| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.9 | Very low | 37.5 | Very low | 229 Ų | 229 | 144.2 Ų | 144.2 | 100% | 1.128 | 83% | 0.829 | S | S | * | * | 0 | 118 | 0 | -69.2 | -179.5 | 78.9 | 0 | 0 | 107.6 | |||||
| 2 | V | 38 | Very low | 36.9 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 70% | 0.697 | 83% | 0.825 | S | S | * | * | cis | -148.7 | 114.7 | -7.8 | -82.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 3 | D | 38.2 | Very low | 37.9 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | 95.1 | 150.8 | 89.5 | -78.2 | -68.7 | 0 | 0 | 0 | 113.8 | |||||
| 4 | N | 36.8 | Very low | 37.7 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | 65.5 | 121.7 | -172.6 | -152.2 | 4.7 | 0 | 0 | 0 | 115.7 | ||||
| 5 | S | 41.3 | Very low | 37.4 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -102.7 | 143.2 | -165.6 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 6 | S | 38.1 | Very low | 37.2 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -143.5 | 165.3 | -179.3 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 7 | S | 39.1 | Very low | 37 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | 86.5 | 110.6 | 155.1 | -145.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 8 | S | 37.1 | Very low | 36.7 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | 47.6 | 129.6 | 117.9 | -35.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 9 | K | 34.5 | Very low | 37.1 | Very low | 212 Ų | 212 | 140.2 Ų | 140.2 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | -167.1 | 161.5 | 101.9 | -154.2 | 160.2 | 178.5 | 177.1 | 0 | 111 | |||||
| 10 | A | 37.8 | Very low | 36.6 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -110.6 | 159.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 11 | Q | 30.2 | Very low | 36.5 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -157.1 | 117.4 | 157.4 | -145.3 | 151.2 | -28.4 | 0 | 0 | 116.6 | ||||
| 12 | M | 30.6 | Very low | 36.1 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | trans | 57.5 | 148 | 142.3 | -60.3 | -63.4 | -80 | 0 | 0 | 124.4 | ||||
| 13 | P | 50.7 | Low | 35.8 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 47% | 0.474 | 79% | 0.789 | S | S | . | * | trans | -98.9 | 177.5 | 169 | 41.2 | -36.2 | 0 | 0 | 0 | 113.7 | T592 | P13-T592 HydrophobicContact CG-CG2 4.11Š| ||
| 14 | S | 34 | Very low | 36.1 | Very low | 120 Ų | 120 | 134 Ų | 134 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -140 | 171.1 | 170.3 | -166 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 15 | M | 33.4 | Very low | 36 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 67% | 0.665 | 79% | 0.789 | S | S | * | * | trans | -134.6 | 159 | -164.1 | -55.4 | -173.7 | 73.3 | 0 | 0 | 115 | ||||
| 16 | S | 35.2 | Very low | 36.1 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 62.1 | 119.2 | 149.6 | -57.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 17 | Q | 32.4 | Very low | 36.2 | Very low | 196 Ų | 196 | 136 Ų | 136 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -152.7 | 126.3 | 134.9 | -159.3 | 145.1 | 86.2 | 0 | 0 | 112.7 | ||||
| 18 | E | 32.8 | Very low | 36.3 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -108.5 | 173.1 | 160.7 | -106.2 | -88.7 | 116.5 | 0 | 0 | 106.3 | ||||
| 19 | P | 43.4 | Very low | 36.9 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | cis | -137.2 | 177 | 18.3 | 41.4 | -22.7 | 0 | 0 | 0 | 117.4 | ||||
| 20 | G | 28.2 | Very low | 37.7 | Very low | 59 Ų | 59 | 132 Ų | 132 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | trans | -166.5 | 46.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 21 | V | 34.3 | Very low | 38.2 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 92% | 0.915 | 79% | 0.794 | S | S | * | * | trans | 10.3 | 114.3 | 161.4 | -74.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 22 | A | 32.4 | Very low | 39.9 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -160.6 | 160.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 23 | F | 32 | Very low | 41.9 | Very low | 207 Ų | 207 | 129.4 Ų | 129.4 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | trans | -79.8 | 157.2 | 179.1 | -91.9 | -109.1 | 0 | 0 | 0 | 113.5 | ||||
| 24 | P | 43.9 | Very low | 43.1 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -74.4 | 134.2 | 175.7 | 31.1 | -34.8 | 0 | 0 | 0 | 112.2 | ||||
| 25 | Q | 35.6 | Very low | 45.1 | Very low | 187 Ų | 187 | 132.2 Ų | 132.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -105.8 | 132.3 | 171.9 | -164.8 | 174.3 | 25.6 | 0 | 0 | 110.6 | T27 | Q25-T27 PolarHBondContact O-N 3.42Š| ||
| 26 | S | 43.3 | Very low | 47.6 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -75.2 | 119.6 | -178.1 | 52 | 0 | 0 | 0 | 0 | 112.4 | S28 | S26-S28 PolarHBondContact O-N 3.06Š| ||
| 27 | T | 39.8 | Very low | 49.9 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -87 | 106.3 | 172.4 | 40.7 | 0 | 0 | 0 | 0 | 111.4 | Q25 T29 | Q25-T27 PolarHBondContact O-N 3.42Å; T27-T29 PolarHBondContact O-N 3.2Å | ||
| 28 | S | 40.1 | Very low | 52.4 | Low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -67.3 | 125.9 | 174.3 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | S26 G30 | S26-S28 PolarHBondContact O-N 3.06Å; S28-G30 PolarHBondContact O-N 3Å | ||
| 29 | T | 50.6 | Low | 55.1 | Low | 155 Ų | 155 | 120.3 Ų | 120.3 | 95% | 0.951 | 73% | 0.726 | S | S | * | * | trans | -80.4 | 58.6 | 173.2 | 41.3 | 0 | 0 | 0 | 0 | 112.1 | T27 | T27-T29 PolarHBondContact O-N 3.2Š| ||
| 30 | G | 50.3 | Low | 57.4 | Low | 68 Ų | 68 | 120.7 Ų | 120.7 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | -112.8 | 101.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S28 | S28-G30 PolarHBondContact O-N 3Š| ||
| 31 | G | 48.7 | Very low | 60.4 | Low | 73 Ų | 73 | 122.1 Ų | 122.1 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | trans | 165 | 60.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116 | K33 | G31-K33 PolarHBondContact O-N 3.32Š| ||
| 32 | M | 66.6 | Low | 63.2 | Low | 159 Ų | 159 | 120.6 Ų | 120.6 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | trans | -68.4 | 119 | 165 | -72.6 | -172.8 | 175.4 | 0 | 0 | 109.4 | L34 V37 | M32-L34 PolarHBondContact O-N 3.33Å; M32-V37 HydrophobicContact CB-CG2 4.1Å | ||
| 33 | K | 72.8 | Confident | 66.1 | Low | 144 Ų | 144 | 123.6 Ų | 123.6 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | trans | -57.1 | 130.2 | -178.9 | -162.6 | -173 | -176.6 | -158.1 | 0 | 109.6 | G31 E35 A36 V37 | G31-K33 PolarHBondContact O-N 3.32Å; K33-E35 HydrophobicContact CD-CB 4.49Å; K33-E35 WeakPolarHBondContact CD-OE2 3.44Å; K33-E35 VanDerWaalsContact CE-OE2 3.25Å; K33-E35 WeakPolarHBondContact CE-OE2 3.49Å; K33-E35 HydrophobicContact CG-CB 4.48Å; K33-E35 IonicContact NZ-OE2 2.89Å; K33-E35 PolarHBondContact NZ-OE2 3.21Å; K33-E35 PolarHBondContact O-N 3.41Å; K33-A36 WeakPolarHBondContact O-CB 3.49Å; K33-A36 PolarHBondContact O-N 3.05Å; K33-V37 PolarHBondContact O-N 2.99Å | ||
| 34 | L | 76.3 | Confident | 68.9 | Low | 129 Ų | 129 | 119.8 Ų | 119.8 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -50.5 | -38.3 | -172.9 | -179.7 | 62.1 | 0 | 0 | 0 | 113.6 | M32 A36 V37 M38 | M32-L34 PolarHBondContact O-N 3.33Å; L34-A36 PolarHBondContact O-N 3.41Å; L34-V37 WeakPolarHBondContact O-CB 3.38Å; L34-V37 PolarHBondContact O-N 2.93Å; L34-V37 VanDerWaalsContact O-N 3.14Å; L34-M38 HydrophobicContact CG-SD 4.4Å; L34-M38 WeakPolarHBondContact O-CG 3.44Å; L34-M38 PolarHBondContact O-N 3.3Å |
| 35 | E | 76.1 | Confident | 71.1 | Confident | 122 Ų | 122 | 119.3 Ų | 119.3 | 57% | 0.57 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -52.4 | -46.7 | 173.4 | -175.4 | 174.8 | -139.2 | 0 | 0 | 113.3 | K33 M38 E39 | K33-E35 HydrophobicContact CD-CB 4.49Å; K33-E35 WeakPolarHBondContact CD-OE2 3.44Å; K33-E35 VanDerWaalsContact CE-OE2 3.25Å; K33-E35 WeakPolarHBondContact CE-OE2 3.49Å; K33-E35 HydrophobicContact CG-CB 4.48Å; K33-E35 IonicContact NZ-OE2 2.89Å; K33-E35 PolarHBondContact NZ-OE2 3.21Å; K33-E35 PolarHBondContact O-N 3.41Å; E35-M38 PolarHBondContact O-N 2.94Å; E35-E39 PolarHBondContact O-N 3.27Å |
| 36 | A | 84 | Confident | 73.8 | Confident | 52 Ų | 52 | 115.9 Ų | 115.9 | 43% | 0.43 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.3 | -31.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K33 L34 Q40 | K33-A36 WeakPolarHBondContact O-CB 3.49Å; K33-A36 PolarHBondContact O-N 3.05Å; L34-A36 PolarHBondContact O-N 3.41Å; A36-Q40 WeakPolarHBondContact O-CB 3.31Å; A36-Q40 PolarHBondContact O-N 3.29Å |
| 37 | V | 83.6 | Confident | 76.1 | Confident | 70 Ų | 70 | 112.9 Ų | 112.9 | 42% | 0.424 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.3 | -39.7 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | M32 K33 L34 L41 | M32-V37 HydrophobicContact CB-CG2 4.1Å; K33-V37 PolarHBondContact O-N 2.99Å; L34-V37 WeakPolarHBondContact O-CB 3.38Å; L34-V37 PolarHBondContact O-N 2.93Å; L34-V37 VanDerWaalsContact O-N 3.14Å; V37-L41 VanDerWaalsContact O-CB 3.3Å; V37-L41 WeakPolarHBondContact O-CB 3.24Å; V37-L41 PolarHBondContact O-N 3.25Å |
| 38 | M | 85.7 | Confident | 78.4 | Confident | 124 Ų | 124 | 114.9 Ų | 114.9 | 61% | 0.611 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.8 | -45.5 | 174.8 | -70.6 | 179.2 | 64.9 | 0 | 0 | 112.2 | L34 E35 L41 Q42 | L34-M38 HydrophobicContact CG-SD 4.4Å; L34-M38 WeakPolarHBondContact O-CG 3.44Å; L34-M38 PolarHBondContact O-N 3.3Å; E35-M38 PolarHBondContact O-N 2.94Å; M38-L41 PolarHBondContact O-N 2.97Å; M38-Q42 WeakPolarHBondContact O-CB 3.47Å; M38-Q42 PolarHBondContact O-N 3.26Å |
| 39 | E | 90.3 | Very high | 81 | Confident | 111 Ų | 111 | 113.8 Ų | 113.8 | 52% | 0.519 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.2 | -46.5 | 175.3 | -165.4 | -158.7 | 139.4 | 0 | 0 | 110.9 | E35 L41 Q42 R43 | E35-E39 PolarHBondContact O-N 3.27Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.13Å; E39-Q42 PolarHBondContact O-N 3.2Å; E39-R43 VanDerWaalsContact O-CB 3.23Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 3.45Å; E39-R43 IonicContact OE1-NH1 2.65Å; E39-R43 PolarHBondContact OE1-NH1 3.11Å |
| 40 | Q | 90.7 | Very high | 83 | Confident | 127 Ų | 127 | 111.6 Ų | 111.6 | 59% | 0.593 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.2 | -37.9 | 179.4 | -175.6 | 168.6 | -24.1 | 0 | 0 | 112.2 | A36 Q44 | A36-Q40 WeakPolarHBondContact O-CB 3.31Å; A36-Q40 PolarHBondContact O-N 3.29Å; Q40-Q44 VanDerWaalsContact O-CB 3.27Å; Q40-Q44 WeakPolarHBondContact O-CB 3.22Å; Q40-Q44 PolarHBondContact O-N 2.97Å |
