.3 Ų | 49.3 | 59% | 0.588 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -72.1 | -31.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A254 L255 | A254-G258 PolarHBondContact O-N 2.93Å; L255-G258 PolarHBondContact O-N 3.12Å |
| 259 | T | 87.9 | Confident | 83.5 | Confident | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 4.7 | -180 | 71 | 0 | 0 | 0 | 0 | 112.8 | L255 M261 C308 L309 Y312 | L255-T259 HydrophobicContact CD2-CG2 4.41Å; L255-T259 HydrophobicContact CG-CG2 4.22Å; L255-T259 WeakPolarHBondContact O-CB 3.34Å; L255-T259 VanDerWaalsContact O-CG2 3.27Å; L255-T259 WeakPolarHBondContact O-CG2 3.22Å; L255-T259 PolarHBondContact O-N 3.15Å; L255-T259 PolarHBondContact O-OG1 3.04Å; T259-M261 PolarHBondContact O-N 3.3Å; T259-M261 VanDerWaalsContact O-N 3.15Å; T259-M261 WeakPolarHBondContact OG1-CB 3.42Å; T259-M261 PolarHBondContact OG1-N 3.43Å; T259-C308 WeakPolarHBondContact CB-O 3.25Å; T259-C308 CarbonylContact O-C 3.35Å; T259-L309 WeakPolarHBondContact O-CA 3.42Å; T259-L309 VanDerWaalsContact O-CD2 3.25Å; T259-L309 WeakPolarHBondContact O-CD2 3.09Å; T259-L309 PolarHBondContact O-N 2.96Å; T259-Y312 HydrophobicContact CG2-CD2 4.31Å; T259-Y312 VanDerWaalsContact OG1-CD2 3.25Å; T259-Y312 WeakPolarHBondContact OG1-CD2 3.46Å |
| 260 | C | 88 | Confident | 83.9 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 16.3 | -175.9 | -39.7 | 0 | 0 | 0 | 0 | 114 | E256 C262 L263 F306 C308 L309 | E256-C260 PolarHBondContact O-N 3.31Å; C260-C262 PolarHBondContact O-N 3.46Å; C260-L263 HydrophobicContact CB-CD1 4.24Å; C260-L263 WeakPolarHBondContact O-CB 3.45Å; C260-L263 PolarHBondContact O-N 3.24Å; C260-L263 VanDerWaalsContact O-N 3.15Å; C260-F306 HydrophobicContact CB-CB 4.4Å; C260-F306 HydrophobicContact CB-CD1 4.43Å; C260-C308 HydrophobicContact CB-CB 4.34Å; C260-C308 WeakPolarHBondContact CB-SG 3.09Å; C260-C308 WeakPolarHBondContact SG-CB 3.43Å; C260-C308 CovalentContact SG-SG 2.07Å; C260-C308 PolarHBondContact SG-SG 3.15Å; C260-L309 HydrophobicContact CB-CD2 4.44Å |
| 261 | M | 86.2 | Confident | 83.5 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.7 | -26 | -179.2 | -177.6 | 59.3 | 102.1 | 0 | 0 | 111.6 | E256 T259 L263 V264 K265 P284 M299 L309 Y312 | E256-M261 PolarHBondContact O-N 3.1Å; T259-M261 PolarHBondContact O-N 3.3Å; T259-M261 VanDerWaalsContact O-N 3.15Å; T259-M261 WeakPolarHBondContact OG1-CB 3.42Å; T259-M261 PolarHBondContact OG1-N 3.43Å; M261-L263 PolarHBondContact O-N 3.23Å; M261-V264 PolarHBondContact O-N 3.26Å; M261-V264 HydrophobicContact SD-CB 3.87Å; M261-V264 HydrophobicContact SD-CG1 4.05Å; M261-V264 HydrophobicContact SD-CG2 4.44Å; M261-K265 WeakPolarHBondContact O-CG 3.36Å; M261-K265 PolarHBondContact O-N 2.79Å; M261-P284 HydrophobicContact CE-CG 3.99Å; M261-P284 HydrophobicContact SD-CG 4.04Å; M261-M299 HydrophobicContact CE-CE 3.84Å; M261-M299 HydrophobicContact SD-CE 4.41Å; M261-L309 HydrophobicContact CB-CD2 4.44Å; M261-L309 HydrophobicContact SD-CD2 4.46Å; M261-Y312 HydrophobicContact CB-CD2 3.65Å; M261-Y312 HydrophobicContact CB-CE2 3.69Å; M261-Y312 HydrophobicContact CB-CG 4.37Å; M261-Y312 HydrophobicContact CE-CD1 3.25Å; M261-Y312 HydrophobicContact CE-CD2 4.04Å; M261-Y312 HydrophobicContact CE-CE1 3.16Å; M261-Y312 HydrophobicContact CE-CE2 3.97Å; M261-Y312 HydrophobicContact CE-CG 3.68Å; M261-Y312 HydrophobicContact CG-CD2 3.9Å; M261-Y312 HydrophobicContact CG-CE1 4.44Å; M261-Y312 HydrophobicContact CG-CE2 3.52Å; M261-Y312 HydrophobicContact CG-CG 4.46Å |
| 262 | C | 85.4 | Confident | 82.9 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 31% | 0.311 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56 | -36.7 | 171.8 | 56.7 | 0 | 0 | 0 | 0 | 113 | E256 C260 K265 G266 | E256-C262 PolarHBondContact O-N 3.38Å; C260-C262 PolarHBondContact O-N 3.46Å; C262-K265 PolarHBondContact O-N 2.85Å; C262-G266 PolarHBondContact O-N 3.47Å |
| 263 | L | 85.7 | Confident | 81.7 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 42% | 0.424 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 178 | -60.2 | 178.5 | 0 | 0 | 0 | 111.3 | C260 M261 G266 I267 F306 | C260-L263 HydrophobicContact CB-CD1 4.24Å; C260-L263 WeakPolarHBondContact O-CB 3.45Å; C260-L263 PolarHBondContact O-N 3.24Å; C260-L263 VanDerWaalsContact O-N 3.15Å; M261-L263 PolarHBondContact O-N 3.23Å; L263-G266 PolarHBondContact O-N 3.42Å; L263-I267 VanDerWaalsContact O-CG1 3.3Å; L263-I267 WeakPolarHBondContact O-CG1 3.33Å; L263-I267 PolarHBondContact O-N 3.44Å; L263-F306 HydrophobicContact CD1-CD1 4.24Å; L263-F306 HydrophobicContact CD1-CE1 3.74Å; L263-F306 HydrophobicContact CD1-CE2 4.37Å; L263-F306 HydrophobicContact CD1-CZ 3.82Å |
| 264 | V | 85.5 | Confident | 80.7 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 176.6 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | M261 G266 I267 F268 M299 L309 | M261-V264 PolarHBondContact O-N 3.26Å; M261-V264 HydrophobicContact SD-CB 3.87Å; M261-V264 HydrophobicContact SD-CG1 4.05Å; M261-V264 HydrophobicContact SD-CG2 4.44Å; V264-G266 VanDerWaalsContact C-N 3.33Å; V264-G266 PolarHBondContact O-N 2.85Å; V264-I267 PolarHBondContact O-N 3.05Å; V264-F268 HydrophobicContact CG1-CD2 3.55Å; V264-F268 HydrophobicContact CG1-CE2 3.33Å; V264-F268 HydrophobicContact CG1-CZ 4.38Å; V264-F268 WeakPolarHBondContact O-CB 3.43Å; V264-F268 VanDerWaalsContact O-CD2 3.23Å; V264-F268 WeakPolarHBondContact O-CD2 2.97Å; V264-F268 PolarHBondContact O-N 2.88Å; V264-M299 HydrophobicContact CG1-CE 4.31Å; V264-M299 HydrophobicContact CG1-CG 4.2Å; V264-L309 HydrophobicContact CG2-CD1 3.68Å; V264-L309 HydrophobicContact CG2-CD2 3.59Å; V264-L309 HydrophobicContact CG2-CG 4.32Å |
| 265 | K | 85.4 | Confident | 79.3 | Confident | 49 Ų | 49 | 65.8 Ų | 65.8 | 21% | 0.213 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 173.3 | -69 | -173 | 177.5 | 178.7 | 0 | 112.1 | E256 M261 C262 F268 Y269 A281 | E256-K265 IonicContact OE1-NZ 2.67Å; E256-K265 PolarHBondContact OE1-NZ 3.2Å; E256-K265 IonicContact OE2-NZ 3.87Å; E256-K265 PolarHBondContact OE2-NZ 2.84Å; M261-K265 WeakPolarHBondContact O-CG 3.36Å; M261-K265 PolarHBondContact O-N 2.79Å; C262-K265 PolarHBondContact O-N 2.85Å; K265-F268 PolarHBondContact O-N 3.1Å; K265-Y269 WeakPolarHBondContact O-CB 3.3Å; K265-Y269 PolarHBondContact O-N 3.33Å; K265-A281 WeakPolarHBondContact CG-O 3.31Å |
| 266 | G | 84.3 | Confident | 77.9 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 31% | 0.309 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C262 L263 V264 Y269 H270 | C262-G266 PolarHBondContact O-N 3.47Å; L263-G266 PolarHBondContact O-N 3.42Å; V264-G266 VanDerWaalsContact C-N 3.33Å; V264-G266 PolarHBondContact O-N 2.85Å; G266-Y269 WeakPolarHBondContact O-CB 3.06Å; G266-Y269 PolarHBondContact O-N 3.26Å; G266-H270 PolarHBondContact O-CD2 3.19Å; G266-H270 VanDerWaalsContact O-CD2 3.29Å; G266-H270 PolarHBondContact O-N 3.49Å |