| 41 | L | 92.4 | Very high | 84.9 | Confident | 89 Ų | 89 | 113.8 Ų | 113.8 | 47% | 0.466 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67 | -44.1 | 173.7 | -179.1 | 61.4 | 0 | 0 | 0 | 111.9 | V37 M38 E39 Q44 Q45 | V37-L41 VanDerWaalsContact O-CB 3.3Å; V37-L41 WeakPolarHBondContact O-CB 3.24Å; V37-L41 PolarHBondContact O-N 3.25Å; M38-L41 PolarHBondContact O-N 2.97Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.13Å; L41-Q44 PolarHBondContact O-N 3.08Å; L41-Q45 WeakPolarHBondContact O-CG 3.34Å; L41-Q45 PolarHBondContact O-N 3.21Å |
| 42 | Q | 93.2 | Very high | 86.9 | Confident | 120 Ų | 120 | 114.5 Ų | 114.5 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.1 | -43.1 | 177.3 | -171 | 175.8 | 25.4 | 0 | 0 | 111.3 | M38 E39 Q44 Q45 Q46 | M38-Q42 WeakPolarHBondContact O-CB 3.47Å; M38-Q42 PolarHBondContact O-N 3.26Å; E39-Q42 PolarHBondContact O-N 3.2Å; Q42-Q44 VanDerWaalsContact C-N 3.34Å; Q42-Q44 PolarHBondContact O-N 3.26Å; Q42-Q45 PolarHBondContact O-N 3.23Å; Q42-Q46 WeakPolarHBondContact O-CG 3.39Å; Q42-Q46 PolarHBondContact O-N 3.38Å |
| 43 | R | 92.4 | Very high | 88.3 | Confident | 165 Ų | 165 | 115 Ų | 115 | 62% | 0.623 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.3 | -36.1 | 176 | -163.8 | 172.8 | -169.8 | 140.9 | -0.2 | 112 | E39 Q46 A47 | E39-R43 VanDerWaalsContact O-CB 3.23Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 3.45Å; E39-R43 IonicContact OE1-NH1 2.65Å; E39-R43 PolarHBondContact OE1-NH1 3.11Å; R43-Q46 PolarHBondContact O-N 3.14Å; R43-A47 WeakPolarHBondContact O-CB 3.44Å; R43-A47 PolarHBondContact O-N 3.1Å |
| 44 | Q | 91.4 | Very high | 89.2 | Confident | 126 Ų | 126 | 114 Ų | 114 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.7 | -41.7 | 172.4 | -173.8 | -177.5 | 95 | 0 | 0 | 111.9 | Q40 L41 Q42 A47 R48 | Q40-Q44 VanDerWaalsContact O-CB 3.27Å; Q40-Q44 WeakPolarHBondContact O-CB 3.22Å; Q40-Q44 PolarHBondContact O-N 2.97Å; L41-Q44 PolarHBondContact O-N 3.08Å; Q42-Q44 VanDerWaalsContact C-N 3.34Å; Q42-Q44 PolarHBondContact O-N 3.26Å; Q44-A47 PolarHBondContact O-N 2.94Å; Q44-R48 WeakPolarHBondContact O-CB 3.2Å; Q44-R48 PolarHBondContact O-N 3.18Å |
| 45 | Q | 90.1 | Very high | 89.8 | Confident | 114 Ų | 114 | 111.7 Ų | 111.7 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 174.4 | -69.7 | -179.9 | 22.1 | 0 | 0 | 112 | L41 Q42 R48 L49 | L41-Q45 WeakPolarHBondContact O-CG 3.34Å; L41-Q45 PolarHBondContact O-N 3.21Å; Q42-Q45 PolarHBondContact O-N 3.23Å; Q45-R48 PolarHBondContact O-N 3.03Å; Q45-L49 WeakPolarHBondContact O-CG 3.33Å; Q45-L49 PolarHBondContact O-N 3.02Å |
| 46 | Q | 90.9 | Very high | 90.5 | Very high | 116 Ų | 116 | 112.8 Ų | 112.8 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 174.7 | -72.6 | 173.7 | -6.7 | 0 | 0 | 111.8 | Q42 R43 R48 L49 E50 | Q42-Q46 WeakPolarHBondContact O-CG 3.39Å; Q42-Q46 PolarHBondContact O-N 3.38Å; R43-Q46 PolarHBondContact O-N 3.14Å; Q46-R48 VanDerWaalsContact C-N 3.3Å; Q46-R48 PolarHBondContact O-N 3.29Å; Q46-L49 PolarHBondContact O-N 3.46Å; Q46-E50 PolarHBondContact O-N 2.93Å |
| 47 | A | 91.6 | Very high | 91 | Very high | 53 Ų | 53 | 117.4 Ų | 117.4 | 44% | 0.438 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R43 Q44 E50 M51 | R43-A47 WeakPolarHBondContact O-CB 3.44Å; R43-A47 PolarHBondContact O-N 3.1Å; Q44-A47 PolarHBondContact O-N 2.94Å; A47-E50 PolarHBondContact O-N 3.48Å; A47-M51 VanDerWaalsContact O-CB 3.31Å; A47-M51 WeakPolarHBondContact O-CB 3.34Å; A47-M51 PolarHBondContact O-N 2.96Å |
| 48 | R | 89.1 | Confident | 91.5 | Very high | 182 Ų | 182 | 119.8 Ų | 119.8 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -46.3 | 173.8 | -174.4 | -179.6 | 176.2 | -158.3 | -2.9 | 111.8 | Q44 Q45 Q46 E50 M51 E52 | Q44-R48 WeakPolarHBondContact O-CB 3.2Å; Q44-R48 PolarHBondContact O-N 3.18Å; Q45-R48 PolarHBondContact O-N 3.03Å; Q46-R48 VanDerWaalsContact C-N 3.3Å; Q46-R48 PolarHBondContact O-N 3.29Å; R48-E50 VanDerWaalsContact C-N 3.32Å; R48-E50 PolarHBondContact O-N 3.25Å; R48-M51 PolarHBondContact O-N 2.93Å; R48-E52 WeakPolarHBondContact O-CB 3.4Å; R48-E52 PolarHBondContact O-N 2.95Å |
| 49 | L | 93.9 | Very high | 91.8 | Very high | 91 Ų | 91 | 120.4 Ų | 120.4 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.9 | -29.1 | 177.8 | -72.2 | 170 | 0 | 0 | 0 | 113.3 | Q45 Q46 R53 | Q45-L49 WeakPolarHBondContact O-CG 3.33Å; Q45-L49 PolarHBondContact O-N 3.02Å; Q46-L49 PolarHBondContact O-N 3.46Å; L49-R53 PolarHBondContact O-N 3.39Å |
| 50 | E | 92.8 | Very high | 91.9 | Very high | 108 Ų | 108 | 119.6 Ų | 119.6 | 51% | 0.505 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.5 | -42 | 172.4 | -159.8 | -159.7 | 154.8 | 0 | 0 | 111.2 | Q46 A47 R48 R53 K54 | Q46-E50 PolarHBondContact O-N 2.93Å; A47-E50 PolarHBondContact O-N 3.48Å; R48-E50 VanDerWaalsContact C-N 3.32Å; R48-E50 PolarHBondContact O-N 3.25Å; E50-R53 PolarHBondContact O-N 2.89Å; E50-K54 WeakPolarHBondContact O-CG 3.36Å; E50-K54 PolarHBondContact O-N 2.97Å; E50-K54 WeakPolarHBondContact OE1-CE 3.04Å; E50-K54 IonicContact OE1-NZ 2.64Å; E50-K54 PolarHBondContact OE1-NZ 3.48Å; E50-K54 IonicContact OE2-NZ 3.89Å |
| 51 | M | 89.8 | Confident | 92.1 | Very high | 115 Ų | 115 | 115.8 Ų | 115.8 | 57% | 0.567 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 176 | -170.6 | -89.5 | -77.6 | 0 | 0 | 111.4 | A47 R48 R53 K54 E55 | A47-M51 VanDerWaalsContact O-CB 3.31Å; A47-M51 WeakPolarHBondContact O-CB 3.34Å; A47-M51 PolarHBondContact O-N 2.96Å; R48-M51 PolarHBondContact O-N 2.93Å; M51-R53 VanDerWaalsContact C-N 3.33Å; M51-R53 PolarHBondContact O-N 2.7Å; M51-K54 WeakPolarHBondContact O-CB 3.46Å; M51-K54 PolarHBondContact O-N 2.87Å; M51-K54 VanDerWaalsContact O-N 3.11Å; M51-E55 PolarHBondContact O-N 3.37Å |
| 52 | E | 92.1 | Very high | 92.1 | Very high | 87 Ų | 87 | 117.9 Ų | 117.9 | 41% | 0.407 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 173.1 | -167.5 | -166.3 | 143.2 | 0 | 0 | 112 | R48 E55 R56 | R48-E52 WeakPolarHBondContact O-CB 3.4Å; R48-E52 PolarHBondContact O-N 2.95Å; E52-E55 PolarHBondContact O-N 3.34Å; E52-R56 WeakPolarHBondContact O-CB 3.24Å; E52-R56 PolarHBondContact O-N 2.93Å; E52-R56 IonicContact OE1-NH2 3.29Å |
| 53 | R | 94.3 | Very high | 92.1 | Very high | 169 Ų | 169 | 117.6 Ų | 117.6 | 64% | 0.638 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.3 | -37.4 | 173 | -85.5 | -175.6 | 170.2 | 82 | -3.6 | 112.9 | L49 E50 M51 K57 | L49-R53 PolarHBondContact O-N 3.39Å; E50-R53 PolarHBondContact O-N 2.89Å; M51-R53 VanDerWaalsContact C-N 3.33Å; M51-R53 PolarHBondContact O-N 2.7Å; R53-K57 WeakPolarHBondContact O-CG 3.42Å; R53-K57 PolarHBondContact O-N 2.71Å; R53-K57 VanDerWaalsContact O-N 3.15Å |
| 54 | K | 91.8 | Very high | 92 | Very high | 124 Ų | 124 | 115.5 Ų | 115.5 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 174.9 | -72.1 | 169.8 | -175.8 | 168.6 | 0 | 111 | E50 M51 K57 L58 | E50-K54 WeakPolarHBondContact O-CG 3.36Å; E50-K54 PolarHBondContact O-N 2.97Å; E50-K54 WeakPolarHBondContact OE1-CE 3.04Å; E50-K54 IonicContact OE1-NZ 2.64Å; E50-K54 PolarHBondContact OE1-NZ 3.48Å; E50-K54 IonicContact OE2-NZ 3.89Å; M51-K54 WeakPolarHBondContact O-CB 3.46Å; M51-K54 PolarHBondContact O-N 2.87Å; M51-K54 VanDerWaalsContact O-N 3.11Å; K54-K57 PolarHBondContact O-N 3.12Å; K54-L58 WeakPolarHBondContact O-CB 3.46Å; K54-L58 PolarHBondContact O-N 2.93Å |
| 55 | E | 89.3 | Confident | 92.1 | Very high | 81 Ų | 81 | 116.5 Ų | 116.5 | 38% | 0.379 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 176.2 | -164.6 | -169.8 | -178.4 | 0 | 0 | 111.5 | M51 E52 K57 L58 R59 | M51-E55 PolarHBondContact O-N 3.37Å; E52-E55 PolarHBondContact O-N 3.34Å; E55-K57 PolarHBondContact O-N 3.39Å; E55-L58 WeakPolarHBondContact O-CB 2.97Å; E55-L58 PolarHBondContact O-N 3.08Å; E55-L58 VanDerWaalsContact O-N 3.12Å; E55-R59 VanDerWaalsContact CD-NH2 3.3Å; E55-R59 HydrophobicContact CG-CG 4.45Å; E55-R59 WeakPolarHBondContact O-CG 3.32Å; E55-R59 PolarHBondContact O-N 3.44Å; E55-R59 IonicContact OE1-CZ 3.96Å; E55-R59 VanDerWaalsContact OE1-CZ 3.22Å; E55-R59 IonicContact OE1-NE 3.99Å; E55-R59 PolarHBondContact OE1-NE 2.82Å; E55-R59 IonicContact OE1-NH2 2.69Å; E55-R59 PolarHBondContact OE1-NH2 2.75Å; E55-R59 IonicContact OE2-NH2 3.72Å; E55-R59 PolarHBondContact OE2-NH2 2.64Å |
| 56 | R | 91.7 | Very high | 92.3 | Very high | 145 Ų | 145 | 113.6 Ų | 113.6 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.9 | -49.2 | 176 | -174.8 | -178.9 | -63.6 | -127.4 | 1.6 | 111.5 | E52 L58 R59 E60 | E52-R56 WeakPolarHBondContact O-CB 3.24Å; E52-R56 PolarHBondContact O-N 2.93Å; E52-R56 IonicContact OE1-NH2 3.29Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 2.94Å; R56-R59 PolarHBondContact O-N 3.06Å; R56-E60 WeakPolarHBondContact CD-OE1 3.48Å; R56-E60 HydrophobicContact CG-CG 4.43Å; R56-E60 VanDerWaalsContact CG-OE1 3.27Å; R56-E60 WeakPolarHBondContact CG-OE1 3.48Å; R56-E60 WeakPolarHBondContact O-CB 3.26Å; R56-E60 WeakPolarHBondContact O-CG 3.27Å; R56-E60 PolarHBondContact O-N 3.29Å |
| 57 | K | 93.4 | Very high | 92.5 | Very high | 148 Ų | 148 | 114.6 Ų | 114.6 | 64% | 0.643 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.2 | -38.4 | 175.4 | -75.2 | -179.8 | 175.5 | -172.1 | 0 | 112.7 | R53 K54 E55 A61 | R53-K57 WeakPolarHBondContact O-CG 3.42Å; R53-K57 PolarHBondContact O-N 2.71Å; R53-K57 VanDerWaalsContact O-N 3.15Å; K54-K57 PolarHBondContact O-N 3.12Å; E55-K57 PolarHBondContact O-N 3.39Å; K57-A61 WeakPolarHBondContact O-CB 3.14Å; K57-A61 PolarHBondContact O-N 2.62Å |
| 58 | L | 94.1 | Very high | 92.5 | Very high | 121 Ų | 121 | 118.2 Ų | 118.2 | 63% | 0.634 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.1 | -41.6 | 177.2 | -174.7 | 63.5 | 0 | 0 | 0 | 111.7 | K54 E55 R56 A61 H62 | K54-L58 WeakPolarHBondContact O-CB 3.46Å; K54-L58 PolarHBondContact O-N 2.93Å; E55-L58 WeakPolarHBondContact O-CB 2.97Å; E55-L58 PolarHBondContact O-N 3.08Å; E55-L58 VanDerWaalsContact O-N 3.12Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 2.94Å; L58-A61 PolarHBondContact O-N 3.14Å; L58-H62 WeakPolarHBondContact O-CB 3.25Å; L58-H62 PolarHBondContact O-N 3.5Å |
| 59 | R | 91.8 | Very high | 92.7 | Very high | 137 Ų | 137 | 112.6 Ų | 112.6 | 52% | 0.517 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 174 | -68.4 | 176.4 | -177.1 | -163.8 | 5.6 | 111.3 | E55 R56 H62 I63 | E55-R59 VanDerWaalsContact CD-NH2 3.3Å; E55-R59 HydrophobicContact CG-CG 4.45Å; E55-R59 WeakPolarHBondContact O-CG 3.32Å; E55-R59 PolarHBondContact O-N 3.44Å; E55-R59 IonicContact OE1-CZ 3.96Å; E55-R59 VanDerWaalsContact OE1-CZ 3.22Å; E55-R59 IonicContact OE1-NE 3.99Å; E55-R59 PolarHBondContact OE1-NE 2.82Å; E55-R59 IonicContact OE1-NH2 2.69Å; E55-R59 PolarHBondContact OE1-NH2 2.75Å; E55-R59 IonicContact OE2-NH2 3.72Å; E55-R59 PolarHBondContact OE2-NH2 2.64Å; R56-R59 PolarHBondContact O-N 3.06Å; R59-H62 WeakPolarHBondContact O-CB 3.24Å; R59-H62 PolarHBondContact O-N 3.48Å; R59-I63 VanDerWaalsContact O-CG1 3.32Å; R59-I63 WeakPolarHBondContact O-CG1 3.5Å; R59-I63 PolarHBondContact O-N 2.91Å |
| 60 | E | 92.9 | Very high | 92.5 | Very high | 93 Ų | 93 | 110.8 Ų | 110.8 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.3 | -73.8 | 165 | 179.8 | 0 | 0 | 111.7 | R56 H62 I63 M64 | R56-E60 WeakPolarHBondContact CD-OE1 3.48Å; R56-E60 HydrophobicContact CG-CG 4.43Å; R56-E60 VanDerWaalsContact CG-OE1 3.27Å; R56-E60 WeakPolarHBondContact CG-OE1 3.48Å; R56-E60 WeakPolarHBondContact O-CB 3.26Å; R56-E60 WeakPolarHBondContact O-CG 3.27Å; R56-E60 PolarHBondContact O-N 3.29Å; E60-H62 VanDerWaalsContact C-N 3.34Å; E60-H62 PolarHBondContact O-N 3.12Å; E60-I63 PolarHBondContact O-N 2.96Å; E60-M64 WeakPolarHBondContact O-CG 3.44Å; E60-M64 PolarHBondContact O-N 2.85Å |
| 61 | A | 93.9 | Very high | 92.4 | Very high | 47 Ų | 47 | 108.1 Ų | 108.1 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K57 L58 M64 Y65 | K57-A61 WeakPolarHBondContact O-CB 3.14Å; K57-A61 PolarHBondContact O-N 2.62Å; L58-A61 PolarHBondContact O-N 3.14Å; A61-M64 PolarHBondContact O-N 3.47Å; A61-Y65 WeakPolarHBondContact O-CB 3.44Å; A61-Y65 PolarHBondContact O-N 2.69Å |
| 62 | H | 92.7 | Very high | 92.4 | Very high | 134 Ų | 134 | 109.3 Ų | 109.3 | 62% | 0.62 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.9 | -38.9 | 176.7 | -147.8 | 116.9 | 0 | 0 | 0 | 112 | L58 R59 E60 Y65 A66 | L58-H62 WeakPolarHBondContact O-CB 3.25Å; L58-H62 PolarHBondContact O-N 3.5Å; R59-H62 WeakPolarHBondContact O-CB 3.24Å; R59-H62 PolarHBondContact O-N 3.48Å; E60-H62 VanDerWaalsContact C-N 3.34Å; E60-H62 PolarHBondContact O-N 3.12Å; H62-Y65 PolarHBondContact O-N 2.69Å; H62-A66 WeakPolarHBondContact O-CB 3.17Å; H62-A66 PolarHBondContact O-N 3.06Å |
| 63 | I | 94.6 | Very high | 92.1 | Very high | 113 Ų | 113 | 111.6 Ų | 111.6 | 58% | 0.579 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.5 | -46.1 | 175.2 | -69 | 163.4 | 0 | 0 | 0 | 110.6 | R59 E60 Y65 A66 Q67 | R59-I63 VanDerWaalsContact O-CG1 3.32Å; R59-I63 WeakPolarHBondContact O-CG1 3.5Å; R59-I63 PolarHBondContact O-N 2.91Å; E60-I63 PolarHBondContact O-N 2.96Å; I63-Y65 VanDerWaalsContact C-N 3.34Å; I63-Y65 PolarHBondContact O-N 2.8Å; I63-A66 PolarHBondContact O-N 3.01Å; I63-Q67 WeakPolarHBondContact O-CB 3.42Å; I63-Q67 PolarHBondContact O-N 3.1Å |
| 64 | M | 89.9 | Confident | 91.6 | Very high | 121 Ų | 121 | 106.4 Ų | 106.4 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.5 | -42.2 | 176.3 | -71.6 | -172.4 | -67.5 | 0 | 0 | 112 | E60 A61 Q67 Q68 | E60-M64 WeakPolarHBondContact O-CG 3.44Å; E60-M64 PolarHBondContact O-N 2.85Å; A61-M64 PolarHBondContact O-N 3.47Å; M64-Q67 PolarHBondContact O-N 3.03Å; M64-Q68 WeakPolarHBondContact O-CB 3.3Å; M64-Q68 PolarHBondContact O-N 3.21Å |
| 65 | Y | 93.4 | Very high | 91.3 | Very high | 148 Ų | 148 | 106.3 Ų | 106.3 | 58% | 0.58 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 175.9 | -178.7 | -106.7 | 0 | 0 | 0 | 112.3 | A61 H62 I63 Q67 Q68 V69 | A61-Y65 WeakPolarHBondContact O-CB 3.44Å; A61-Y65 PolarHBondContact O-N 2.69Å; H62-Y65 PolarHBondContact O-N 2.69Å; I63-Y65 VanDerWaalsContact C-N 3.34Å; I63-Y65 PolarHBondContact O-N 2.8Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.17Å; Y65-Q68 WeakPolarHBondContact O-CB 3.36Å; Y65-Q68 PolarHBondContact O-N 3.39Å; Y65-V69 HydrophobicContact CD1-CG2 4.45Å; Y65-V69 HydrophobicContact CE1-CG2 4.02Å; Y65-V69 HydrophobicContact CE2-CG2 4.19Å; Y65-V69 WeakPolarHBondContact O-CG2 3.28Å; Y65-V69 PolarHBondContact O-N 3.36Å |
| 66 | A | 94.6 | Very high | 91.1 | Very high | 53 Ų | 53 | 106.8 Ų | 106.8 | 44% | 0.438 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | H62 I63 V69 A70 | H62-A66 WeakPolarHBondContact O-CB 3.17Å; H62-A66 PolarHBondContact O-N 3.06Å; I63-A66 PolarHBondContact O-N 3.01Å; A66-V69 PolarHBondContact O-N 3.45Å; A66-A70 WeakPolarHBondContact O-CB 3.42Å; A66-A70 PolarHBondContact O-N 3.28Å |
| 67 | Q | 94 | Very high | 90.4 | Very high | 137 Ų | 137 | 102.5 Ų | 102.5 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.2 | -38.4 | 175.5 | -168.9 | 174.1 | 31 | 0 | 0 | 112.1 | I63 M64 Y65 A70 A71 | I63-Q67 WeakPolarHBondContact O-CB 3.42Å; I63-Q67 PolarHBondContact O-N 3.1Å; M64-Q67 PolarHBondContact O-N 3.03Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.17Å; Q67-A70 PolarHBondContact O-N 2.96Å; Q67-A71 WeakPolarHBondContact O-CB 3.25Å; Q67-A71 PolarHBondContact O-N 3.39Å |
| 68 | Q | 92.7 | Very high | 89.6 | Confident | 129 Ų | 129 | 98 Ų | 98 | 60% | 0.603 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 174.3 | -172.5 | -178.7 | 19 | 0 | 0 | 111.7 | M64 Y65 A71 Q72 | M64-Q68 WeakPolarHBondContact O-CB 3.3Å; M64-Q68 PolarHBondContact O-N 3.21Å; Y65-Q68 WeakPolarHBondContact O-CB 3.36Å; Y65-Q68 PolarHBondContact O-N 3.39Å; Q68-A71 PolarHBondContact O-N 3.47Å; Q68-Q72 WeakPolarHBondContact O-CB 3.08Å; Q68-Q72 PolarHBondContact O-N 3.46Å |
| 69 | V | 93.3 | Very high | 88.7 | Confident | 64 Ų | 64 | 95.4 Ų | 95.4 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 175.7 | 173 | 0 | 0 | 0 | 0 | 110.9 | Y65 A66 A71 Q72 Q73 | Y65-V69 HydrophobicContact CD1-CG2 4.45Å; Y65-V69 HydrophobicContact CE1-CG2 4.02Å; Y65-V69 HydrophobicContact CE2-CG2 4.19Å; Y65-V69 WeakPolarHBondContact O-CG2 3.28Å; Y65-V69 PolarHBondContact O-N 3.36Å; A66-V69 PolarHBondContact O-N 3.45Å; V69-A71 PolarHBondContact O-N 3.28Å; V69-Q72 PolarHBondContact O-N 2.92Å; V69-Q73 WeakPolarHBondContact O-CB 3.22Å; V69-Q73 PolarHBondContact O-N 2.97Å |
| 70 | A | 90.4 | Very high | 87.5 | Confident | 53 Ų | 53 | 97.8 Ų | 97.8 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A66 Q67 Q73 A74 | A66-A70 WeakPolarHBondContact O-CB 3.42Å; A66-A70 PolarHBondContact O-N 3.28Å; Q67-A70 PolarHBondContact O-N 2.96Å; A70-Q73 PolarHBondContact O-N 3.39Å; A70-A74 WeakPolarHBondContact O-CB 3.15Å; A70-A74 PolarHBondContact O-N 3.08Å |
| 71 | A | 90.1 | Very high | 85.9 | Confident | 51 Ų | 51 | 97.7 Ų | 97.7 | 42% | 0.421 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q67 Q68 V69 Q73 A74 I75 | Q67-A71 WeakPolarHBondContact O-CB 3.25Å; Q67-A71 PolarHBondContact O-N 3.39Å; Q68-A71 PolarHBondContact O-N 3.47Å; V69-A71 PolarHBondContact O-N 3.28Å; A71-Q73 VanDerWaalsContact C-N 3.35Å; A71-Q73 PolarHBondContact O-N 2.94Å; A71-A74 PolarHBondContact O-N 2.87Å; A71-I75 VanDerWaalsContact O-CG1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.48Å; A71-I75 PolarHBondContact O-N 2.92Å |
| 72 | Q | 89.2 | Confident | 84.1 | Confident | 140 Ų | 140 | 99.6 Ų | 99.6 | 65% | 0.654 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.9 | -38.3 | 175.8 | -172.6 | 171.3 | 94.2 | 0 | 0 | 112 | Q68 V69 I75 L76 | Q68-Q72 WeakPolarHBondContact O-CB 3.08Å; Q68-Q72 PolarHBondContact O-N 3.46Å; V69-Q72 PolarHBondContact O-N 2.92Å; Q72-I75 PolarHBondContact O-N 3.47Å; Q72-L76 WeakPolarHBondContact O-CB 3.3Å; Q72-L76 PolarHBondContact O-N 3.09Å |
| 73 | Q | 87.1 | Confident | 81.9 | Confident | 135 Ų | 135 | 96.1 Ų | 96.1 | 63% | 0.631 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.8 | -39.4 | 174 | -169.7 | 175 | 30.4 | 0 | 0 | 112 | V69 A70 A71 L76 A77 | V69-Q73 WeakPolarHBondContact O-CB 3.22Å; V69-Q73 PolarHBondContact O-N 2.97Å; A70-Q73 PolarHBondContact O-N 3.39Å; A71-Q73 VanDerWaalsContact C-N 3.35Å; A71-Q73 PolarHBondContact O-N 2.94Å; Q73-L76 PolarHBondContact O-N 3.06Å; Q73-A77 WeakPolarHBondContact O-CB 3.36Å; Q73-A77 PolarHBondContact O-N 3.46Å |
| 74 | A | 83.7 | Confident | 79.4 | Confident | 61 Ų | 61 | 95 Ų | 95 | 50% | 0.504 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.7 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A70 A71 A77 A78 | A70-A74 WeakPolarHBondContact O-CB 3.15Å; A70-A74 PolarHBondContact O-N 3.08Å; A71-A74 PolarHBondContact O-N 2.87Å; A74-A77 PolarHBondContact O-N 3.27Å; A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.36Å |
| 75 | I | 85.4 | Confident | 77.3 | Confident | 122 Ų | 122 | 95 Ų | 95 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.7 | -44.7 | 173.4 | -68.6 | 163.3 | 0 | 0 | 0 | 110.7 | A71 Q72 A77 A78 A79 | A71-I75 VanDerWaalsContact O-CG1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.48Å; A71-I75 PolarHBondContact O-N 2.92Å; Q72-I75 PolarHBondContact O-N 3.47Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.4Å; I75-A78 PolarHBondContact O-N 3.28Å; I75-A79 WeakPolarHBondContact O-CB 3.45Å; I75-A79 PolarHBondContact O-N 2.95Å |
| 76 | L | 83.5 | Confident | 74.9 | Confident | 90 Ų | 90 | 97 Ų | 97 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.7 | -30.8 | 178 | -175.4 | 62.6 | 0 | 0 | 0 | 113 | Q72 Q73 R80 | Q72-L76 WeakPolarHBondContact O-CB 3.3Å; Q72-L76 PolarHBondContact O-N 3.09Å; Q73-L76 PolarHBondContact O-N 3.06Å; L76-R80 WeakPolarHBondContact O-CG 3.23Å; L76-R80 PolarHBondContact O-N 2.92Å |
| 77 | A | 77.1 | Confident | 72.5 | Confident | 55 Ų | 55 | 103.2 Ų | 103.2 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.2 | -44.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q73 A74 I75 A79 R80 A81 | Q73-A77 WeakPolarHBondContact O-CB 3.36Å; Q73-A77 PolarHBondContact O-N 3.46Å; A74-A77 PolarHBondContact O-N 3.27Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.4Å; A77-A79 VanDerWaalsContact C-N 3.3Å; A77-A79 PolarHBondContact O-N 3.4Å; A77-R80 PolarHBondContact O-N 3.23Å; A77-A81 PolarHBondContact O-N 3.4Å |
| 78 | A | 76.3 | Confident | 69.9 | Low | 54 Ų | 54 | 99.8 Ų | 99.8 | 45% | 0.446 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.6 | -38.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A74 I75 R80 A81 S82 | A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.36Å; I75-A78 PolarHBondContact O-N 3.28Å; A78-R80 PolarHBondContact O-N 3.37Å; A78-A81 PolarHBondContact O-N 2.96Å; A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.29Å; A78-S82 PolarHBondContact O-N 3.37Å; A78-S82 PolarHBondContact O-OG 2.9Å |
| 79 | A | 75.6 | Confident | 67.3 | Low | 67 Ų | 67 | 103.7 Ų | 103.7 | 55% | 0.554 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.7 | -11 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I75 A77 | I75-A79 WeakPolarHBondContact O-CB 3.45Å; I75-A79 PolarHBondContact O-N 2.95Å; A77-A79 VanDerWaalsContact C-N 3.3Å; A77-A79 PolarHBondContact O-N 3.4Å |
| 80 | R | 66.6 | Low | 64.4 | Low | 187 Ų | 187 | 104 Ų | 104 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -98.9 | -31.7 | 169.9 | -73.7 | 179.7 | 175.2 | 128.3 | -1.8 | 112.9 | L76 A77 A78 | L76-R80 WeakPolarHBondContact O-CG 3.23Å; L76-R80 PolarHBondContact O-N 2.92Å; A77-R80 PolarHBondContact O-N 3.23Å; A78-R80 PolarHBondContact O-N 3.37Å |