| 267 | I | 82.6 | Confident | 76.4 | Confident | 60 Ų | 60 | 72.6 Ų | 72.6 | 31% | 0.308 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 175 | -65.7 | 163.6 | 0 | 0 | 0 | 110 | L263 V264 Y269 H270 C271 M302 | L263-I267 VanDerWaalsContact O-CG1 3.3Å; L263-I267 WeakPolarHBondContact O-CG1 3.33Å; L263-I267 PolarHBondContact O-N 3.44Å; V264-I267 PolarHBondContact O-N 3.05Å; I267-Y269 VanDerWaalsContact C-N 3.27Å; I267-Y269 PolarHBondContact O-N 3.47Å; I267-H270 PolarHBondContact O-N 3.07Å; I267-C271 WeakPolarHBondContact O-CB 3.17Å; I267-C271 PolarHBondContact O-N 3.35Å; I267-C271 PolarHBondContact O-SG 3.19Å; I267-M302 HydrophobicContact CD1-CE 3.87Å; I267-M302 HydrophobicContact CD1-SD 4.04Å |
| 268 | F | 81.1 | Confident | 74.9 | Confident | 15 Ų | 15 | 70.6 Ų | 70.6 | 7% | 0.066 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.3 | -30.7 | 176.2 | -76.3 | -46.3 | 0 | 0 | 0 | 113.3 | V264 K265 C271 S272 P284 R295 M299 | V264-F268 HydrophobicContact CG1-CD2 3.55Å; V264-F268 HydrophobicContact CG1-CE2 3.33Å; V264-F268 HydrophobicContact CG1-CZ 4.38Å; V264-F268 WeakPolarHBondContact O-CB 3.43Å; V264-F268 VanDerWaalsContact O-CD2 3.23Å; V264-F268 WeakPolarHBondContact O-CD2 2.97Å; V264-F268 PolarHBondContact O-N 2.88Å; K265-F268 PolarHBondContact O-N 3.1Å; F268-C271 PolarHBondContact O-N 3.43Å; F268-S272 VanDerWaalsContact O-CB 3.32Å; F268-S272 WeakPolarHBondContact O-CB 3.41Å; F268-S272 PolarHBondContact O-N 2.92Å; F268-P284 HydrophobicContact CD2-CB 4.15Å; F268-P284 HydrophobicContact CE2-CB 4.04Å; F268-R295 HydrophobicContact CE1-CB 4.42Å; F268-R295 HydrophobicContact CE1-CG 4.13Å; F268-R295 HydrophobicContact CZ-CB 4.25Å; F268-R295 HydrophobicContact CZ-CG 4.41Å; F268-M299 HydrophobicContact CE2-CG 3.78Å; F268-M299 HydrophobicContact CE2-SD 4.18Å; F268-M299 HydrophobicContact CZ-CG 3.8Å |
| 269 | Y | 79 | Confident | 73.9 | Confident | 135 Ų | 135 | 70.5 Ų | 70.5 | 53% | 0.529 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 172.6 | -177.7 | -104.3 | 0 | 0 | 0 | 111.2 | K265 G266 I267 C271 S272 | K265-Y269 WeakPolarHBondContact O-CB 3.3Å; K265-Y269 PolarHBondContact O-N 3.33Å; G266-Y269 WeakPolarHBondContact O-CB 3.06Å; G266-Y269 PolarHBondContact O-N 3.26Å; I267-Y269 VanDerWaalsContact C-N 3.27Å; I267-Y269 PolarHBondContact O-N 3.47Å; Y269-C271 VanDerWaalsContact C-N 3.35Å; Y269-C271 PolarHBondContact O-N 3.47Å; Y269-S272 PolarHBondContact O-N 3.05Å |
| 270 | H | 78.3 | Confident | 72.4 | Confident | 161 Ų | 161 | 70.6 Ų | 70.6 | 75% | 0.745 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -72.3 | -24.4 | 177 | -76.5 | -63.1 | 0 | 0 | 0 | 114.6 | G266 I267 | G266-H270 PolarHBondContact O-CD2 3.19Å; G266-H270 VanDerWaalsContact O-CD2 3.29Å; G266-H270 PolarHBondContact O-N 3.49Å; I267-H270 PolarHBondContact O-N 3.07Å |
| 271 | C | 70.1 | Confident | 71 | Confident | 97 Ų | 97 | 70 Ų | 70 | 66% | 0.655 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -90.9 | -10.9 | 177.7 | -66.3 | 0 | 0 | 0 | 0 | 113.5 | I267 F268 Y269 | I267-C271 WeakPolarHBondContact O-CB 3.17Å; I267-C271 PolarHBondContact O-N 3.35Å; I267-C271 PolarHBondContact O-SG 3.19Å; F268-C271 PolarHBondContact O-N 3.43Å; Y269-C271 VanDerWaalsContact C-N 3.35Å; Y269-C271 PolarHBondContact O-N 3.47Å |
| 272 | S | 68.1 | Low | 70 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -81.7 | 120.4 | 172.2 | -161.8 | 0 | 0 | 0 | 0 | 107.5 | F268 Y269 D274 | F268-S272 VanDerWaalsContact O-CB 3.32Å; F268-S272 WeakPolarHBondContact O-CB 3.41Å; F268-S272 PolarHBondContact O-N 2.92Å; Y269-S272 PolarHBondContact O-N 3.05Å; S272-D274 PolarHBondContact O-N 2.73Å |
| 273 | N | 58.8 | Low | 68.9 | Low | 114 Ų | 114 | 78.6 Ų | 78.6 | 61% | 0.61 | 44% | 0.436 | S | S | * | . | trans | -65.9 | 125.6 | 171.5 | -156 | 49 | 0 | 0 | 0 | 107.8 | D275 E276 | N273-D275 PolarHBondContact ND2-OD2 3.07Å; N273-D275 VanDerWaalsContact ND2-OD2 3.12Å; N273-D275 PolarHBondContact O-N 3.22Å; N273-E276 PolarHBondContact O-N 3.4Å | ||
| 274 | D | 59.4 | Low | 67.7 | Low | 138 Ų | 138 | 75.1 Ų | 75.1 | 74% | 0.738 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -9.4 | -172.7 | -82.8 | -60 | 0 | 0 | 0 | 114.2 | S272 | S272-D274 PolarHBondContact O-N 2.73Š|
| 275 | D | 56.7 | Low | 66.5 | Low | 131 Ų | 131 | 77.9 Ų | 77.9 | 70% | 0.701 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -16.1 | -179.2 | -65.7 | -64.1 | 0 | 0 | 0 | 114.3 | N273 | N273-D275 PolarHBondContact ND2-OD2 3.07Å; N273-D275 VanDerWaalsContact ND2-OD2 3.12Å; N273-D275 PolarHBondContact O-N 3.22Å |
| 276 | E | 56.4 | Low | 65.5 | Low | 121 Ų | 121 | 78 Ų | 78 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -115 | 100.1 | -176.2 | -54.8 | -73 | 119.9 | 0 | 0 | 108.7 | N273 D278 | N273-E276 PolarHBondContact O-N 3.4Å; E276-D278 PolarHBondContact O-N 2.93Å |
| 277 | G | 54.6 | Low | 64.2 | Low | 86 Ų | 86 | 82.7 Ų | 82.7 | 89% | 0.887 | 46% | 0.461 | S | S | * | . | trans | -58.5 | 16.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | S279 | G277-S279 PolarHBondContact O-N 3.31Š| ||
| 278 | D | 54.6 | Low | 63 | Low | 93 Ų | 93 | 85.3 Ų | 85.3 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | trans | -92.6 | 74 | 171.8 | -75.1 | -26.8 | 0 | 0 | 0 | 109.9 | E276 C280 R289 | E276-D278 PolarHBondContact O-N 2.93Å; D278-C280 PolarHBondContact O-N 3.04Å; D278-R289 VanDerWaalsContact CG-CZ 3.41Å; D278-R289 VanDerWaalsContact CG-NH2 3.33Å; D278-R289 PolarHBondContact O-NH1 3.03Å; D278-R289 IonicContact OD2-CZ 3.43Å; D278-R289 IonicContact OD2-NE 2.87Å; D278-R289 PolarHBondContact OD2-NE 2.89Å; D278-R289 IonicContact OD2-NH1 3.38Å; D278-R289 IonicContact OD2-NH2 2.67Å; D278-R289 PolarHBondContact OD2-NH2 2.94Å | ||
| 279 | S | 64.1 | Low | 62 | Low | 55 Ų | 55 | 88 Ų | 88 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | trans | -55.7 | 93.6 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | G277 A281 D282 | G277-S279 PolarHBondContact O-N 3.31Å; S279-A281 PolarHBondContact O-N 3Å; S279-D282 WeakPolarHBondContact CB-OD2 3.25Å; S279-D282 PolarHBondContact O-N 3.4Å; S279-D282 PolarHBondContact OG-OD2 3.42Å | ||
| 280 | C | 56.6 | Low | 61 | Low | 10 Ų | 10 | 86.9 Ų | 86.9 | 7% | 0.068 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.1 | 177.1 | 67 | 0 | 0 | 0 | 0 | 113.4 | D278 D282 H283 | D278-C280 PolarHBondContact O-N 3.04Å; C280-D282 VanDerWaalsContact C-N 3.31Å; C280-H283 CarbonylContact O-C 3.53Å |
| 281 | A | 58.2 | Low | 60.3 | Low | 11 Ų | 11 | 85 Ų | 85 | 9% | 0.091 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -31 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K265 S279 | K265-A281 WeakPolarHBondContact CG-O 3.31Å; S279-A281 PolarHBondContact O-N 3Å |