| 81 | A | 59.3 | Low | 61.9 | Low | 91 Ų | 91 | 110.9 Ų | 110.9 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.1 | -40.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A77 A78 G83 | A77-A81 PolarHBondContact O-N 3.4Å; A78-A81 PolarHBondContact O-N 2.96Å; A81-G83 PolarHBondContact O-N 3.3Å |
| 82 | S | 56.5 | Low | 59.3 | Low | 87 Ų | 87 | 113.1 Ų | 113.1 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -72.1 | 74.7 | 161.9 | -68.3 | 0 | 0 | 0 | 0 | 109.6 | A78 A84 | A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.29Å; A78-S82 PolarHBondContact O-N 3.37Å; A78-S82 PolarHBondContact O-OG 2.9Å; S82-A84 PolarHBondContact O-N 3.39Å |
| 83 | G | 46.4 | Very low | 56.7 | Low | 60 Ų | 60 | 110.2 Ų | 110.2 | 62% | 0.619 | 70% | 0.696 | S | S | * | * | trans | -60.7 | 86.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | A81 S85 | A81-G83 PolarHBondContact O-N 3.3Å; G83-S85 PolarHBondContact O-N 3Å | ||
| 84 | A | 43.1 | Very low | 54 | Low | 89 Ų | 89 | 107.3 Ų | 107.3 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | trans | -63.9 | 107.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S82 F86 | S82-A84 PolarHBondContact O-N 3.39Å; A84-F86 PolarHBondContact O-N 3.49Å | ||
| 85 | S | 44.4 | Very low | 51.9 | Low | 121 Ų | 121 | 111.3 Ų | 111.3 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | trans | -69.8 | 73 | 171.5 | -66.9 | 0 | 0 | 0 | 0 | 110 | G83 M87 | G83-S85 PolarHBondContact O-N 3Å; S85-M87 PolarHBondContact O-N 2.94Å | ||
| 86 | F | 44.6 | Very low | 50.2 | Low | 190 Ų | 190 | 111.3 Ų | 111.3 | 83% | 0.833 | 73% | 0.728 | S | S | * | * | trans | -74.8 | 76.6 | 173.5 | -179.3 | -104.9 | 0 | 0 | 0 | 110 | A84 | A84-F86 PolarHBondContact O-N 3.49Š| ||
| 87 | M | 42.4 | Very low | 47.8 | Very low | 185 Ų | 185 | 112.1 Ų | 112.1 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | trans | -115.4 | 107.5 | 152.9 | -71 | -162.9 | -174.9 | 0 | 0 | 107.6 | S85 | S85-M87 PolarHBondContact O-N 2.94Š| ||
| 88 | G | 40.1 | Very low | 45.8 | Very low | 65 Ų | 65 | 114.8 Ų | 114.8 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -74.6 | 142.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 89 | K | 37.8 | Very low | 43.7 | Very low | 210 Ų | 210 | 116 Ų | 116 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | trans | -155.6 | 145.8 | 165.3 | -158.2 | 121.2 | 179.2 | -175.8 | 0 | 112 | ||||
| 90 | G | 33.3 | Very low | 41.7 | Very low | 70 Ų | 70 | 121 Ų | 121 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 78.5 | 88.9 | 143.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | A92 | G90-A92 PolarHBondContact O-N 2.88Š| ||
| 91 | M | 37.9 | Very low | 40.6 | Very low | 198 Ų | 198 | 117.6 Ų | 117.6 | 98% | 0.975 | 81% | 0.806 | S | S | * | * | trans | -64.6 | 124.3 | 158.2 | 176.6 | 137.6 | 59.4 | 0 | 0 | 111 | ||||
| 92 | A | 35.4 | Very low | 40.3 | Very low | 98 Ų | 98 | 119.3 Ų | 119.3 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -153.9 | 147.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110 | G90 | G90-A92 PolarHBondContact O-N 2.88Š| ||
| 93 | G | 33.3 | Very low | 39 | Very low | 80 Ų | 80 | 126 Ų | 126 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -94.2 | 176.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 94 | G | 31.7 | Very low | 38.3 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | -75.2 | -166.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 95 | V | 38.8 | Very low | 37.6 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | cis | -141.1 | -159.3 | 14.5 | -141.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 96 | P | 49.7 | Very low | 36.8 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -110.2 | 171.9 | -133 | 43 | -29 | 0 | 0 | 0 | 116.3 | ||||
| 97 | A | 33.3 | Very low | 36.1 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | -141.2 | 156 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 98 | A | 35.3 | Very low | 35.5 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -117.7 | 151 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 99 | G | 31.5 | Very low | 35.1 | Very low | 80 Ų | 80 | 127 Ų | 127 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -178.4 | 136.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 100 | L | 33.9 | Very low | 35.1 | Very low | 171 Ų | 171 | 123.1 Ų | 123.1 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -106.1 | 178.4 | 172.2 | -68.8 | 166.6 | 0 | 0 | 0 | 108.8 | ||||
| 101 | P | 44.2 | Very low | 34.8 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | cis | -121.6 | -166.5 | -48.7 | 39.8 | -23.6 | 0 | 0 | 0 | 109.6 | ||||
| 102 | P | 52.8 | Low | 34.5 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -90.3 | 159.4 | -165 | 36.5 | -35.1 | 0 | 0 | 0 | 115.3 | ||||
| 103 | R | 29.8 | Very low | 34.3 | Very low | 227 Ų | 227 | 125.8 Ų | 125.8 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -154.8 | 124.7 | 164.6 | -142.5 | -162.6 | 164.8 | -168.3 | -5.6 | 114.9 | ||||
| 104 | V | 31.6 | Very low | 34.3 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 66% | 0.655 | 80% | 0.796 | S | S | * | * | trans | 47.1 | 127.4 | 150 | -62.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 105 | S | 28 | Very low | 34.4 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | 75.9 | 116.6 | 125.2 | -68.2 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 106 | N | 27.1 | Very low | 34.3 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | 75.8 | 131.3 | 122.6 | -65.7 | 36.4 | 0 | 0 | 0 | 120.9 | |||||
| 107 | Q | 29.4 | Very low | 33.7 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 69.7 | 152.4 | 154.7 | -63 | 159.4 | 133.2 | 0 | 0 | 115.7 | ||||
| 108 | S | 30.7 | Very low | 33.9 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | cis | -173.8 | 141.7 | -22.7 | 49.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 109 | S | 32.3 | Very low | 34.1 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -159.8 | 136.9 | 143.6 | -153.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 110 | V | 36.5 | Very low | 34.4 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | -82.4 | 147.4 | 152.1 | -68.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 111 | D | 27 | Very low | 34.6 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 178.4 | 145 | 150.2 | -138.6 | 43.1 | 0 | 0 | 0 | 108.6 | ||||
| 112 | S | 33.4 | Very low | 34.4 | Very low | 82 Ų | 82 | 149.1 Ų | 149.1 | 57% | 0.573 | 77% | 0.771 | S | S | * | * | cis | -162.4 | 144.2 | -31.7 | -102.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 113 | E | 30 | Very low | 33.5 | Very low | 187 Ų | 187 | 150 Ų | 150 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | 22.6 | 126.3 | 157.1 | 36.6 | 179.7 | 72.5 | 0 | 0 | 122.2 | ||||
| 114 | R | 33.8 | Very low | 34.2 | Very low | 234 Ų | 234 | 144.6 Ų | 144.6 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -159.1 | 103.9 | 133 | -169.1 | 158.8 | -169.8 | -80.6 | -13.3 | 114 | ||||
| 115 | E | 33.4 | Very low | 34.3 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -80.1 | 173.3 | 155.7 | -51.8 | 178.1 | 150.3 | 0 | 0 | 108.2 | ||||
| 116 | E | 37.5 | Very low | 34.9 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -124.8 | -176.9 | 6.6 | -84.7 | 169.9 | 115.9 | 0 | 0 | 107.7 | ||||
| 117 | D | 37.1 | Very low | 35.5 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | cis | -144.8 | 160.4 | 33.4 | -83.1 | -74.3 | 0 | 0 | 0 | 113 | ||||
| 118 | E | 36.9 | Very low | 36 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 60% | 0.603 | 78% | 0.777 | S | S | * | * | trans | -100.4 | 150 | 177.4 | -54.5 | 177.6 | 99.2 | 0 | 0 | 112.7 | R120 | E118-R120 IonicContact OE1-CZ 3.22Å; E118-R120 IonicContact OE1-NE 2.62Å; E118-R120 PolarHBondContact OE1-NE 2.64Å; E118-R120 IonicContact OE1-NH1 3.66Å; E118-R120 IonicContact OE1-NH2 3.47Å; E118-R120 PolarHBondContact OE1-NH2 2.82Å; E118-R120 IonicContact OE2-CZ 2.66Å; E118-R120 IonicContact OE2-NE 3.93Å; E118-R120 IonicContact OE2-NH1 2.7Å; E118-R120 PolarHBondContact OE2-NH1 3.29Å; E118-R120 IonicContact OE2-NH2 3.01Å; E118-R120 PolarHBondContact OE2-NH2 2.92Å | ||
| 119 | D | 40.3 | Very low | 36.5 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -130.7 | 140.1 | 147.8 | -170.3 | 14 | 0 | 0 | 0 | 108.9 | ||||
| 120 | R | 37 | Very low | 36.8 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -122.2 | 123 | -160.9 | -75.2 | -175.2 | 169.1 | 112.3 | -7.7 | 113.1 | E118 | E118-R120 IonicContact OE1-CZ 3.22Å; E118-R120 IonicContact OE1-NE 2.62Å; E118-R120 PolarHBondContact OE1-NE 2.64Å; E118-R120 IonicContact OE1-NH1 3.66Å; E118-R120 IonicContact OE1-NH2 3.47Å; E118-R120 PolarHBondContact OE1-NH2 2.82Å; E118-R120 IonicContact OE2-CZ 2.66Å; E118-R120 IonicContact OE2-NE 3.93Å; E118-R120 IonicContact OE2-NH1 2.7Å; E118-R120 PolarHBondContact OE2-NH1 3.29Å; E118-R120 IonicContact OE2-NH2 3.01Å; E118-R120 PolarHBondContact OE2-NH2 2.92Å | ||
| 121 | G | 37.2 | Very low | 36.7 | Very low | 78 Ų | 78 | 148.7 Ų | 148.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -137.7 | 108.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 122 | R | 41.3 | Very low | 37.5 | Very low | 230 Ų | 230 | 150 Ų | 150 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | trans | -76.7 | 157.5 | 174 | -64.5 | -179.9 | 175.2 | -174.8 | -3.9 | 110.2 | ||||
| 123 | D | 33.4 | Very low | 38.3 | Very low | 145 Ų | 145 | 154.9 Ų | 154.9 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | -151.9 | 135.6 | 59.1 | -116.1 | 1.1 | 0 | 0 | 0 | 109.8 | |||||
| 124 | S | 44.5 | Very low | 38.9 | Very low | 113 Ų | 113 | 155.3 Ų | 155.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | 69.4 | 129.9 | 82.5 | -168.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 125 | G | 34.4 | Very low | 39.6 | Very low | 63 Ų | 63 | 153.8 Ų | 153.8 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | cis | -140.4 | -159.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 126 | D | 38.9 | Very low | 39.7 | Very low | 144 Ų | 144 | 149.4 Ų | 149.4 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | cis | -142.7 | 145.4 | 11.4 | -61.7 | -44.8 | 0 | 0 | 0 | 112.1 | ||||
| 127 | E | 40.8 | Very low | 39.8 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | 41.8 | 106 | 136.4 | -55.3 | 179.2 | 168.2 | 0 | 0 | 121.6 | ||||
| 128 | D | 39.4 | Very low | 40.1 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | 34.3 | 153.6 | 101.3 | -48.2 | -9.9 | 0 | 0 | 0 | 120.2 | |||||
| 129 | D | 41.7 | Very low | 39.9 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | cis | -168.7 | -163.6 | -32.5 | -159.1 | -13.7 | 0 | 0 | 0 | 106.5 | ||||
| 130 | D | 39 | Very low | 39.7 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 67% | 0.668 | 80% | 0.801 | S | S | * | * | trans | 79.7 | 126.8 | 153.3 | -77.4 | -17.5 | 0 | 0 | 0 | 121.8 | ||||
| 131 | N | 33.8 | Very low | 39.7 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | 67.9 | 152.8 | 151.4 | -62 | -44.6 | 0 | 0 | 0 | 119.1 | ||||
| 132 | E | 44.3 | Very low | 40 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | cis | -147.3 | 159.9 | 7.3 | -144.5 | 162.2 | -141.9 | 0 | 0 | 110.9 | ||||
| 133 | M | 49 | Very low | 39.8 | Very low | 186 Ų | 186 | 147 Ų | 147 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -107.7 | 127.4 | 171.5 | -63.9 | -170.4 | -162.3 | 0 | 0 | 111.4 | ||||
| 134 | M | 43.8 | Very low | 40.4 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 97% | 0.966 | 82% | 0.821 | S | S | * | * | trans | -157.5 | 157.3 | 151.3 | -117.6 | -175.8 | -169.3 | 0 | 0 | 112.8 | ||||
| 135 | E | 48.6 | Very low | 39.9 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -97.5 | 161 | 179.5 | -63.3 | -175.4 | 136.9 | 0 | 0 | 112.7 | ||||
| 136 | G | 35.6 | Very low | 39.9 | Very low | 77 Ų | 77 | 151.5 Ų | 151.5 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | 155.1 | 145.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 137 | D | 39.6 | Very low | 40.2 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | cis | -172.4 | 178.3 | -8.3 | -174.5 | 18.5 | 0 | 0 | 0 | 104.8 | ||||
| 138 | E | 42.6 | Very low | 40.8 | Very low | 192 Ų | 192 | 145.3 Ų | 145.3 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -68.1 | 163.2 | -161.4 | -61.7 | 179.3 | 178.1 | 0 | 0 | 118.4 | ||||
| 139 | G | 32.8 | Very low | 41.7 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 142.2 | 89.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 140 | S | 36.3 | Very low | 42.3 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 60.8 | 99.7 | 71.3 | -153 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 141 | D | 37.1 | Very low | 43.2 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | -179.7 | 171 | 107.8 | -85.8 | -3.4 | 0 | 0 | 0 | 111.8 | |||||
| 142 | E | 43 | Very low | 44.5 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | -101.2 | 142 | -163.4 | -52.2 | 178.2 | 157.8 | 0 | 0 | 114.1 | ||||
| 143 | D | 36.7 | Very low | 45.6 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -160.5 | 159.4 | 140.6 | -159.1 | 7.5 | 0 | 0 | 0 | 111.8 | ||||
| 144 | E | 45.8 | Very low | 46.5 | Very low | 192 Ų | 192 | 134.2 Ų | 134.2 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | trans | -80.5 | 139.7 | -175.6 | -68.1 | -158.9 | 112.8 | 0 | 0 | 114.5 | ||||
| 145 | G | 34.6 | Very low | 47.6 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -142.8 | 21.6 | -167.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 146 | N | 34.9 | Very low | 48.3 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | 61.2 | 104.6 | 171 | -175.5 | 87.9 | 0 | 0 | 0 | 116.8 | ||||
| 147 | P | 44.8 | Very low | 49.7 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | trans | -68.9 | 137.5 | -171.2 | 28.1 | -35.4 | 0 | 0 | 0 | 114.5 | ||||
| 148 | S | 54.2 | Low | 50.9 | Low | 75 Ų | 75 | 123.3 Ų | 123.3 | 52% | 0.524 | 68% | 0.677 | S | S | . | * | trans | -58.7 | 136.6 | -179.1 | 178 | 0 | 0 | 0 | 0 | 113.4 | L150 E151 | S148-L150 PolarHBondContact O-N 3.49Å; S148-E151 WeakPolarHBondContact O-CB 3.35Å; S148-E151 PolarHBondContact O-N 3.35Å | ||
| 149 | G | 57.7 | Low | 51.7 | Low | 56 Ų | 56 | 116.9 Ų | 116.9 | 58% | 0.577 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -58.7 | -13.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | E151 F152 L153 | G149-E151 VanDerWaalsContact C-N 3.29Å; G149-E151 PolarHBondContact O-N 3.5Å; G149-F152 PolarHBondContact O-N 3.03Å; G149-L153 PolarHBondContact O-N 2.99Å; G149-L153 VanDerWaalsContact O-N 3.08Å |
| 150 | L | 54.1 | Low | 53 | Low | 133 Ų | 133 | 119.8 Ų | 119.8 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.6 | -35.3 | 168.8 | -76.9 | 164.5 | 0 | 0 | 0 | 112.5 | S148 R154 | S148-L150 PolarHBondContact O-N 3.49Å; L150-R154 VanDerWaalsContact O-CB 3.23Å; L150-R154 WeakPolarHBondContact O-CB 3.35Å; L150-R154 PolarHBondContact O-N 3.34Å |
| 151 | E | 57.8 | Low | 53.9 | Low | 81 Ų | 81 | 121.4 Ų | 121.4 | 38% | 0.379 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -61.3 | -46.4 | 173.4 | -87.3 | -82.1 | 104 | 0 | 0 | 111.4 | S148 G149 R154 K155 | S148-E151 WeakPolarHBondContact O-CB 3.35Å; S148-E151 PolarHBondContact O-N 3.35Å; G149-E151 VanDerWaalsContact C-N 3.29Å; G149-E151 PolarHBondContact O-N 3.5Å; E151-R154 PolarHBondContact O-N 2.87Å; E151-K155 WeakPolarHBondContact O-CB 3.19Å; E151-K155 WeakPolarHBondContact O-CD 3.5Å; E151-K155 VanDerWaalsContact O-CG 3.29Å; E151-K155 WeakPolarHBondContact O-CG 3.46Å; E151-K155 PolarHBondContact O-N 3.21Å; E151-K155 VanDerWaalsContact OE2-CE 3.27Å; E151-K155 WeakPolarHBondContact OE2-CE 3.43Å; E151-K155 IonicContact OE2-NZ 3.59Å; E151-K155 PolarHBondContact OE2-NZ 3.49Å |
| 152 | F | 62.2 | Low | 54.5 | Low | 148 Ų | 148 | 120.8 Ų | 120.8 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65 | -44.1 | -179.2 | -174 | -95.5 | 0 | 0 | 0 | 111.5 | G149 K155 Q156 | G149-F152 PolarHBondContact O-N 3.03Å; F152-K155 PolarHBondContact O-N 2.87Å; F152-Q156 WeakPolarHBondContact O-CB 3.3Å; F152-Q156 PolarHBondContact O-N 2.93Å |
| 153 | L | 65.4 | Low | 54.5 | Low | 96 Ų | 96 | 118.6 Ų | 118.6 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64 | -43 | 177.1 | -167 | 65.7 | 0 | 0 | 0 | 111.4 | G149 K155 Q156 T157 | G149-L153 PolarHBondContact O-N 2.99Å; G149-L153 VanDerWaalsContact O-N 3.08Å; L153-K155 PolarHBondContact O-N 2.94Å; L153-Q156 PolarHBondContact O-N 2.96Å; L153-T157 PolarHBondContact O-N 3.25Å; L153-T157 PolarHBondContact O-OG1 3.05Å; L153-T157 VanDerWaalsContact O-OG1 3.09Å |
| 154 | R | 68.4 | Low | 54.7 | Low | 188 Ų | 188 | 114.6 Ų | 114.6 | 71% | 0.709 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.4 | -42.4 | 176.1 | -167.6 | 179 | -167.3 | -178.8 | 5 | 112.1 | L150 E151 L158 | L150-R154 VanDerWaalsContact O-CB 3.23Å; L150-R154 WeakPolarHBondContact O-CB 3.35Å; L150-R154 PolarHBondContact O-N 3.34Å; E151-R154 PolarHBondContact O-N 2.87Å; R154-L158 WeakPolarHBondContact O-CB 3.41Å; R154-L158 PolarHBondContact O-N 2.94Å |
| 155 | K | 68.4 | Low | 54.6 | Low | 128 Ų | 128 | 110.2 Ų | 110.2 | 56% | 0.557 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.2 | -38.7 | 175.7 | -75.1 | 164.5 | 172.9 | 166.8 | 0 | 112 | E151 F152 L153 L158 A159 | E151-K155 WeakPolarHBondContact O-CB 3.19Å; E151-K155 WeakPolarHBondContact O-CD 3.5Å; E151-K155 VanDerWaalsContact O-CG 3.29Å; E151-K155 WeakPolarHBondContact O-CG 3.46Å; E151-K155 PolarHBondContact O-N 3.21Å; E151-K155 VanDerWaalsContact OE2-CE 3.27Å; E151-K155 WeakPolarHBondContact OE2-CE 3.43Å; E151-K155 IonicContact OE2-NZ 3.59Å; E151-K155 PolarHBondContact OE2-NZ 3.49Å; F152-K155 PolarHBondContact O-N 2.87Å; L153-K155 PolarHBondContact O-N 2.94Å; K155-L158 PolarHBondContact O-N 2.86Å; K155-A159 PolarHBondContact O-N 3.48Å |
| 156 | Q | 62.8 | Low | 54.6 | Low | 99 Ų | 99 | 118 Ų | 118 | 46% | 0.463 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.5 | -44.5 | 174.5 | -174.8 | 177.5 | 85.9 | 0 | 0 | 112.2 | F152 L153 L158 A159 L160 | F152-Q156 WeakPolarHBondContact O-CB 3.3Å; F152-Q156 PolarHBondContact O-N 2.93Å; L153-Q156 PolarHBondContact O-N 2.96Å; Q156-L158 PolarHBondContact O-N 3.09Å; Q156-A159 PolarHBondContact O-N 3.23Å; Q156-L160 PolarHBondContact O-N 3.38Å |
| 157 | T | 63.8 | Low | 54.8 | Low | 83 Ų | 83 | 118.8 Ų | 118.8 | 51% | 0.509 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.2 | -41.5 | 174.7 | -55.4 | 0 | 0 | 0 | 0 | 112 | L153 L160 Q161 | L153-T157 PolarHBondContact O-N 3.25Å; L153-T157 PolarHBondContact O-OG1 3.05Å; L153-T157 VanDerWaalsContact O-OG1 3.09Å; T157-L160 PolarHBondContact O-N 2.87Å; T157-Q161 PolarHBondContact O-N 3.28Å; T157-Q161 VanDerWaalsContact O-N 3.14Å |
| 158 | L | 65.8 | Low | 54.5 | Low | 93 Ų | 93 | 119.3 Ų | 119.3 | 49% | 0.487 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.8 | -41.3 | 179.5 | -172.4 | 63 | 0 | 0 | 0 | 112.4 | R154 K155 Q156 L160 Q161 Q162 | R154-L158 WeakPolarHBondContact O-CB 3.41Å; R154-L158 PolarHBondContact O-N 2.94Å; K155-L158 PolarHBondContact O-N 2.86Å; Q156-L158 PolarHBondContact O-N 3.09Å; L158-L160 PolarHBondContact O-N 2.93Å; L158-Q161 PolarHBondContact O-N 2.9Å; L158-Q162 PolarHBondContact O-N 3.26Å |
| 159 | A | 59.4 | Low | 53.3 | Low | 57 Ų | 57 | 120.2 Ų | 120.2 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -63.4 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K155 Q156 | K155-A159 PolarHBondContact O-N 3.48Å; Q156-A159 PolarHBondContact O-N 3.23Å |
| 160 | L | 59.1 | Low | 52.3 | Low | 131 Ų | 131 | 128.8 Ų | 128.8 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.3 | -34.7 | 175.3 | -84.7 | 155.6 | 0 | 0 | 0 | 112.6 | Q156 T157 L158 | Q156-L160 PolarHBondContact O-N 3.38Å; T157-L160 PolarHBondContact O-N 2.87Å; L158-L160 PolarHBondContact O-N 2.93Å |
| 161 | Q | 55.5 | Low | 51.8 | Low | 143 Ų | 143 | 128.5 Ų | 128.5 | 67% | 0.668 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.3 | -31.5 | -179.2 | -170.3 | 164.4 | 84.8 | 0 | 0 | 113.1 | T157 L158 | T157-Q161 PolarHBondContact O-N 3.28Å; T157-Q161 VanDerWaalsContact O-N 3.14Å; L158-Q161 PolarHBondContact O-N 2.9Å |
| 162 | Q | 50.8 | Low | 50.4 | Low | 142 Ų | 142 | 134.2 Ų | 134.2 | 66% | 0.664 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -74.8 | -25.8 | -179.9 | -69.6 | 179.8 | 0.8 | 0 | 0 | 113.7 | L158 A164 | L158-Q162 PolarHBondContact O-N 3.26Å; Q162-A164 VanDerWaalsContact C-N 3.29Å; Q162-A164 PolarHBondContact O-N 3.5Å |
| 163 | N | 41.7 | Very low | 48.9 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -5.8 | -179.2 | -82 | 9.1 | 0 | 0 | 0 | 114.7 | S165 | N163-S165 PolarHBondContact O-N 3.14Š|
| 164 | A | 42.4 | Very low | 47.1 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 67% | 0.669 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -1.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q162 | Q162-A164 VanDerWaalsContact C-N 3.29Å; Q162-A164 PolarHBondContact O-N 3.5Å |
| 165 | S | 43.7 | Very low | 45.3 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -148.7 | 50.2 | -163.4 | -66 | 0 | 0 | 0 | 0 | 117.7 | N163 | N163-S165 PolarHBondContact O-N 3.14Š|
| 166 | R | 34.4 | Very low | 43.5 | Very low | 238 Ų | 238 | 130.7 Ų | 130.7 | 90% | 0.898 | 72% | 0.718 | S | S | * | * | trans | -151.2 | 123.6 | 144.1 | -72.2 | -156 | -166.9 | -74.7 | -2.3 | 112.6 | ||||