| 282 | D | 64.1 | Low | 60.1 | Low | 102 Ų | 102 | 81.8 Ų | 81.8 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -29.5 | -176.9 | -67.5 | -51.6 | 0 | 0 | 0 | 112.6 | S279 C280 | S279-D282 WeakPolarHBondContact CB-OD2 3.25Å; S279-D282 PolarHBondContact O-N 3.4Å; S279-D282 PolarHBondContact OG-OD2 3.42Å; C280-D282 VanDerWaalsContact C-N 3.31Å |
| 283 | H | 62.6 | Low | 60.3 | Low | 129 Ų | 129 | 85.6 Ų | 85.6 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | trans | -135 | 73 | -179.6 | -60.8 | -38.2 | 0 | 0 | 0 | 112.5 | C280 C285 S286 | C280-H283 CarbonylContact O-C 3.53Å; H283-C285 PolarHBondContact O-N 3.32Å; H283-C285 VanDerWaalsContact O-N 3.09Å; H283-S286 VanDerWaalsContact CB-OG 3.25Å; H283-S286 WeakPolarHBondContact CB-OG 3.48Å; H283-S286 PolarHBondContact O-N 3.3Å | ||
| 284 | P | 61.1 | Low | 61.1 | Low | 7 Ų | 7 | 83.9 Ų | 83.9 | 5% | 0.045 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.9 | -178.5 | 25.2 | -34.5 | 0 | 0 | 0 | 112.9 | M261 F268 M299 | M261-P284 HydrophobicContact CE-CG 3.99Å; M261-P284 HydrophobicContact SD-CG 4.04Å; F268-P284 HydrophobicContact CD2-CB 4.15Å; F268-P284 HydrophobicContact CE2-CB 4.04Å; P284-M299 HydrophobicContact CB-CE 4.14Å; P284-M299 HydrophobicContact CB-SD 4.08Å; P284-M299 VanDerWaalsContact O-SD 3.33Å |
| 285 | C | 61.2 | Low | 62 | Low | 65 Ų | 65 | 79 Ų | 79 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 8.9 | -178.3 | -50.7 | 0 | 0 | 0 | 0 | 114.7 | H283 | H283-C285 PolarHBondContact O-N 3.32Å; H283-C285 VanDerWaalsContact O-N 3.09Å |
| 286 | S | 63 | Low | 63.2 | Low | 51 Ų | 51 | 76.6 Ų | 76.6 | 36% | 0.357 | 45% | 0.454 | S | S | . | . | trans | -76.2 | 126.9 | -178.5 | -80.7 | 0 | 0 | 0 | 0 | 112.5 | H283 S288 | H283-S286 VanDerWaalsContact CB-OG 3.25Å; H283-S286 WeakPolarHBondContact CB-OG 3.48Å; H283-S286 PolarHBondContact O-N 3.3Å; S286-S288 VanDerWaalsContact C-N 3.31Å; S286-S288 PolarHBondContact O-N 3.1Å | ||
| 287 | L | 57.7 | Low | 64.5 | Low | 130 Ų | 130 | 76.5 Ų | 76.5 | 68% | 0.681 | 46% | 0.456 | S | S | * | . | trans | -81.1 | -2.7 | -178.4 | -71 | 163.8 | 0 | 0 | 0 | 114.3 | R289 F296 | L287-R289 PolarHBondContact O-N 2.85Å; L287-F296 HydrophobicContact CD2-CE2 3.6Å; L287-F296 HydrophobicContact CD2-CZ 3.64Å; L287-F296 HydrophobicContact CG-CE2 4.48Å; L287-F296 HydrophobicContact CG-CZ 4.27Å | ||
| 288 | S | 56.7 | Low | 65.7 | Low | 115 Ų | 115 | 74.2 Ų | 74.2 | 80% | 0.804 | 43% | 0.426 | S | S | * | . | trans | -90.7 | 15.4 | -159.5 | -27.7 | 0 | 0 | 0 | 0 | 116.3 | S286 | S286-S288 VanDerWaalsContact C-N 3.31Å; S286-S288 PolarHBondContact O-N 3.1Å | ||
| 289 | R | 60 | Low | 67.1 | Low | 71 Ų | 71 | 71.3 Ų | 71.3 | 27% | 0.268 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -133.2 | 150.1 | -169.5 | -144.2 | 162.2 | 178.9 | -130.3 | -22.4 | 113.3 | D278 L287 H291 C292 R295 | D278-R289 VanDerWaalsContact CG-CZ 3.41Å; D278-R289 VanDerWaalsContact CG-NH2 3.33Å; D278-R289 PolarHBondContact O-NH1 3.03Å; D278-R289 IonicContact OD2-CZ 3.43Å; D278-R289 IonicContact OD2-NE 2.87Å; D278-R289 PolarHBondContact OD2-NE 2.89Å; D278-R289 IonicContact OD2-NH1 3.38Å; D278-R289 IonicContact OD2-NH2 2.67Å; D278-R289 PolarHBondContact OD2-NH2 2.94Å; L287-R289 PolarHBondContact O-N 2.85Å; R289-H291 PolarHBondContact O-N 3.1Å; R289-C292 VanDerWaalsContact O-CB 3.25Å; R289-C292 WeakPolarHBondContact O-CB 3.29Å; R289-C292 PolarHBondContact O-N 3.46Å; R289-R295 VanDerWaalsContact NH1-NH2 3.11Å |
| 290 | S | 58.9 | Low | 68 | Low | 112 Ų | 112 | 70.6 Ų | 70.6 | 78% | 0.783 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -21.1 | -177.9 | 50.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 291 | H | 63.1 | Low | 69.4 | Low | 120 Ų | 120 | 75.4 Ų | 75.4 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 21 | 177.3 | -65.6 | -82.6 | 0 | 0 | 0 | 114.4 | R289 C293 S294 R295 | R289-H291 PolarHBondContact O-N 3.1Å; H291-C293 PolarHBondContact O-N 3.36Å; H291-S294 PolarHBondContact O-N 3Å; H291-R295 PolarHBondContact O-N 3.34Å |
| 292 | C | 66.8 | Low | 70.6 | Confident | 30 Ų | 30 | 76.9 Ų | 76.9 | 20% | 0.203 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -46.4 | -57.1 | 178.5 | 169.3 | 0 | 0 | 0 | 0 | 112.6 | R289 S294 R295 F296 | R289-C292 VanDerWaalsContact O-CB 3.25Å; R289-C292 WeakPolarHBondContact O-CB 3.29Å; R289-C292 PolarHBondContact O-N 3.46Å; C292-S294 PolarHBondContact O-N 3.23Å; C292-R295 PolarHBondContact O-N 3.48Å; C292-R295 VanDerWaalsContact O-N 3.15Å; C292-F296 WeakPolarHBondContact O-CD2 3.46Å; C292-F296 PolarHBondContact O-N 3.26Å; C292-F296 VanDerWaalsContact SG-CD2 3.52Å; C292-F296 WeakPolarHBondContact SG-CE2 3.48Å |
| 293 | C | 71.2 | Confident | 71.7 | Confident | 107 Ų | 107 | 72.9 Ų | 72.9 | 72% | 0.723 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.8 | -40.5 | -174.3 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | H291 R295 F296 L297 | H291-C293 PolarHBondContact O-N 3.36Å; C293-R295 VanDerWaalsContact C-N 3.35Å; C293-R295 PolarHBondContact O-N 3.08Å; C293-F296 PolarHBondContact O-N 3.32Å; C293-L297 VanDerWaalsContact O-CB 3.3Å; C293-L297 WeakPolarHBondContact O-CB 3.27Å; C293-L297 PolarHBondContact O-N 3Å |
| 294 | S | 76.6 | Confident | 72.7 | Confident | 78 Ų | 78 | 72.5 Ų | 72.5 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 178.7 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | H291 C292 L297 C298 | H291-S294 PolarHBondContact O-N 3Å; C292-S294 PolarHBondContact O-N 3.23Å; S294-L297 PolarHBondContact O-N 3.33Å; S294-C298 VanDerWaalsContact O-CB 3.3Å; S294-C298 WeakPolarHBondContact O-CB 3.48Å; S294-C298 PolarHBondContact O-N 3.49Å |
| 295 | R | 78.8 | Confident | 73.8 | Confident | 36 Ų | 36 | 78 Ų | 78 | 14% | 0.136 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.7 | -46 | 176.9 | -69.4 | -179 | 177.1 | 166.3 | 5.9 | 112.1 | F268 R289 H291 C292 C293 L297 C298 M299 | F268-R295 HydrophobicContact CE1-CB 4.42Å; F268-R295 HydrophobicContact CE1-CG 4.13Å; F268-R295 HydrophobicContact CZ-CB 4.25Å; F268-R295 HydrophobicContact CZ-CG 4.41Å; R289-R295 VanDerWaalsContact NH1-NH2 3.11Å; H291-R295 PolarHBondContact O-N 3.34Å; C292-R295 PolarHBondContact O-N 3.48Å; C292-R295 VanDerWaalsContact O-N 3.15Å; C293-R295 VanDerWaalsContact C-N 3.35Å; C293-R295 PolarHBondContact O-N 3.08Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-L297 PolarHBondContact O-N 2.07Å; R295-C298 PolarHBondContact O-N 3.15Å; R295-M299 WeakPolarHBondContact O-CB 3.34Å; R295-M299 VanDerWaalsContact O-CG 3.32Å; R295-M299 WeakPolarHBondContact O-CG 3.39Å; R295-M299 PolarHBondContact O-N 3.46Å |
| 296 | F | 82.1 | Confident | 74.9 | Confident | 80 Ų | 80 | 78.5 Ų | 78.5 | 35% | 0.351 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 176.7 | -75.3 | -73.4 | 0 | 0 | 0 | 112.2 | L287 C292 C293 M299 G300 | L287-F296 HydrophobicContact CD2-CE2 3.6Å; L287-F296 HydrophobicContact CD2-CZ 3.64Å; L287-F296 HydrophobicContact CG-CE2 4.48Å; L287-F296 HydrophobicContact CG-CZ 4.27Å; C292-F296 WeakPolarHBondContact O-CD2 3.46Å; C292-F296 PolarHBondContact O-N 3.26Å; C292-F296 VanDerWaalsContact SG-CD2 3.52Å; C292-F296 WeakPolarHBondContact SG-CE2 3.48Å; C293-F296 PolarHBondContact O-N 3.32Å; F296-M299 PolarHBondContact O-N 2.77Å; F296-G300 PolarHBondContact O-N 2.64Å |