| 167 | I | 37.4 | Very low | 42 | Very low | 165 Ų | 165 | 134 Ų | 134 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -126.7 | 126.5 | 158.4 | -67.4 | 173.3 | 0 | 0 | 0 | 106 | ||||
| 168 | P | 39.1 | Very low | 40.4 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | -136.9 | 167.4 | 117.6 | 23.4 | -3.8 | 0 | 0 | 0 | 114.5 | |||||
| 169 | A | 30.3 | Very low | 38.8 | Very low | 95 Ų | 95 | 136 Ų | 136 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -52 | 158.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 170 | R | 35.6 | Very low | 38.2 | Very low | 235 Ų | 235 | 138.5 Ų | 138.5 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -68.1 | 161.8 | 161 | -66.2 | -179.2 | 171.9 | -136 | -0.8 | 111.6 | ||||
| 171 | P | 43.1 | Very low | 36.8 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | -128 | -166.2 | 115 | 38.3 | -32.5 | 0 | 0 | 0 | 114.5 | |||||
| 172 | F | 29 | Very low | 35.4 | Very low | 202 Ų | 202 | 141.8 Ų | 141.8 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | trans | -73.4 | 146.4 | -156.8 | -98.7 | -117.9 | 0 | 0 | 0 | 118.6 | ||||
| 173 | A | 30.7 | Very low | 34.2 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | 29.3 | 133.8 | 135.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 174 | G | 28 | Very low | 33.5 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -153.7 | 143.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 175 | Y | 31.4 | Very low | 33 | Very low | 219 Ų | 219 | 138.3 Ų | 138.3 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -67 | 175.6 | 169.3 | 51.9 | -94.4 | 0 | 0 | 0 | 111.7 | ||||
| 176 | S | 30.1 | Very low | 32.9 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | cis | -155.9 | 171.8 | 3.6 | -153.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 177 | M | 30.8 | Very low | 33.4 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | trans | -15.4 | 138.4 | 163.9 | -61.8 | -68.1 | 120.4 | 0 | 0 | 120.4 | ||||
| 178 | S | 30.2 | Very low | 33.1 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | -166 | 142.4 | 115 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 179 | A | 31.2 | Very low | 32.4 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -138.5 | -171.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 180 | P | 47.4 | Very low | 32.3 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | cis | -143.2 | -151.9 | 5.9 | 43.5 | -21.7 | 0 | 0 | 0 | 114.3 | ||||
| 181 | Q | 30 | Very low | 31.9 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 59% | 0.593 | 78% | 0.78 | S | S | * | * | trans | 112.9 | 106.9 | 169.2 | -64.6 | -59.5 | -75 | 0 | 0 | 113.2 | ||||
| 182 | R | 26 | Very low | 31.1 | Very low | 217 Ų | 217 | 137.2 Ų | 137.2 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | 81.7 | 139.5 | 87.2 | -85.8 | -156.5 | -179.4 | 127.9 | -15.8 | 113.4 | |||||
| 183 | A | 25.9 | Very low | 31 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | cis | -165.4 | 172.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 184 | A | 27.7 | Very low | 31.2 | Very low | 101 Ų | 101 | 137 Ų | 137 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | 77.8 | 119.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 185 | S | 30.3 | Very low | 31.1 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -82.1 | 177 | 149.8 | -37.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 186 | P | 42.3 | Very low | 31 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | -150 | -147.3 | 70.8 | 44.9 | -21.1 | 0 | 0 | 0 | 113.3 | |||||
| 187 | P | 45.6 | Very low | 30.7 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | -140.2 | 176.7 | -110.9 | 42.7 | -21 | 0 | 0 | 0 | 118.7 | |||||
| 188 | V | 29.5 | Very low | 30.7 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | 47.9 | 131.6 | 143.2 | 170.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 189 | R | 26 | Very low | 30.6 | Very low | 231 Ų | 231 | 136.9 Ų | 136.9 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -144.3 | 136.4 | 140.5 | -165.5 | 169.3 | -172.2 | 136.3 | 4 | 112.3 | ||||
| 190 | V | 28.4 | Very low | 31.1 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | trans | -126.5 | 142.3 | 171.7 | 174.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 191 | K | 27.3 | Very low | 30.1 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 74% | 0.735 | 78% | 0.777 | S | S | * | * | trans | -159.4 | 104.5 | 166.1 | -162.9 | 177 | -178.7 | -169.7 | 0 | 107 | ||||
| 192 | Q | 25.6 | Very low | 30.1 | Very low | 163 Ų | 163 | 135 Ų | 135 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | 82.4 | 121.7 | 68.6 | -177.5 | -175.7 | 48.4 | 0 | 0 | 111.9 | |||||
| 193 | E | 26 | Very low | 30.7 | Very low | 170 Ų | 170 | 131 Ų | 131 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -69.8 | 173.1 | 178.7 | -72.9 | -158.5 | 124 | 0 | 0 | 114.1 | ||||
| 194 | P | 34.9 | Very low | 30.8 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | -133.2 | 161.7 | 105.2 | 39.5 | -31.7 | 0 | 0 | 0 | 116 | |||||
| 195 | D | 26.7 | Very low | 30.9 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -68.6 | 151.7 | 173.6 | -173.5 | -100.6 | 0 | 0 | 0 | 113.4 | ||||
| 196 | E | 28.4 | Very low | 30.8 | Very low | 188 Ų | 188 | 135 Ų | 135 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | 169.7 | 135.4 | 127 | -95.4 | -171.2 | 173.7 | 0 | 0 | 112.3 | |||||
| 197 | G | 25.1 | Very low | 30 | Very low | 59 Ų | 59 | 133.6 Ų | 133.6 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | 124.9 | 117.4 | 138.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 198 | M | 30.1 | Very low | 29.2 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | 54.1 | 99.2 | 145.9 | -60.8 | 78.6 | 165.8 | 0 | 0 | 120.4 | ||||
| 199 | S | 29 | Very low | 29.9 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | -83.1 | 160.6 | 128.1 | -65.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 200 | P | 40.9 | Very low | 30 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | -145.9 | 152 | 111.4 | 37.4 | -23.3 | 0 | 0 | 0 | 116.1 | |||||
| 201 | A | 27.2 | Very low | 30.1 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 38.4 | 119.5 | 147 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 202 | G | 29.8 | Very low | 30.2 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | -90.7 | -172.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 203 | P | 38.5 | Very low | 30.8 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -118.9 | 142 | 157.9 | 35.9 | -26.9 | 0 | 0 | 0 | 112.7 | ||||
| 204 | N | 28.3 | Very low | 30.8 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -93.8 | 142.7 | 173.8 | -63.3 | -42.2 | 0 | 0 | 0 | 110.8 | ||||
| 205 | S | 28.3 | Very low | 31.1 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -164.9 | 145.9 | 151.9 | -78.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 206 | S | 28.7 | Very low | 31.5 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | 159.5 | 146 | -41.2 | 54 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 207 | A | 26.4 | Very low | 31.6 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 68.3 | 148.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 208 | S | 27.8 | Very low | 31.9 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | cis | -162.7 | 166.6 | -19.3 | -107 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 209 | P | 44 | Very low | 32 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -89.1 | 147.7 | -170.9 | 34.8 | -35.5 | 0 | 0 | 0 | 114.5 | ||||
| 210 | N | 28.8 | Very low | 32.3 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -147.4 | 151.5 | 138.9 | -160.8 | 9.3 | 0 | 0 | 0 | 108.9 | ||||
| 211 | G | 30.5 | Very low | 32.1 | Very low | 68 Ų | 68 | 126.2 Ų | 126.2 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -105.7 | 152.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 212 | Q | 28.7 | Very low | 32.5 | Very low | 199 Ų | 199 | 130.7 Ų | 130.7 | 93% | 0.93 | 75% | 0.749 | S | S | * | * | trans | -143.3 | 142.1 | 151 | -158.1 | 164.4 | 7 | 0 | 0 | 108.3 | ||||
| 213 | A | 38.8 | Very low | 32.5 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | -87.9 | 135.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 214 | D | 26.7 | Very low | 32.1 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -132.1 | 123.9 | 159.4 | -173.6 | 26.3 | 0 | 0 | 0 | 108.5 | ||||
| 215 | W | 39.7 | Very low | 32.4 | Very low | 226 Ų | 226 | 131.9 Ų | 131.9 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -108.8 | 73.2 | -175.9 | -81.7 | 104.2 | 0 | 0 | 0 | 109.4 | ||||
| 216 | G | 35.8 | Very low | 32.5 | Very low | 51 Ų | 51 | 131.4 Ų | 131.4 | 53% | 0.526 | 74% | 0.738 | S | S | . | * | trans | -112.3 | 93.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E218 | G216-E218 VanDerWaalsContact C-N 3.3Å; G216-E218 PolarHBondContact O-N 3.4Å | ||
| 217 | F | 30.9 | Very low | 32.7 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 60% | 0.596 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 64.1 | -26.9 | 148.6 | -163.1 | -111.8 | 0 | 0 | 0 | 121.2 | D219 | F217-D219 PolarHBondContact O-N 3.26Š|
| 218 | E | 30.7 | Very low | 33.1 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 64% | 0.64 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -32.8 | -165.2 | -172.4 | 60.6 | -158.1 | 0 | 0 | 115.5 | G216 H220 F221 | G216-E218 VanDerWaalsContact C-N 3.3Å; G216-E218 PolarHBondContact O-N 3.4Å; E218-H220 VanDerWaalsContact C-N 3.26Å; E218-H220 PolarHBondContact O-N 3.09Å; E218-H220 VanDerWaalsContact O-N 3.1Å; E218-F221 PolarHBondContact O-N 3.36Å |
| 219 | D | 32.4 | Very low | 33.3 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -61.3 | -26.9 | -169.6 | -94 | -59.3 | 0 | 0 | 0 | 115.1 | F217 F221 R222 | F217-D219 PolarHBondContact O-N 3.26Å; D219-F221 VanDerWaalsContact C-N 3.28Å; D219-F221 PolarHBondContact O-N 3.41Å; D219-R222 PolarHBondContact O-N 3.21Å |
| 220 | H | 35.9 | Very low | 32.9 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -69.2 | -20 | -174.2 | -76.3 | -61 | 0 | 0 | 0 | 114.5 | E218 | E218-H220 VanDerWaalsContact C-N 3.26Å; E218-H220 PolarHBondContact O-N 3.09Å; E218-H220 VanDerWaalsContact O-N 3.1Å |
| 221 | F | 35.1 | Very low | 33.3 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 58% | 0.583 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -93.6 | -20.5 | 177.5 | -81.5 | -82.9 | 0 | 0 | 0 | 114.2 | E218 D219 Q223 | E218-F221 PolarHBondContact O-N 3.36Å; D219-F221 VanDerWaalsContact C-N 3.28Å; D219-F221 PolarHBondContact O-N 3.41Å; F221-Q223 VanDerWaalsContact C-N 3.32Å; F221-Q223 PolarHBondContact O-N 2.99Å |