| 297 | L | 82.4 | Confident | 75.9 | Confident | 118 Ų | 118 | 80.4 Ų | 80.4 | 62% | 0.618 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 173.9 | -174 | 67.3 | 0 | 0 | 0 | 111.4 | C293 S294 R295 G300 L301 | C293-L297 VanDerWaalsContact O-CB 3.3Å; C293-L297 WeakPolarHBondContact O-CB 3.27Å; C293-L297 PolarHBondContact O-N 3Å; S294-L297 PolarHBondContact O-N 3.33Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-L297 PolarHBondContact O-N 2.07Å; L297-G300 PolarHBondContact O-N 3.16Å; L297-L301 HydrophobicContact CG-CD1 4.45Å; L297-L301 WeakPolarHBondContact O-CG 3.43Å; L297-L301 PolarHBondContact O-N 3.34Å |
| 298 | C | 81.2 | Confident | 77.3 | Confident | 38 Ų | 38 | 75.7 Ų | 75.7 | 26% | 0.257 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 175.2 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | S294 R295 G300 L301 M302 | S294-C298 VanDerWaalsContact O-CB 3.3Å; S294-C298 WeakPolarHBondContact O-CB 3.48Å; S294-C298 PolarHBondContact O-N 3.49Å; R295-C298 PolarHBondContact O-N 3.15Å; C298-G300 VanDerWaalsContact C-N 3.31Å; C298-G300 PolarHBondContact O-N 2.99Å; C298-L301 PolarHBondContact O-N 3.43Å; C298-M302 VanDerWaalsContact O-CG 3.26Å; C298-M302 WeakPolarHBondContact O-CG 3.46Å; C298-M302 PolarHBondContact O-N 3.07Å |
| 299 | M | 82.9 | Confident | 78.6 | Confident | 33 Ų | 33 | 70.9 Ų | 70.9 | 16% | 0.163 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 174.4 | -71.1 | -173.7 | 77.7 | 0 | 0 | 112.3 | M261 V264 F268 P284 R295 F296 M302 S303 | M261-M299 HydrophobicContact CE-CE 3.84Å; M261-M299 HydrophobicContact SD-CE 4.41Å; V264-M299 HydrophobicContact CG1-CE 4.31Å; V264-M299 HydrophobicContact CG1-CG 4.2Å; F268-M299 HydrophobicContact CE2-CG 3.78Å; F268-M299 HydrophobicContact CE2-SD 4.18Å; F268-M299 HydrophobicContact CZ-CG 3.8Å; P284-M299 HydrophobicContact CB-CE 4.14Å; P284-M299 HydrophobicContact CB-SD 4.08Å; P284-M299 VanDerWaalsContact O-SD 3.33Å; R295-M299 WeakPolarHBondContact O-CB 3.34Å; R295-M299 VanDerWaalsContact O-CG 3.32Å; R295-M299 WeakPolarHBondContact O-CG 3.39Å; R295-M299 PolarHBondContact O-N 3.46Å; F296-M299 PolarHBondContact O-N 2.77Å; M299-M302 PolarHBondContact O-N 3.15Å; M299-S303 WeakPolarHBondContact O-CB 3.18Å; M299-S303 PolarHBondContact O-N 3.48Å |
| 300 | G | 84 | Confident | 79.8 | Confident | 39 Ų | 39 | 73.1 Ų | 73.1 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F296 L297 C298 S303 V304 | F296-G300 PolarHBondContact O-N 2.64Å; L297-G300 PolarHBondContact O-N 3.16Å; C298-G300 VanDerWaalsContact C-N 3.31Å; C298-G300 PolarHBondContact O-N 2.99Å; G300-S303 WeakPolarHBondContact O-CB 3.33Å; G300-S303 PolarHBondContact O-N 3.49Å; G300-V304 PolarHBondContact O-N 3.03Å |
| 301 | L | 86.1 | Confident | 81.1 | Confident | 111 Ų | 111 | 70.9 Ų | 70.9 | 58% | 0.581 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.2 | -44.9 | 175.1 | -70.5 | 171 | 0 | 0 | 0 | 111.6 | L297 C298 S303 V304 | L297-L301 HydrophobicContact CG-CD1 4.45Å; L297-L301 WeakPolarHBondContact O-CG 3.43Å; L297-L301 PolarHBondContact O-N 3.34Å; C298-L301 PolarHBondContact O-N 3.43Å; L301-S303 PolarHBondContact O-N 3.26Å; L301-V304 WeakPolarHBondContact O-CB 3.4Å; L301-V304 PolarHBondContact O-N 3.17Å; L301-V304 VanDerWaalsContact O-N 3.11Å |
| 302 | M | 82.6 | Confident | 82.3 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 21% | 0.207 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.6 | -30.3 | 176.3 | -66 | -62.4 | 169.5 | 0 | 0 | 111.9 | I267 C298 M299 V304 L305 F306 L309 | I267-M302 HydrophobicContact CD1-CE 3.87Å; I267-M302 HydrophobicContact CD1-SD 4.04Å; C298-M302 VanDerWaalsContact O-CG 3.26Å; C298-M302 WeakPolarHBondContact O-CG 3.46Å; C298-M302 PolarHBondContact O-N 3.07Å; M299-M302 PolarHBondContact O-N 3.15Å; M302-V304 PolarHBondContact O-N 2.81Å; M302-L305 PolarHBondContact O-N 3.46Å; M302-L305 HydrophobicContact SD-CD1 4.24Å; M302-F306 WeakPolarHBondContact O-CB 3.38Å; M302-F306 PolarHBondContact O-N 3.34Å; M302-L309 HydrophobicContact CB-CD1 3.95Å |
| 303 | S | 86.5 | Confident | 83.3 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 13% | 0.126 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.5 | -23.6 | 175.7 | -171.6 | 0 | 0 | 0 | 0 | 114 | M299 G300 L301 F306 L310 | M299-S303 WeakPolarHBondContact O-CB 3.18Å; M299-S303 PolarHBondContact O-N 3.48Å; G300-S303 WeakPolarHBondContact O-CB 3.33Å; G300-S303 PolarHBondContact O-N 3.49Å; L301-S303 PolarHBondContact O-N 3.26Å; S303-F306 CarbonylContact O-C 3.47Å; S303-L310 WeakPolarHBondContact OG-CD2 3.27Å; S303-L310 WeakPolarHBondContact OG-CG 3.44Å |
| 304 | V | 85 | Confident | 84 | Confident | 121 Ų | 121 | 66.5 Ų | 66.5 | 73% | 0.733 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -74.7 | -37 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | G300 L301 M302 | G300-V304 PolarHBondContact O-N 3.03Å; L301-V304 WeakPolarHBondContact O-CB 3.4Å; L301-V304 PolarHBondContact O-N 3.17Å; L301-V304 VanDerWaalsContact O-N 3.11Å; M302-V304 PolarHBondContact O-N 2.81Å |
| 305 | L | 83.2 | Confident | 84.5 | Confident | 124 Ų | 124 | 65.9 Ų | 65.9 | 65% | 0.649 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -77.9 | -33 | 177.9 | -59.5 | 176.3 | 0 | 0 | 0 | 112.3 | M302 | M302-L305 PolarHBondContact O-N 3.46Å; M302-L305 HydrophobicContact SD-CD1 4.24Å |
| 306 | F | 84.2 | Confident | 84.9 | Confident | 75 Ų | 75 | 68 Ų | 68 | 33% | 0.329 | 39% | 0.387 | S | S | . | . | trans | -128.4 | 82.9 | -176.2 | -63 | -75.1 | 0 | 0 | 0 | 110 | C260 L263 M302 S303 C308 L309 | C260-F306 HydrophobicContact CB-CB 4.4Å; C260-F306 HydrophobicContact CB-CD1 4.43Å; L263-F306 HydrophobicContact CD1-CD1 4.24Å; L263-F306 HydrophobicContact CD1-CE1 3.74Å; L263-F306 HydrophobicContact CD1-CE2 4.37Å; L263-F306 HydrophobicContact CD1-CZ 3.82Å; M302-F306 WeakPolarHBondContact O-CB 3.38Å; M302-F306 PolarHBondContact O-N 3.34Å; S303-F306 CarbonylContact O-C 3.47Å; F306-C308 PolarHBondContact O-N 3.36Å; F306-C308 VanDerWaalsContact O-N 3.07Å; F306-L309 HydrophobicContact CB-CD1 3.8Å; F306-L309 HydrophobicContact CB-CG 4.03Å; F306-L309 WeakPolarHBondContact O-CB 3.24Å; F306-L309 PolarHBondContact O-N 3.45Å | ||
| 307 | P | 84.7 | Confident | 85.1 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 58% | 0.584 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -61.3 | -21.2 | -178.4 | 24.2 | -34.1 | 0 | 0 | 0 | 113.2 | L309 L310 | P307-L309 PolarHBondContact O-N 2.99Å; P307-L309 VanDerWaalsContact O-N 3.16Å; P307-L310 PolarHBondContact O-N 2.83Å; P307-L310 VanDerWaalsContact O-N 3.15Å |