| 222 | R | 36.8 | Very low | 33.5 | Very low | 193 Ų | 193 | 138 Ų | 138 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -66.5 | -34 | 175.5 | -66.3 | -100.4 | 70.5 | -160.9 | 3.5 | 112 | D219 N224 G225 | D219-R222 PolarHBondContact O-N 3.21Å; R222-N224 VanDerWaalsContact C-N 3.32Å; R222-N224 PolarHBondContact O-N 2.91Å; R222-G225 PolarHBondContact O-N 3.38Å |
| 223 | Q | 30 | Very low | 33.9 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -71.8 | -19.5 | -174.6 | -163.4 | 167 | 88.3 | 0 | 0 | 114.4 | F221 G225 | F221-Q223 VanDerWaalsContact C-N 3.32Å; F221-Q223 PolarHBondContact O-N 2.99Å; Q223-G225 PolarHBondContact O-N 3.33Å |
| 224 | N | 29.9 | Very low | 33.7 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -85.4 | 11.6 | 174.5 | -159.3 | 91 | 0 | 0 | 0 | 113 | R222 | R222-N224 VanDerWaalsContact C-N 3.32Å; R222-N224 PolarHBondContact O-N 2.91Å |
| 225 | G | 34.2 | Very low | 34.5 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -85.3 | -1.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | R222 Q223 | R222-G225 PolarHBondContact O-N 3.38Å; Q223-G225 PolarHBondContact O-N 3.33Å |
| 226 | S | 31.4 | Very low | 34.6 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | trans | -126.7 | 42.8 | -168.9 | -167.4 | 0 | 0 | 0 | 0 | 114.9 | G228 | S226-G228 VanDerWaalsContact C-N 3.29Å; S226-G228 PolarHBondContact O-N 3.46Å; S226-G228 VanDerWaalsContact O-N 3.09Å | ||
| 227 | A | 32 | Very low | 34.9 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 65% | 0.645 | 71% | 0.71 | S | S | * | * | trans | -77.8 | 83.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109 | W229 | A227-W229 PolarHBondContact O-N 2.94Š| ||
| 228 | G | 34.6 | Very low | 35.8 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | -67.3 | 89.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S226 | S226-G228 VanDerWaalsContact C-N 3.29Å; S226-G228 PolarHBondContact O-N 3.46Å; S226-G228 VanDerWaalsContact O-N 3.09Å | ||
| 229 | W | 32.1 | Very low | 36.6 | Very low | 236 Ų | 236 | 132.5 Ų | 132.5 | 89% | 0.894 | 71% | 0.706 | S | S | * | * | trans | -76.2 | 127.1 | 159 | -69.2 | 86.8 | 0 | 0 | 0 | 108.3 | A227 D231 | A227-W229 PolarHBondContact O-N 2.94Å; W229-D231 PolarHBondContact O-N 2.9Å; W229-D231 VanDerWaalsContact O-N 3.09Å | ||
| 230 | T | 36.7 | Very low | 37.7 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | trans | -73.8 | 94.2 | 170.1 | 46.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 231 | D | 35.8 | Very low | 38.9 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 52% | 0.519 | 68% | 0.682 | S | S | . | * | trans | -124.9 | 84.9 | 160.8 | -159.2 | -44.4 | 0 | 0 | 0 | 109.4 | W229 A233 D234 | W229-D231 PolarHBondContact O-N 2.9Å; W229-D231 VanDerWaalsContact O-N 3.09Å; D231-A233 VanDerWaalsContact C-N 3.35Å; D231-A233 PolarHBondContact OD1-N 3.25Å; D231-A233 VanDerWaalsContact OD1-N 3.08Å; D231-D234 PolarHBondContact OD1-N 3.47Å | ||
| 232 | E | 34.7 | Very low | 40.3 | Very low | 187 Ų | 187 | 120.1 Ų | 120.1 | 87% | 0.874 | 66% | 0.661 | S | S | * | * | trans | -106.5 | 43 | 163.8 | -82.1 | -87.4 | 87.2 | 0 | 0 | 107.9 | ||||
| 233 | A | 38.6 | Very low | 42.1 | Very low | 88 Ų | 88 | 114.4 Ų | 114.4 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -129.3 | -41.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D231 | D231-A233 VanDerWaalsContact C-N 3.35Å; D231-A233 PolarHBondContact OD1-N 3.25Å; D231-A233 VanDerWaalsContact OD1-N 3.08Å |
| 234 | D | 34.3 | Very low | 44.4 | Very low | 76 Ų | 76 | 114.7 Ų | 114.7 | 41% | 0.406 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -104.3 | 5.1 | -171.9 | -122.6 | -40.8 | 0 | 0 | 0 | 115.5 | D231 N236 R237 G238 | D231-D234 PolarHBondContact OD1-N 3.47Å; D234-N236 PolarHBondContact O-N 2.93Å; D234-R237 PolarHBondContact O-N 2.83Å; D234-R237 VanDerWaalsContact OD1-CB 3.31Å; D234-R237 WeakPolarHBondContact OD1-CB 3.45Å; D234-R237 VanDerWaalsContact OD1-CD 3.24Å; D234-R237 WeakPolarHBondContact OD1-CD 3.25Å; D234-R237 WeakPolarHBondContact OD1-CG 3.08Å; D234-G238 PolarHBondContact O-N 3.5Å |
| 235 | S | 43.4 | Very low | 46.8 | Very low | 95 Ų | 95 | 108.9 Ų | 108.9 | 66% | 0.664 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -19.3 | 179 | -67.1 | 0 | 0 | 0 | 0 | 115 | ||
| 236 | N | 40.7 | Very low | 49.1 | Very low | 162 Ų | 162 | 107.8 Ų | 107.8 | 87% | 0.866 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -8 | 178.8 | -158.3 | 35.5 | 0 | 0 | 0 | 114.8 | D234 | D234-N236 PolarHBondContact O-N 2.93Š|
| 237 | R | 43.7 | Very low | 51.5 | Low | 193 Ų | 193 | 104.8 Ų | 104.8 | 73% | 0.728 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -35.6 | 173.6 | -63.3 | -178.5 | 168.7 | 157.5 | -7.7 | 112.8 | D234 R239 G240 | D234-R237 PolarHBondContact O-N 2.83Å; D234-R237 VanDerWaalsContact OD1-CB 3.31Å; D234-R237 WeakPolarHBondContact OD1-CB 3.45Å; D234-R237 VanDerWaalsContact OD1-CD 3.24Å; D234-R237 WeakPolarHBondContact OD1-CD 3.25Å; D234-R237 WeakPolarHBondContact OD1-CG 3.08Å; R237-R239 PolarHBondContact O-N 2.91Å; R237-G240 PolarHBondContact O-N 3.48Å |
| 238 | G | 48.3 | Very low | 53.8 | Low | 31 Ų | 31 | 105.7 Ų | 105.7 | 32% | 0.32 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -57.2 | -25.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D234 G240 E241 A242 | D234-G238 PolarHBondContact O-N 3.5Å; G238-G240 VanDerWaalsContact C-N 3.34Å; G238-G240 PolarHBondContact O-N 3.48Å; G238-E241 PolarHBondContact O-N 3.07Å; G238-A242 WeakPolarHBondContact O-CB 3.36Å; G238-A242 PolarHBondContact O-N 3.04Å |
| 239 | R | 47.3 | Very low | 56.1 | Low | 223 Ų | 223 | 102.5 Ų | 102.5 | 84% | 0.842 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65 | -34.6 | -179.5 | -156.9 | 179.1 | -159 | -139 | 3.6 | 113.2 | R237 S243 | R237-R239 PolarHBondContact O-N 2.91Å; R239-S243 PolarHBondContact O-OG 3.48Å |
| 240 | G | 55.7 | Low | 58.4 | Low | 43 Ų | 43 | 93.7 Ų | 93.7 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -78.7 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R237 G238 S243 R244 | R237-G240 PolarHBondContact O-N 3.48Å; G238-G240 VanDerWaalsContact C-N 3.34Å; G238-G240 PolarHBondContact O-N 3.48Å; G240-S243 PolarHBondContact O-N 3.41Å; G240-R244 WeakPolarHBondContact O-CG 3.24Å; G240-R244 PolarHBondContact O-N 2.87Å |
| 241 | E | 62 | Low | 60.5 | Low | 92 Ų | 92 | 93.4 Ų | 93.4 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -47.1 | -178 | -169.2 | 176.1 | -126.3 | 0 | 0 | 112.4 | G238 S243 R244 D245 R278 | G238-E241 PolarHBondContact O-N 3.07Å; E241-S243 VanDerWaalsContact C-N 3.28Å; E241-S243 PolarHBondContact O-N 3.4Å; E241-R244 WeakPolarHBondContact O-CA 3.41Å; E241-R244 WeakPolarHBondContact O-CB 3.32Å; E241-R244 PolarHBondContact O-N 3.44Å; E241-D245 PolarHBondContact O-N 2.74Å; E241-R278 IonicContact OE2-CZ 2.64Å; E241-R278 IonicContact OE2-NH1 2.62Å; E241-R278 IonicContact OE2-NH2 2.78Å; E241-R278 PolarHBondContact OE2-NH2 3.38Å |
| 242 | A | 64.4 | Low | 62.3 | Low | 17 Ų | 17 | 92.2 Ų | 92.2 | 14% | 0.14 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -57.4 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G238 R244 D245 F246 | G238-A242 WeakPolarHBondContact O-CB 3.36Å; G238-A242 PolarHBondContact O-N 3.04Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 3.12Å; A242-D245 WeakPolarHBondContact O-CB 3.41Å; A242-D245 PolarHBondContact O-N 2.9Å; A242-F246 HydrophobicContact CB-CE2 4.37Å; A242-F246 WeakPolarHBondContact O-CD2 3.4Å; A242-F246 PolarHBondContact O-N 3.47Å |
| 243 | S | 73.5 | Confident | 64.1 | Low | 73 Ų | 73 | 86.8 Ų | 86.8 | 51% | 0.51 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61 | -33.9 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 112.7 | R239 G240 E241 A247 | R239-S243 PolarHBondContact O-OG 3.48Å; G240-S243 PolarHBondContact O-N 3.41Å; E241-S243 VanDerWaalsContact C-N 3.28Å; E241-S243 PolarHBondContact O-N 3.4Å; S243-A247 PolarHBondContact O-N 2.91Å |
| 244 | R | 79.6 | Confident | 65.7 | Low | 186 Ų | 186 | 89.5 Ų | 89.5 | 70% | 0.702 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -74.6 | -37.7 | 174.9 | -65.7 | 169.1 | 78.3 | -145.9 | 8.4 | 112 | G240 E241 A242 F246 A247 K248 | G240-R244 WeakPolarHBondContact O-CG 3.24Å; G240-R244 PolarHBondContact O-N 2.87Å; E241-R244 WeakPolarHBondContact O-CA 3.41Å; E241-R244 WeakPolarHBondContact O-CB 3.32Å; E241-R244 PolarHBondContact O-N 3.44Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 3.12Å; R244-F246 VanDerWaalsContact C-N 3.3Å; R244-F246 PolarHBondContact O-N 3.14Å; R244-A247 PolarHBondContact O-N 3.09Å; R244-K248 WeakPolarHBondContact O-CB 3.44Å; R244-K248 PolarHBondContact O-N 3.4Å |
| 245 | D | 80.1 | Confident | 67.6 | Low | 19 Ų | 19 | 88.3 Ų | 88.3 | 10% | 0.102 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 171.3 | -73.3 | -25.1 | 0 | 0 | 0 | 110.8 | E241 A242 L249 R278 I279 V286 | E241-D245 PolarHBondContact O-N 2.74Å; A242-D245 WeakPolarHBondContact O-CB 3.41Å; A242-D245 PolarHBondContact O-N 2.9Å; D245-L249 PolarHBondContact O-N 3.11Å; D245-R278 IonicContact OD2-NE 2.99Å; D245-I279 HydrophobicContact CB-CB 4.31Å; D245-I279 HydrophobicContact CB-CD1 3.89Å; D245-I279 WeakPolarHBondContact O-CD1 3.37Å; D245-V286 HydrophobicContact CB-CG1 4.22Å; D245-V286 WeakPolarHBondContact OD1-CG1 3.33Å |
| 246 | F | 81.4 | Confident | 69.4 | Low | 46 Ų | 46 | 88 Ų | 88 | 20% | 0.202 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.6 | -53 | 175.4 | -73.8 | -66.7 | 0 | 0 | 0 | 112.1 | A242 R244 K248 L249 Y250 F266 V276 I279 | A242-F246 HydrophobicContact CB-CE2 4.37Å; A242-F246 WeakPolarHBondContact O-CD2 3.4Å; A242-F246 PolarHBondContact O-N 3.47Å; R244-F246 VanDerWaalsContact C-N 3.3Å; R244-F246 PolarHBondContact O-N 3.14Å; F246-K248 PolarHBondContact O-N 2.9Å; F246-L249 PolarHBondContact O-N 2.89Å; F246-Y250 WeakPolarHBondContact O-CD2 3.27Å; F246-F266 HydrophobicContact CD1-CE1 4.26Å; F246-F266 AromaticContact CD1-CE2 3.88Å; F246-F266 HydrophobicContact CD1-CE2 3.88Å; F246-F266 AromaticContact CD1-CZ 3.69Å; F246-F266 HydrophobicContact CD1-CZ 3.69Å; F246-F266 HydrophobicContact CE1-CD1 4.37Å; F246-F266 AromaticContact CE1-CE1 3.8Å; F246-F266 HydrophobicContact CE1-CE1 3.8Å; F246-F266 HydrophobicContact CE1-CE2 4.21Å; F246-F266 AromaticContact CE1-CZ 3.71Å; F246-F266 HydrophobicContact CE1-CZ 3.71Å; F246-V276 HydrophobicContact CE1-CB 4.29Å; F246-V276 HydrophobicContact CE1-CG1 3.91Å; F246-V276 HydrophobicContact CZ-CB 4.17Å; F246-V276 HydrophobicContact CZ-CG1 3.81Å; F246-V276 VanDerWaalsContact CZ-O 3.24Å; F246-V276 WeakPolarHBondContact CZ-O 3.46Å; F246-I279 HydrophobicContact CB-CD1 4.29Å; F246-I279 HydrophobicContact CD1-CD1 3.38Å; F246-I279 HydrophobicContact CD1-CG1 4.07Å; F246-I279 HydrophobicContact CD2-CD1 4.46Å; F246-I279 HydrophobicContact CE1-CD1 3.58Å; F246-I279 HydrophobicContact CE1-CG1 3.72Å; F246-I279 HydrophobicContact CG-CD1 3.81Å; F246-I279 HydrophobicContact CZ-CD1 4.17Å; F246-I279 HydrophobicContact CZ-CG1 4.15Å |