| 308 | C | 86.7 | Confident | 85.4 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -53.1 | -27.9 | 170.3 | 44.6 | 0 | 0 | 0 | 0 | 113.5 | T259 C260 F306 L310 C311 | T259-C308 WeakPolarHBondContact CB-O 3.25Å; T259-C308 CarbonylContact O-C 3.35Å; C260-C308 HydrophobicContact CB-CB 4.34Å; C260-C308 WeakPolarHBondContact CB-SG 3.09Å; C260-C308 WeakPolarHBondContact SG-CB 3.43Å; C260-C308 CovalentContact SG-SG 2.07Å; C260-C308 PolarHBondContact SG-SG 3.15Å; F306-C308 PolarHBondContact O-N 3.36Å; F306-C308 VanDerWaalsContact O-N 3.07Å; C308-L310 VanDerWaalsContact C-N 3.32Å; C308-L310 PolarHBondContact O-N 3.21Å; C308-C311 WeakPolarHBondContact O-CB 3.25Å; C308-C311 PolarHBondContact O-N 3.32Å |
| 309 | L | 84.5 | Confident | 85.6 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -67.2 | -30.5 | 179.7 | -71 | 169.9 | 0 | 0 | 0 | 112.8 | T259 C260 M261 V264 M302 F306 P307 C311 Y312 P313 | T259-L309 WeakPolarHBondContact O-CA 3.42Å; T259-L309 VanDerWaalsContact O-CD2 3.25Å; T259-L309 WeakPolarHBondContact O-CD2 3.09Å; T259-L309 PolarHBondContact O-N 2.96Å; C260-L309 HydrophobicContact CB-CD2 4.44Å; M261-L309 HydrophobicContact CB-CD2 4.44Å; M261-L309 HydrophobicContact SD-CD2 4.46Å; V264-L309 HydrophobicContact CG2-CD1 3.68Å; V264-L309 HydrophobicContact CG2-CD2 3.59Å; V264-L309 HydrophobicContact CG2-CG 4.32Å; M302-L309 HydrophobicContact CB-CD1 3.95Å; F306-L309 HydrophobicContact CB-CD1 3.8Å; F306-L309 HydrophobicContact CB-CG 4.03Å; F306-L309 WeakPolarHBondContact O-CB 3.24Å; F306-L309 PolarHBondContact O-N 3.45Å; P307-L309 PolarHBondContact O-N 2.99Å; P307-L309 VanDerWaalsContact O-N 3.16Å; L309-C311 PolarHBondContact O-N 3.31Å; L309-Y312 VanDerWaalsContact O-CB 3.27Å; L309-Y312 WeakPolarHBondContact O-CB 3.48Å; L309-Y312 PolarHBondContact O-N 2.8Å; L309-P313 WeakPolarHBondContact O-CD 3.07Å |
| 310 | L | 84.2 | Confident | 85.9 | Confident | 117 Ų | 117 | 69.2 Ų | 69.2 | 61% | 0.613 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -66.1 | -24.8 | 175.8 | -64.4 | 176.9 | 0 | 0 | 0 | 112.1 | S303 P307 C308 Y312 P313 P314 | S303-L310 WeakPolarHBondContact OG-CD2 3.27Å; S303-L310 WeakPolarHBondContact OG-CG 3.44Å; P307-L310 PolarHBondContact O-N 2.83Å; P307-L310 VanDerWaalsContact O-N 3.15Å; C308-L310 VanDerWaalsContact C-N 3.32Å; C308-L310 PolarHBondContact O-N 3.21Å; L310-Y312 VanDerWaalsContact C-N 3.29Å; L310-P313 WeakPolarHBondContact O-CD 3.24Å; L310-P314 WeakPolarHBondContact O-CD 3.36Å |
| 311 | C | 87.6 | Confident | 86 | Confident | 66 Ų | 66 | 70.1 Ų | 70.1 | 45% | 0.446 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -78.3 | -14.7 | 175.2 | -56 | 0 | 0 | 0 | 0 | 112.1 | C308 L309 P314 V315 | C308-C311 WeakPolarHBondContact O-CB 3.25Å; C308-C311 PolarHBondContact O-N 3.32Å; L309-C311 PolarHBondContact O-N 3.31Å; C311-P314 WeakPolarHBondContact O-CD 3.33Å; C311-P314 WeakPolarHBondContact O-CG 3.14Å; C311-V315 HydrophobicContact CB-CG2 4.42Å; C311-V315 VanDerWaalsContact O-CB 3.25Å; C311-V315 WeakPolarHBondContact O-CB 3.44Å; C311-V315 WeakPolarHBondContact O-CG2 3.47Å; C311-V315 PolarHBondContact O-N 3.35Å; C311-V315 VanDerWaalsContact O-N 3.1Å |
| 312 | Y | 87.4 | Confident | 86 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 3% | 0.027 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.1 | -53.4 | -179.9 | 178.6 | -91.5 | 0 | 0 | 0 | 113.7 | L255 E256 T259 M261 L309 L310 K316 | L255-Y312 HydrophobicContact CD2-CD2 3.17Å; L255-Y312 HydrophobicContact CD2-CE2 3.15Å; L255-Y312 HydrophobicContact CD2-CG 4.27Å; L255-Y312 HydrophobicContact CG-CD2 4.4Å; E256-Y312 HydrophobicContact CG-CE2 4.28Å; T259-Y312 HydrophobicContact CG2-CD2 4.31Å; T259-Y312 VanDerWaalsContact OG1-CD2 3.25Å; T259-Y312 WeakPolarHBondContact OG1-CD2 3.46Å; M261-Y312 HydrophobicContact CB-CD2 3.65Å; M261-Y312 HydrophobicContact CB-CE2 3.69Å; M261-Y312 HydrophobicContact CB-CG 4.37Å; M261-Y312 HydrophobicContact CE-CD1 3.25Å; M261-Y312 HydrophobicContact CE-CD2 4.04Å; M261-Y312 HydrophobicContact CE-CE1 3.16Å; M261-Y312 HydrophobicContact CE-CE2 3.97Å; M261-Y312 HydrophobicContact CE-CG 3.68Å; M261-Y312 HydrophobicContact CG-CD2 3.9Å; M261-Y312 HydrophobicContact CG-CE1 4.44Å; M261-Y312 HydrophobicContact CG-CE2 3.52Å; M261-Y312 HydrophobicContact CG-CG 4.46Å; L309-Y312 VanDerWaalsContact O-CB 3.27Å; L309-Y312 WeakPolarHBondContact O-CB 3.48Å; L309-Y312 PolarHBondContact O-N 2.8Å; L310-Y312 VanDerWaalsContact C-N 3.29Å; Y312-K316 HydrophobicContact CD1-CD 4.31Å; Y312-K316 HydrophobicContact CE1-CD 3.46Å; Y312-K316 VanDerWaalsContact CE1-CD 3.46Å; Y312-K316 HydrophobicContact CE2-CD 4.24Å; Y312-K316 VanDerWaalsContact CZ-CD 3.46Å; Y312-K316 WeakPolarHBondContact O-CB 3.25Å; Y312-K316 PolarHBondContact O-N 3.18Å; Y312-K316 WeakPolarHBondContact OH-CD 3.49Å; Y312-K316 PolarHBondContact OH-NZ 3.26Å |
| 313 | P | 86.9 | Confident | 86.3 | Confident | 84 Ų | 84 | 68.7 Ų | 68.7 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.9 | -50.1 | 178.9 | -19.9 | 29.5 | 0 | 0 | 0 | 114.4 | L309 L310 G317 | L309-P313 WeakPolarHBondContact O-CD 3.07Å; L310-P313 WeakPolarHBondContact O-CD 3.24Å; P313-G317 PolarHBondContact O-N 3.09Å |
| 314 | P | 87.5 | Confident | 86.2 | Confident | 73 Ų | 73 | 69.3 Ų | 69.3 | 47% | 0.474 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | -178.8 | 25.1 | -32.5 | 0 | 0 | 0 | 111.5 | L310 C311 K316 G317 C318 | L310-P314 WeakPolarHBondContact O-CD 3.36Å; C311-P314 WeakPolarHBondContact O-CD 3.33Å; C311-P314 WeakPolarHBondContact O-CG 3.14Å; P314-K316 VanDerWaalsContact C-N 3.35Å; P314-K316 PolarHBondContact O-N 2.92Å; P314-G317 PolarHBondContact O-N 3.31Å; P314-C318 PolarHBondContact O-N 3.41Å; P314-C318 PolarHBondContact O-SG 3.29Å |
| 315 | V | 85.7 | Confident | 86.2 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 39% | 0.394 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.3 | -37.5 | -179 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | L255 C311 G317 C318 L319 | L255-V315 HydrophobicContact CD1-CB 3.92Å; L255-V315 HydrophobicContact CD1-CG1 3.51Å; L255-V315 HydrophobicContact CG-CG1 4.26Å; C311-V315 HydrophobicContact CB-CG2 4.42Å; C311-V315 VanDerWaalsContact O-CB 3.25Å; C311-V315 WeakPolarHBondContact O-CB 3.44Å; C311-V315 WeakPolarHBondContact O-CG2 3.47Å; C311-V315 PolarHBondContact O-N 3.35Å; C311-V315 VanDerWaalsContact O-N 3.1Å; V315-G317 VanDerWaalsContact C-N 3.34Å; V315-G317 PolarHBondContact O-N 3.46Å; V315-C318 WeakPolarHBondContact O-CB 3.45Å; V315-C318 PolarHBondContact O-N 3.49Å; V315-L319 WeakPolarHBondContact O-CG 3.25Å; V315-L319 PolarHBondContact O-N 3.43Å |
| 316 | K | 87.8 | Confident | 86.4 | Confident | 80 Ų | 80 | 65.4 Ų | 65.4 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 174.6 | -174.8 | 171.1 | -175.3 | 179.5 | 0 | 111.8 | L255 Y312 P314 L319 K320 | L255-K316 HydrophobicContact CD1-CB 4.09Å; Y312-K316 HydrophobicContact CD1-CD 4.31Å; Y312-K316 HydrophobicContact CE1-CD 3.46Å; Y312-K316 VanDerWaalsContact CE1-CD 3.46Å; Y312-K316 HydrophobicContact CE2-CD 4.24Å; Y312-K316 VanDerWaalsContact CZ-CD 3.46Å; Y312-K316 WeakPolarHBondContact O-CB 3.25Å; Y312-K316 PolarHBondContact O-N 3.18Å; Y312-K316 WeakPolarHBondContact OH-CD 3.49Å; Y312-K316 PolarHBondContact OH-NZ 3.26Å; P314-K316 VanDerWaalsContact C-N 3.35Å; P314-K316 PolarHBondContact O-N 2.92Å; K316-L319 PolarHBondContact O-N 2.89Å; K316-K320 PolarHBondContact O-N 2.84Å |
| 317 | G | 87.1 | Confident | 86.5 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P313 P314 V315 L319 K320 A321 | P313-G317 PolarHBondContact O-N 3.09Å; P314-G317 PolarHBondContact O-N 3.31Å; V315-G317 VanDerWaalsContact C-N 3.34Å; V315-G317 PolarHBondContact O-N 3.46Å; G317-L319 PolarHBondContact O-N 2.94Å; G317-K320 PolarHBondContact O-N 3.18Å; G317-A321 WeakPolarHBondContact O-CB 3.33Å; G317-A321 PolarHBondContact O-N 3.27Å |
| 318 | C | 86.9 | Confident | 86.4 | Confident | 76 Ų | 76 | 65 Ų | 65 | 51% | 0.514 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 175.2 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | P314 V315 K320 A321 C322 | P314-C318 PolarHBondContact O-N 3.41Å; P314-C318 PolarHBondContact O-SG 3.29Å; V315-C318 WeakPolarHBondContact O-CB 3.45Å; V315-C318 PolarHBondContact O-N 3.49Å; C318-K320 PolarHBondContact O-N 3.05Å; C318-A321 PolarHBondContact O-N 3.29Å; C318-C322 WeakPolarHBondContact O-CB 3.48Å; C318-C322 PolarHBondContact O-N 2.65Å; C318-C322 PolarHBondContact O-SG 3.28Å |
| 319 | L | 86.4 | Confident | 86.3 | Confident | 42 Ų | 42 | 69.7 Ų | 69.7 | 22% | 0.22 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 177.3 | -74.1 | -170.8 | 0 | 0 | 0 | 112.4 | A251 L255 V315 K316 G317 C322 Q323 | A251-L319 HydrophobicContact CB-CD1 4.15Å; A251-L319 HydrophobicContact CB-CD2 4.22Å; L255-L319 HydrophobicContact CB-CD1 4.02Å; L255-L319 HydrophobicContact CD1-CD1 3.39Å; L255-L319 HydrophobicContact CD1-CG 4.02Å; L255-L319 HydrophobicContact CG-CD1 4.32Å; V315-L319 WeakPolarHBondContact O-CG 3.25Å; V315-L319 PolarHBondContact O-N 3.43Å; K316-L319 PolarHBondContact O-N 2.89Å; G317-L319 PolarHBondContact O-N 2.94Å; L319-C322 PolarHBondContact O-N 3.48Å; L319-Q323 VanDerWaalsContact O-CB 3.29Å; L319-Q323 WeakPolarHBondContact O-CB 3.45Å; L319-Q323 PolarHBondContact O-N 3.21Å |
| 320 | K | 88.1 | Confident | 86.1 | Confident | 137 Ų | 137 | 72.9 Ų | 72.9 | 60% | 0.596 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.6 | -35.1 | 176.3 | -75.3 | -152.5 | 171 | 178.9 | 0 | 113 | K316 G317 C318 G324 | K316-K320 PolarHBondContact O-N 2.84Å; G317-K320 PolarHBondContact O-N 3.18Å; C318-K320 PolarHBondContact O-N 3.05Å; K320-G324 PolarHBondContact O-N 2.81Å |
| 321 | A | 87.8 | Confident | 86 | Confident | 58 Ų | 58 | 69.2 Ų | 69.2 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G317 C318 G324 C325 | G317-A321 WeakPolarHBondContact O-CB 3.33Å; G317-A321 PolarHBondContact O-N 3.27Å; C318-A321 PolarHBondContact O-N 3.29Å; A321-G324 CarbonylContact O-C 3.48Å; A321-G324 WeakPolarHBondContact O-CA 3.4Å; A321-G324 PolarHBondContact O-N 3.38Å; A321-C325 PolarHBondContact O-N 3.44Å; A321-C325 PolarHBondContact O-SG 2.88Å; A321-C325 VanDerWaalsContact O-SG 3.38Å |
| 322 | C | 85.6 | Confident | 85.7 | Confident | 71 Ų | 71 | 69.5 Ų | 69.5 | 48% | 0.48 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.8 | -69.4 | 0 | 0 | 0 | 0 | 112 | C318 L319 G324 C325 Y326 | C318-C322 WeakPolarHBondContact O-CB 3.48Å; C318-C322 PolarHBondContact O-N 2.65Å; C318-C322 PolarHBondContact O-SG 3.28Å; L319-C322 PolarHBondContact O-N 3.48Å; C322-G324 VanDerWaalsContact C-N 3.31Å; C322-G324 PolarHBondContact O-N 3.11Å; C322-C325 PolarHBondContact O-N 2.93Å; C322-Y326 VanDerWaalsContact O-CB 3.24Å; C322-Y326 WeakPolarHBondContact O-CB 3.3Å; C322-Y326 PolarHBondContact O-N 3.45Å |
| 323 | Q | 88.1 | Confident | 85.7 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 24% | 0.238 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 173.4 | -176.4 | 178.2 | 4 | 0 | 0 | 111 | L237 L319 Y326 D327 | L237-Q323 HydrophobicContact CD1-CB 4.14Å; L237-Q323 HydrophobicContact CG-CB 4.01Å; L237-Q323 HydrophobicContact CG-CG 4.26Å; L319-Q323 VanDerWaalsContact O-CB 3.29Å; L319-Q323 WeakPolarHBondContact O-CB 3.45Å; L319-Q323 PolarHBondContact O-N 3.21Å; Q323-Y326 PolarHBondContact O-N 3.4Å; Q323-D327 VanDerWaalsContact O-CB 3.31Å; Q323-D327 WeakPolarHBondContact O-CB 3.43Å; Q323-D327 PolarHBondContact O-N 2.87Å |
| 324 | G | 84.6 | Confident | 85.7 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.5 | -52.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K320 A321 C322 Y326 D327 R328 | K320-G324 PolarHBondContact O-N 2.81Å; A321-G324 CarbonylContact O-C 3.48Å; A321-G324 WeakPolarHBondContact O-CA 3.4Å; A321-G324 PolarHBondContact O-N 3.38Å; C322-G324 VanDerWaalsContact C-N 3.31Å; C322-G324 PolarHBondContact O-N 3.11Å; G324-Y326 VanDerWaalsContact C-N 3.35Å; G324-Y326 PolarHBondContact O-N 3.21Å; G324-D327 PolarHBondContact O-N 3.48Å; G324-R328 WeakPolarHBondContact O-CB 3.1Å; G324-R328 WeakPolarHBondContact O-CG 3.32Å; G324-R328 PolarHBondContact O-N 3.44Å |
| 325 | C | 85.9 | Confident | 85.7 | Confident | 84 Ų | 84 | 68 Ų | 68 | 57% | 0.568 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.4 | -42.7 | 176.8 | -70 | 0 | 0 | 0 | 0 | 112.2 | A321 C322 R328 V329 | A321-C325 PolarHBondContact O-N 3.44Å; A321-C325 PolarHBondContact O-SG 2.88Å; A321-C325 VanDerWaalsContact O-SG 3.38Å; C322-C325 PolarHBondContact O-N 2.93Å; C325-R328 WeakPolarHBondContact O-CB 3.45Å; C325-R328 PolarHBondContact O-N 3.28Å; C325-R328 VanDerWaalsContact O-N 3.15Å; C325-V329 WeakPolarHBondContact O-CG2 3.26Å; C325-V329 PolarHBondContact O-N 3.31Å |
| 326 | Y | 86.1 | Confident | 85.7 | Confident | 79 Ų | 79 | 67.1 Ų | 67.1 | 31% | 0.31 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 177.2 | -178.9 | -101.1 | 0 | 0 | 0 | 111.5 | R235 L237 C322 Q323 G324 R328 V329 N330 | R235-Y326 HydrophobicContact CB-CD1 4.44Å; R235-Y326 HydrophobicContact CB-CE1 4.2Å; L237-Y326 HydrophobicContact CD2-CD1 4.37Å; L237-Y326 HydrophobicContact CD2-CG 4.18Å; C322-Y326 VanDerWaalsContact O-CB 3.24Å; C322-Y326 WeakPolarHBondContact O-CB 3.3Å; C322-Y326 PolarHBondContact O-N 3.45Å; Q323-Y326 PolarHBondContact O-N 3.4Å; G324-Y326 VanDerWaalsContact C-N 3.35Å; G324-Y326 PolarHBondContact O-N 3.21Å; Y326-R328 VanDerWaalsContact C-N 3.27Å; Y326-R328 PolarHBondContact O-N 2.83Å; Y326-V329 PolarHBondContact O-N 3.48Å; Y326-N330 HydrophobicContact CD2-CB 4.47Å; Y326-N330 HydrophobicContact CE1-CB 4.26Å; Y326-N330 HydrophobicContact CE2-CB 4.14Å; Y326-N330 VanDerWaalsContact O-CB 3.3Å; Y326-N330 WeakPolarHBondContact O-CB 3.23Å; Y326-N330 PolarHBondContact O-N 2.86Å; Y326-N330 PolarHBondContact OH-ND2 3.34Å |
| 327 | D | 86.9 | Confident | 85.5 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 9% | 0.086 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60 | -39.5 | 172.8 | 177.6 | 66 | 0 | 0 | 0 | 111.4 | P234 R235 Q323 G324 V329 R331 | P234-D327 VanDerWaalsContact CA-OD1 3.24Å; P234-D327 WeakPolarHBondContact CA-OD1 3.46Å; R235-D327 PolarHBondContact N-OD1 3.06Å; Q323-D327 VanDerWaalsContact O-CB 3.31Å; Q323-D327 WeakPolarHBondContact O-CB 3.43Å; Q323-D327 PolarHBondContact O-N 2.87Å; G324-D327 PolarHBondContact O-N 3.48Å; D327-V329 VanDerWaalsContact C-N 3.28Å; D327-V329 PolarHBondContact O-N 3.35Å; D327-R331 WeakPolarHBondContact O-CB 3.32Å; D327-R331 PolarHBondContact O-N 3.06Å; D327-R331 VanDerWaalsContact O-N 3.12Å; D327-R331 IonicContact OD1-CZ 3.95Å; D327-R331 IonicContact OD1-NE 2.77Å; D327-R331 PolarHBondContact OD1-NE 3.49Å; D327-R331 IonicContact OD1-NH1 3.4Å; D327-R331 IonicContact OD2-CZ 2.64Å; D327-R331 IonicContact OD2-NE 2.92Å; D327-R331 IonicContact OD2-NH1 3.51Å; D327-R331 PolarHBondContact OD2-NH1 2.88Å |
| 328 | R | 83.3 | Confident | 85.2 | Confident | 140 Ų | 140 | 77.2 Ų | 77.2 | 53% | 0.528 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.1 | -34.2 | 179.7 | -67.9 | -79.3 | -174.1 | -145.7 | 7.2 | 112.7 | G324 C325 Y326 R335 | G324-R328 WeakPolarHBondContact O-CB 3.1Å; G324-R328 WeakPolarHBondContact O-CG 3.32Å; G324-R328 PolarHBondContact O-N 3.44Å; C325-R328 WeakPolarHBondContact O-CB 3.45Å; C325-R328 PolarHBondContact O-N 3.28Å; C325-R328 VanDerWaalsContact O-N 3.15Å; Y326-R328 VanDerWaalsContact C-N 3.27Å; Y326-R328 PolarHBondContact O-N 2.83Å; R328-R335 VanDerWaalsContact NH1-CZ 3.33Å; R328-R335 PolarHBondContact O-NH1 2.92Å; R328-R335 VanDerWaalsContact O-NH1 3.12Å |
| 329 | V | 83.6 | Confident | 84.9 | Confident | 129 Ų | 129 | 74.2 Ų | 74.2 | 78% | 0.782 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -90.5 | -45.4 | -177 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | C325 Y326 D327 | C325-V329 WeakPolarHBondContact O-CG2 3.26Å; C325-V329 PolarHBondContact O-N 3.31Å; Y326-V329 PolarHBondContact O-N 3.48Å; D327-V329 VanDerWaalsContact C-N 3.28Å; D327-V329 PolarHBondContact O-N 3.35Å |
| 330 | N | 80.1 | Confident | 84.8 | Confident | 82 Ų | 82 | 77.7 Ų | 77.7 | 44% | 0.439 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -94.7 | -6.8 | -169.9 | -163.1 | 50 | 0 | 0 | 0 | 114 | Y326 P332 | Y326-N330 HydrophobicContact CD2-CB 4.47Å; Y326-N330 HydrophobicContact CE1-CB 4.26Å; Y326-N330 HydrophobicContact CE2-CB 4.14Å; Y326-N330 VanDerWaalsContact O-CB 3.3Å; Y326-N330 WeakPolarHBondContact O-CB 3.23Å; Y326-N330 PolarHBondContact O-N 2.86Å; Y326-N330 PolarHBondContact OH-ND2 3.34Å; N330-P332 VanDerWaalsContact O-CD 3.29Å; N330-P332 WeakPolarHBondContact O-CD 3.36Å |
| 331 | R | 83.2 | Confident | 84.6 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 15% | 0.151 | 40% | 0.4 | C | S | . | . | trans | -70.4 | 120.5 | 177.9 | -175 | -174.8 | -112.6 | 157.7 | -20.2 | 110.4 | C231 T232 A233 P234 D327 G333 | C231-R331 WeakPolarHBondContact O-CG 3.45Å; T232-R331 PolarHBondContact O-NE 3.23Å; T232-R331 PolarHBondContact O-NH2 3.25Å; A233-R331 VanDerWaalsContact C-NH2 3.34Å; A233-R331 PolarHBondContact O-NE 3.28Å; P234-R331 VanDerWaalsContact CA-NH2 3.28Å; D327-R331 WeakPolarHBondContact O-CB 3.32Å; D327-R331 PolarHBondContact O-N 3.06Å; D327-R331 VanDerWaalsContact O-N 3.12Å; D327-R331 IonicContact OD1-CZ 3.95Å; D327-R331 IonicContact OD1-NE 2.77Å; D327-R331 PolarHBondContact OD1-NE 3.49Å; D327-R331 IonicContact OD1-NH1 3.4Å; D327-R331 IonicContact OD2-CZ 2.64Å; D327-R331 IonicContact OD2-NE 2.92Å; D327-R331 IonicContact OD2-NH1 3.51Å; D327-R331 PolarHBondContact OD2-NH1 2.88Å; R331-G333 VanDerWaalsContact C-N 3.34Å; R331-G333 PolarHBondContact O-N 2.95Å | ||
| 332 | P | 81.3 | Confident | 84.5 | Confident | 72 Ų | 72 | 74.5 Ų | 74.5 | 47% | 0.468 | 40% | 0.395 | S | S | . | . | trans | -76.3 | -21.3 | -176.6 | 29.7 | -34.2 | 0 | 0 | 0 | 113.1 | N330 | N330-P332 VanDerWaalsContact O-CD 3.29Å; N330-P332 WeakPolarHBondContact O-CD 3.36Å | ||
| 333 | G | 86.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -81.6 | 173.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | K225 C226 C231 R331 | K225-G333 WeakPolarHBondContact CD-O 3.33Å; C226-G333 CarbonylContact O-C 3.49Å; C226-G333 WeakPolarHBondContact O-CA 3.15Å; C231-G333 VanDerWaalsContact O-CA 3.22Å; C231-G333 WeakPolarHBondContact O-CA 3.38Å; C231-G333 PolarHBondContact O-N 3.45Å; R331-G333 VanDerWaalsContact C-N 3.34Å; R331-G333 PolarHBondContact O-N 2.95Å |
| 334 | C | 88.5 | Confident | 83.6 | Confident | 13 Ų | 13 | 77 Ų | 77 | 9% | 0.088 | 40% | 0.401 | C | S | . | . | trans | -69 | 146.1 | 177.4 | 173 | 0 | 0 | 0 | 0 | 112.3 | C220 K225 C226 K227 C336 | C220-C334 HydrophobicContact CB-CB 3.7Å; C220-C334 WeakPolarHBondContact CB-SG 3.33Å; C220-C334 PolarHBondContact SG-SG 3.49Å; K225-C334 HydrophobicContact CB-CB 4.03Å; C226-C334 PolarHBondContact O-N 3.47Å; K227-C334 HydrophobicContact CG-CB 3.62Å; C334-C336 PolarHBondContact SG-N 3.32Å | ||
| 335 | R | 85.9 | Confident | 82.8 | Confident | 121 Ų | 121 | 82.7 Ų | 82.7 | 46% | 0.457 | 42% | 0.416 | S | S | . | . | trans | -125.3 | 6 | 177.8 | -65.8 | 177.3 | 52.9 | -155.1 | -17.6 | 113.9 | R328 K337 | R328-R335 VanDerWaalsContact NH1-CZ 3.33Å; R328-R335 PolarHBondContact O-NH1 2.92Å; R328-R335 VanDerWaalsContact O-NH1 3.12Å; R335-K337 PolarHBondContact O-N 3.31Å | ||
| 336 | C | 87.4 | Confident | 81.5 | Confident | 45 Ų | 45 | 86.2 Ų | 86.2 | 30% | 0.304 | 43% | 0.429 | S | S | . | . | trans | -73.5 | 121.3 | -177.8 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | C334 N338 S339 | C334-C336 PolarHBondContact SG-N 3.32Å; C336-N338 PolarHBondContact O-N 2.68Å; C336-S339 WeakPolarHBondContact CB-OG 3.32Å; C336-S339 PolarHBondContact O-OG 3.49Å | ||
| 337 | K | 82.9 | Confident | 79.7 | Confident | 201 Ų | 201 | 89.9 Ų | 89.9 | 87% | 0.874 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -28.7 | -173.8 | -71.8 | -178.1 | 176.5 | -177.4 | 0 | 114.5 | R335 | R335-K337 PolarHBondContact O-N 3.31Š|
| 338 | N | 79.5 | Confident | 77.8 | Confident | 133 Ų | 133 | 94.5 Ų | 94.5 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.1 | 35 | -174.9 | -65.3 | -11 | 0 | 0 | 0 | 113.7 | R222 C336 | R222-N338 VanDerWaalsContact NH2-C 3.31Å; R222-N338 PolarHBondContact NH2-O 2.95Å; C336-N338 PolarHBondContact O-N 2.68Å |
| 339 | S | 81.4 | Confident | 75.8 | Confident | 13 Ų | 13 | 99.2 Ų | 99.2 | 9% | 0.091 | 50% | 0.501 | C | S | . | . | trans | -87.5 | 140.2 | -177.6 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | C220 K227 C336 | C220-S339 WeakPolarHBondContact SG-CB 3.36Å; C220-S339 PolarHBondContact SG-OG 3.4Å; K227-S339 WeakPolarHBondContact CE-OG 3.3Å; K227-S339 PolarHBondContact NZ-O 2.67Å; K227-S339 PolarHBondContact NZ-OG 2.87Å; C336-S339 WeakPolarHBondContact CB-OG 3.32Å; C336-S339 PolarHBondContact O-OG 3.49Å | ||
| 340 | N | 83.5 | Confident | 73.8 | Confident | 114 Ų | 114 | 96.8 Ų | 96.8 | 61% | 0.61 | 49% | 0.494 | S | S | * | . | trans | -63.4 | 154.5 | 163.2 | -72.1 | -27.5 | 0 | 0 | 0 | 110.3 | E221 | E221-N340 HydrophobicContact CG-CB 4.28Å; E221-N340 PolarHBondContact N-O 3.29Å; E221-N340 VanDerWaalsContact N-O 3.15Å; E221-N340 VanDerWaalsContact OE2-CB 3.25Å; E221-N340 WeakPolarHBondContact OE2-CB 3.39Å | ||
| 341 | T | 85.8 | Confident | 72 | Confident | 65 Ų | 65 | 98.3 Ų | 98.3 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.1 | -177 | -51.9 | 0 | 0 | 0 | 0 | 108.1 | F218 I219 K227 | F218-T341 HydrophobicContact CB-CG2 3.63Å; F218-T341 HydrophobicContact CD1-CG2 3.89Å; F218-T341 HydrophobicContact CG-CG2 4.25Å; I219-T341 CarbonylContact O-C 3.46Å; I219-T341 WeakPolarHBondContact O-CA 3.31Å; K227-T341 HydrophobicContact CD-CG2 3.89Å; K227-T341 WeakPolarHBondContact CD-OG1 3.38Å; K227-T341 PolarHBondContact NZ-OG1 3.15Å |
| 342 | V | 83.7 | Confident | 70.1 | Confident | 64 Ų | 64 | 105.3 Ų | 105.3 | 39% | 0.388 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 140.4 | 170.8 | -161.1 | 0 | 0 | 0 | 0 | 108.9 | I219 E221 | I219-V342 PolarHBondContact N-O 2.63Å; I219-V342 PolarHBondContact O-N 3.38Å; E221-V342 HydrophobicContact CB-CG2 4.4Å; E221-V342 HydrophobicContact CG-CG2 3.11Å; E221-V342 WeakPolarHBondContact OE1-CG2 3.3Å |
| 343 | Y | 82.1 | Confident | 68.2 | Low | 119 Ų | 119 | 107.1 Ų | 107.1 | 47% | 0.467 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.6 | 109.5 | 167.3 | -176.4 | -97.7 | 0 | 0 | 0 | 109.5 | Q217 F218 K345 | Q217-Y343 HydrophobicContact CB-CD2 3.96Å; Q217-Y343 HydrophobicContact CB-CE2 3.6Å; Q217-Y343 VanDerWaalsContact CD-OH 3.28Å; Q217-Y343 HydrophobicContact CG-CE2 4.25Å; Q217-Y343 CarbonylContact O-C 3.6Å; Q217-Y343 WeakPolarHBondContact O-CA 3.44Å; Q217-Y343 PolarHBondContact OE1-OH 3.48Å; F218-Y343 HydrophobicContact CE1-CD2 4.24Å; Y343-K345 HydrophobicContact CD1-CB 4.08Å; Y343-K345 HydrophobicContact CE1-CB 3.78Å; Y343-K345 HydrophobicContact CE1-CG 4.21Å; Y343-K345 PolarHBondContact O-N 3.44Å |
| 344 | C | 73.4 | Confident | 66.2 | Low | 55 Ų | 55 | 115.8 Ų | 115.8 | 37% | 0.372 | 60% | 0.597 | S | S | . | * | trans | -80.6 | 96.3 | 170.4 | -75.2 | 0 | 0 | 0 | 0 | 108.9 | Q217 I219 L346 | Q217-C344 PolarHBondContact O-N 3.24Å; I219-C344 HydrophobicContact CG1-CB 4.15Å; I219-C344 VanDerWaalsContact CG1-SG 3.52Å; C344-L346 PolarHBondContact O-N 3.39Å | ||
| 345 | K | 67.4 | Low | 64.1 | Low | 151 Ų | 151 | 124.3 Ų | 124.3 | 66% | 0.657 | 64% | 0.636 | S | S | * | * | trans | -73.8 | 102.2 | 163.3 | -164.8 | 178.1 | -177.7 | -174.9 | 0 | 106.9 | Y343 E347 | Y343-K345 HydrophobicContact CD1-CB 4.08Å; Y343-K345 HydrophobicContact CE1-CB 3.78Å; Y343-K345 HydrophobicContact CE1-CG 4.21Å; Y343-K345 PolarHBondContact O-N 3.44Å; K345-E347 PolarHBondContact O-N 3.36Å | ||
| 346 | L | 59.1 | Low | 62 | Low | 159 Ų | 159 | 127.2 Ų | 127.2 | 83% | 0.832 | 65% | 0.652 | S | S | * | * | trans | -65.4 | 94.7 | 165 | -118.4 | 85.9 | 0 | 0 | 0 | 106.2 | C344 S348 | C344-L346 PolarHBondContact O-N 3.39Å; L346-S348 PolarHBondContact O-N 2.98Å; L346-S348 VanDerWaalsContact O-N 3.07Å | ||
| 347 | E | 47.7 | Very low | 60.4 | Low | 156 Ų | 156 | 130.7 Ų | 130.7 | 73% | 0.729 | 67% | 0.674 | S | S | * | * | trans | -65.7 | 108 | 163.4 | -75.7 | -173.2 | 149 | 0 | 0 | 106.3 | K345 W349 | K345-E347 PolarHBondContact O-N 3.36Å; E347-W349 PolarHBondContact O-N 3.02Å | ||
| 348 | S | 47 | Very low | 58.8 | Low | 113 Ų | 113 | 129.9 Ų | 129.9 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | trans | -56.8 | 103.2 | 168.8 | 50.7 | 0 | 0 | 0 | 0 | 107.4 | L346 A350 | L346-S348 PolarHBondContact O-N 2.98Å; L346-S348 VanDerWaalsContact O-N 3.07Å; S348-A350 VanDerWaalsContact C-N 3.32Å; S348-A350 PolarHBondContact O-N 3.35Å | ||
| 349 | W | 42.4 | Very low | 57.7 | Low | 239 Ų | 239 | 129.8 Ų | 129.8 | 91% | 0.905 | 69% | 0.693 | S | S | * | * | trans | -62.6 | 96.1 | 172.8 | -166.8 | -80.5 | 0 | 0 | 0 | 107.8 | E347 P351 | E347-W349 PolarHBondContact O-N 3.02Å; W349-P351 WeakPolarHBondContact O-CD 3.25Å | ||
| 350 | A | 42 | Very low | 56.5 | Low | 77 Ų | 77 | 135.9 Ų | 135.9 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | -64.9 | 125.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | S348 Q352 | S348-A350 VanDerWaalsContact C-N 3.32Å; S348-A350 PolarHBondContact O-N 3.35Å; A350-Q352 PolarHBondContact O-N 3Å | ||
| 351 | P | 42.4 | Very low | 55 | Low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | trans | -61.6 | 109.9 | 169.6 | 24.2 | -29.3 | 0 | 0 | 0 | 107 | W349 S353 | W349-P351 WeakPolarHBondContact O-CD 3.25Å; P351-S353 VanDerWaalsContact C-N 3.29Å; P351-S353 PolarHBondContact O-N 3.47Å | ||
| 352 | Q | 42.8 | Very low | 53.2 | Low | 187 Ų | 187 | 141.4 Ų | 141.4 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -57.8 | 99.8 | 164.9 | -101.7 | -168.9 | -4 | 0 | 0 | 106.7 | A350 Q354 | A350-Q352 PolarHBondContact O-N 3Å; Q352-Q354 PolarHBondContact O-N 3.19Å; Q352-Q354 VanDerWaalsContact O-N 3.09Å | ||
| 353 | S | 41.7 | Very low | 51.3 | Low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -60.7 | 110.3 | 157.8 | 50.6 | 0 | 0 | 0 | 0 | 106.1 | P351 E355 | P351-S353 VanDerWaalsContact C-N 3.29Å; P351-S353 PolarHBondContact O-N 3.47Å; S353-E355 PolarHBondContact O-N 3.12Å; S353-E355 VanDerWaalsContact O-N 3.11Å | ||
| 354 | Q | 42.9 | Very low | 49.2 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -48.5 | 117.3 | 171.3 | -81.5 | -163.8 | -20.3 | 0 | 0 | 109.6 | Q352 K356 | Q352-Q354 PolarHBondContact O-N 3.19Å; Q352-Q354 VanDerWaalsContact O-N 3.09Å; Q354-K356 PolarHBondContact O-N 3.4Å | ||
| 355 | E | 45.1 | Very low | 47.5 | Very low | 193 Ų | 193 | 154.6 Ų | 154.6 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -62.6 | 115.9 | 153.8 | -87.6 | -170.9 | 93.4 | 0 | 0 | 107.4 | S353 | S353-E355 PolarHBondContact O-N 3.12Å; S353-E355 VanDerWaalsContact O-N 3.11Å | ||
| 356 | K | 42.8 | Very low | 46 | Very low | 181 Ų | 181 | 154.9 Ų | 154.9 | 79% | 0.787 | 84% | 0.837 | S | S | * | * | trans | -83.9 | 121.4 | 170.2 | -172.7 | 175.9 | -176.2 | -179.5 | 0 | 107.5 | Q354 | Q354-K356 PolarHBondContact O-N 3.4Š| ||
| 357 | P | 53.2 | Low | 44.9 | Very low | 119 Ų | 119 | 154.6 Ų | 154.6 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | trans | -76.8 | 131.1 | 170.5 | 30 | -29.1 | 0 | 0 | 0 | 109.2 | ||||
| 358 | S | 48.3 | Very low | 44.6 | Very low | 184 Ų | 184 | 154.5 Ų | 154.5 | 100% | 1.287 | 85% | 0.847 | S | S | * | * | trans | -149.1 | 0 | 157.8 | -75.3 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 358 of 358 residues in 453.2 ms
(Link to these results)