| 247 | A | 81.6 | Confident | 71.5 | Confident | 42 Ų | 42 | 86.6 Ų | 86.6 | 35% | 0.347 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -52.1 | -45.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S243 R244 L249 Y250 E251 | S243-A247 PolarHBondContact O-N 2.91Å; R244-A247 PolarHBondContact O-N 3.09Å; A247-L249 VanDerWaalsContact C-N 3.28Å; A247-L249 PolarHBondContact O-N 2.56Å; A247-Y250 PolarHBondContact O-N 2.96Å; A247-E251 WeakPolarHBondContact O-CG 3.39Å; A247-E251 PolarHBondContact O-N 3.22Å |
| 248 | K | 82 | Confident | 73.6 | Confident | 97 Ų | 97 | 77.4 Ų | 77.4 | 42% | 0.422 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.3 | -36 | 178.6 | -169.1 | 167.8 | -177.7 | 170.2 | 0 | 113.3 | R244 F246 Y250 E251 L252 V286 | R244-K248 WeakPolarHBondContact O-CB 3.44Å; R244-K248 PolarHBondContact O-N 3.4Å; F246-K248 PolarHBondContact O-N 2.9Å; K248-Y250 VanDerWaalsContact C-N 3.33Å; K248-Y250 PolarHBondContact O-N 3.04Å; K248-E251 PolarHBondContact O-N 3.06Å; K248-L252 WeakPolarHBondContact O-CG 3.43Å; K248-L252 PolarHBondContact O-N 3.41Å; K248-L252 VanDerWaalsContact O-N 3.11Å; K248-V286 HydrophobicContact CB-CG2 4.4Å; K248-V286 HydrophobicContact CD-CG1 4.32Å; K248-V286 HydrophobicContact CD-CG2 3.78Å; K248-V286 HydrophobicContact CG-CG2 3.88Å |
| 249 | L | 81.9 | Confident | 75.4 | Confident | 2 Ų | 2 | 80.1 Ų | 80.1 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66 | -31.4 | 175.4 | -69 | -172.9 | 0 | 0 | 0 | 113.4 | D245 F246 A247 E251 L252 R258 L262 F266 I279 V286 L289 | D245-L249 PolarHBondContact O-N 3.11Å; F246-L249 PolarHBondContact O-N 2.89Å; A247-L249 VanDerWaalsContact C-N 3.28Å; A247-L249 PolarHBondContact O-N 2.56Å; L249-E251 VanDerWaalsContact C-N 3.3Å; L249-L252 HydrophobicContact CD2-CD1 3.89Å; L249-R258 WeakPolarHBondContact O-CD 3.47Å; L249-L262 HydrophobicContact CB-CD1 3.88Å; L249-L262 HydrophobicContact CD1-CD2 4.27Å; L249-F266 HydrophobicContact CD1-CZ 4.18Å; L249-I279 HydrophobicContact CD1-CD1 3.45Å; L249-I279 VanDerWaalsContact CD1-CD1 3.45Å; L249-I279 HydrophobicContact CD1-CG1 3.84Å; L249-I279 HydrophobicContact CD1-CG2 4.11Å; L249-I279 HydrophobicContact CG-CD1 3.88Å; L249-V286 HydrophobicContact CD2-CB 4.39Å; L249-V286 HydrophobicContact CD2-CG2 4.01Å; L249-L289 HydrophobicContact CD1-CD1 4.14Å; L249-L289 HydrophobicContact CD1-CG 4.24Å |
| 250 | Y | 80.6 | Confident | 77.4 | Confident | 51 Ų | 51 | 75.7 Ų | 75.7 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -79.8 | -11.6 | 174.9 | -62.9 | -85.5 | 0 | 0 | 0 | 113.4 | F246 A247 K248 K259 L262 D263 F266 | F246-Y250 WeakPolarHBondContact O-CD2 3.27Å; A247-Y250 PolarHBondContact O-N 2.96Å; K248-Y250 VanDerWaalsContact C-N 3.33Å; K248-Y250 PolarHBondContact O-N 3.04Å; Y250-K259 HydrophobicContact CD1-CB 4.02Å; Y250-K259 HydrophobicContact CD1-CD 4.28Å; Y250-K259 HydrophobicContact CD1-CG 3.99Å; Y250-K259 HydrophobicContact CE1-CB 4.39Å; Y250-K259 WeakPolarHBondContact O-CE 3.4Å; Y250-K259 PolarHBondContact O-NZ 3.35Å; Y250-L262 HydrophobicContact CD1-CB 4.41Å; Y250-L262 HydrophobicContact CD1-CD1 3.93Å; Y250-L262 HydrophobicContact CE1-CB 3.67Å; Y250-L262 HydrophobicContact CE1-CD1 4.01Å; Y250-L262 HydrophobicContact CG-CD1 4.24Å; Y250-D263 PolarHBondContact OH-OD1 3.48Å; Y250-F266 HydrophobicContact CE2-CE2 4.33Å; Y250-F266 WeakPolarHBondContact OH-CD2 3.06Å; Y250-F266 WeakPolarHBondContact OH-CE2 3.28Å |
| 251 | E | 80.4 | Confident | 79.1 | Confident | 141 Ų | 141 | 74.5 Ų | 74.5 | 66% | 0.659 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -102.6 | -18.1 | -177.9 | -69.7 | 172.2 | 178.3 | 0 | 0 | 113.4 | A247 K248 L249 D253 | A247-E251 WeakPolarHBondContact O-CG 3.39Å; A247-E251 PolarHBondContact O-N 3.22Å; K248-E251 PolarHBondContact O-N 3.06Å; L249-E251 VanDerWaalsContact C-N 3.3Å; E251-D253 VanDerWaalsContact C-N 3.28Å; E251-D253 PolarHBondContact O-N 3.21Å |
| 252 | L | 75.1 | Confident | 80.4 | Confident | 72 Ų | 72 | 70.1 Ų | 70.1 | 38% | 0.377 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -60.6 | -28.8 | -177.2 | -83.7 | 172.4 | 0 | 0 | 0 | 114.6 | K248 L249 V286 D288 | K248-L252 WeakPolarHBondContact O-CG 3.43Å; K248-L252 PolarHBondContact O-N 3.41Å; K248-L252 VanDerWaalsContact O-N 3.11Å; L249-L252 HydrophobicContact CD2-CD1 3.89Å; L252-V286 HydrophobicContact CD1-CG2 4.27Å; L252-D288 HydrophobicContact CD1-CB 3.99Å |
| 253 | D | 71.8 | Confident | 81.6 | Confident | 74 Ų | 74 | 73.4 Ų | 73.4 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | trans | -151.6 | 147.7 | 168.5 | -76.7 | -76 | 0 | 0 | 0 | 110.2 | E251 D255 R258 | E251-D253 VanDerWaalsContact C-N 3.28Å; E251-D253 PolarHBondContact O-N 3.21Å; D253-D255 VanDerWaalsContact C-N 3.28Å; D253-D255 PolarHBondContact O-N 2.91Å; D253-R258 IonicContact OD2-CZ 2.71Å; D253-R258 IonicContact OD2-NH1 3.07Å; D253-R258 PolarHBondContact OD2-NH1 3.37Å; D253-R258 IonicContact OD2-NH2 2.8Å; D253-R258 PolarHBondContact OD2-NH2 3.12Å | ||
| 254 | N | 70.9 | Confident | 82.4 | Confident | 145 Ų | 145 | 72.6 Ų | 72.6 | 78% | 0.775 | 35% | 0.354 | S | S | * | . | trans | -87.4 | 27.2 | 179.5 | -71.8 | -71.2 | 0 | 0 | 0 | 114.3 | P256 | N254-P256 WeakPolarHBondContact O-CD 3.23Š| ||
| 255 | D | 76.3 | Confident | 82.9 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | trans | -76.9 | 121.1 | 172.1 | -173.3 | -19.5 | 0 | 0 | 0 | 109.9 | D253 K257 R258 Y290 | D253-D255 VanDerWaalsContact C-N 3.28Å; D253-D255 PolarHBondContact O-N 2.91Å; D255-K257 PolarHBondContact O-N 3.23Å; D255-K257 VanDerWaalsContact O-N 3.13Å; D255-K257 VanDerWaalsContact OD1-CB 3.3Å; D255-K257 WeakPolarHBondContact OD1-CB 3.36Å; D255-K257 WeakPolarHBondContact OD1-CG 3.25Å; D255-K257 PolarHBondContact OD1-N 3.22Å; D255-R258 WeakPolarHBondContact O-CB 3.24Å; D255-R258 PolarHBondContact O-N 3.17Å; D255-Y290 PolarHBondContact OD2-OH 2.91Å | ||
| 256 | P | 80.3 | Confident | 83.3 | Confident | 89 Ų | 89 | 64.4 Ų | 64.4 | 58% | 0.578 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -51.3 | -36.5 | 175.7 | -27.8 | 35.8 | 0 | 0 | 0 | 113.4 | N254 R258 K259 E260 | N254-P256 WeakPolarHBondContact O-CD 3.23Å; P256-R258 PolarHBondContact O-N 2.83Å; P256-K259 PolarHBondContact O-N 3.44Å; P256-K259 VanDerWaalsContact O-N 3.08Å; P256-E260 PolarHBondContact O-N 3.5Å |
| 257 | K | 84.8 | Confident | 83.7 | Confident | 132 Ų | 132 | 65.3 Ų | 65.3 | 57% | 0.574 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67 | -19.6 | -178.9 | -61.7 | 167.4 | -177 | 167.2 | 0 | 112.9 | D255 F261 | D255-K257 PolarHBondContact O-N 3.23Å; D255-K257 VanDerWaalsContact O-N 3.13Å; D255-K257 VanDerWaalsContact OD1-CB 3.3Å; D255-K257 WeakPolarHBondContact OD1-CB 3.36Å; D255-K257 WeakPolarHBondContact OD1-CG 3.25Å; D255-K257 PolarHBondContact OD1-N 3.22Å; K257-F261 WeakPolarHBondContact O-CB 3.28Å; K257-F261 PolarHBondContact O-N 3.35Å; K257-F261 VanDerWaalsContact O-N 3.12Å |
| 258 | R | 88.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 171.9 | 176.2 | 163.2 | -64.4 | 178.5 | 13.7 | 110.8 | L249 D253 D255 P256 F261 L262 D288 Y290 | L249-R258 WeakPolarHBondContact O-CD 3.47Å; D253-R258 IonicContact OD2-CZ 2.71Å; D253-R258 IonicContact OD2-NH1 3.07Å; D253-R258 PolarHBondContact OD2-NH1 3.37Å; D253-R258 IonicContact OD2-NH2 2.8Å; D253-R258 PolarHBondContact OD2-NH2 3.12Å; D255-R258 WeakPolarHBondContact O-CB 3.24Å; D255-R258 PolarHBondContact O-N 3.17Å; P256-R258 PolarHBondContact O-N 2.83Å; R258-F261 PolarHBondContact O-N 3.37Å; R258-L262 HydrophobicContact CG-CD1 3.79Å; R258-L262 HydrophobicContact CG-CG 4.35Å; R258-L262 WeakPolarHBondContact O-CB 3.44Å; R258-L262 VanDerWaalsContact O-CG 3.25Å; R258-L262 WeakPolarHBondContact O-CG 3.06Å; R258-L262 PolarHBondContact O-N 3.01Å; R258-D288 IonicContact CZ-OD1 2.62Å; R258-D288 IonicContact CZ-OD2 3.93Å; R258-D288 IonicContact NE-OD2 2.82Å; R258-D288 IonicContact NH1-OD2 3.09Å; R258-D288 PolarHBondContact NH1-OD2 2.85Å; R258-D288 IonicContact NH2-OD2 3.93Å; R258-D288 PolarHBondContact NH2-OD2 3.3Å; R258-Y290 HydrophobicContact CB-CD1 4.37Å; R258-Y290 HydrophobicContact CB-CD2 4.13Å; R258-Y290 HydrophobicContact CB-CE2 4.34Å; R258-Y290 HydrophobicContact CB-CG 4.13Å; R258-Y290 HydrophobicContact CG-CD1 4.44Å; R258-Y290 HydrophobicContact CG-CD2 4.36Å; R258-Y290 HydrophobicContact CG-CG 4.02Å; R258-Y290 VanDerWaalsContact NE-CD1 3.29Å; R258-Y290 VanDerWaalsContact NH2-CD1 3.33Å |
| 259 | K | 85.6 | Confident | 84.3 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 38% | 0.378 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.1 | -49.7 | -177.1 | -49.2 | -156.8 | 177.3 | -168.2 | 0 | 110.2 | Y250 P256 F261 L262 D263 | Y250-K259 HydrophobicContact CD1-CB 4.02Å; Y250-K259 HydrophobicContact CD1-CD 4.28Å; Y250-K259 HydrophobicContact CD1-CG 3.99Å; Y250-K259 HydrophobicContact CE1-CB 4.39Å; Y250-K259 WeakPolarHBondContact O-CE 3.4Å; Y250-K259 PolarHBondContact O-NZ 3.35Å; P256-K259 PolarHBondContact O-N 3.44Å; P256-K259 VanDerWaalsContact O-N 3.08Å; K259-F261 VanDerWaalsContact C-N 3.31Å; K259-F261 PolarHBondContact O-N 3.48Å; K259-L262 PolarHBondContact O-N 3.23Å; K259-L262 VanDerWaalsContact O-N 3.14Å; K259-D263 PolarHBondContact O-N 3.37Å |
| 260 | E | 89.3 | Confident | 84.6 | Confident | 130 Ų | 130 | 65.7 Ų | 65.7 | 61% | 0.607 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -52.5 | -45.1 | 173.1 | -65.4 | 172.3 | 179.8 | 0 | 0 | 112.9 | P256 D264 | P256-E260 PolarHBondContact O-N 3.5Å; E260-D264 WeakPolarHBondContact O-CB 3.32Å; E260-D264 PolarHBondContact O-N 3.47Å; E260-D264 VanDerWaalsContact O-N 3.1Å |
| 261 | F | 90.5 | Very high | 84.9 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 177.6 | 168.7 | -89.4 | 0 | 0 | 0 | 112.7 | K257 R258 K259 D264 L265 Y290 Y293 L339 Y342 | K257-F261 WeakPolarHBondContact O-CB 3.28Å; K257-F261 PolarHBondContact O-N 3.35Å; K257-F261 VanDerWaalsContact O-N 3.12Å; R258-F261 PolarHBondContact O-N 3.37Å; K259-F261 VanDerWaalsContact C-N 3.31Å; K259-F261 PolarHBondContact O-N 3.48Å; F261-D264 PolarHBondContact O-N 2.66Å; F261-L265 HydrophobicContact CD1-CD2 4.44Å; F261-L265 HydrophobicContact CE1-CB 4.41Å; F261-L265 HydrophobicContact CE1-CD2 3.57Å; F261-L265 HydrophobicContact CZ-CD2 3.79Å; F261-L265 WeakPolarHBondContact O-CB 3.36Å; F261-L265 PolarHBondContact O-N 3.47Å; F261-Y290 HydrophobicContact CB-CD2 3.76Å; F261-Y290 HydrophobicContact CB-CE2 4.15Å; F261-Y290 AromaticContact CD1-CD2 3.65Å; F261-Y290 HydrophobicContact CD1-CD2 3.65Å; F261-Y290 HydrophobicContact CD1-CG 4.25Å; F261-Y290 HydrophobicContact CD2-CD2 4.49Å; F261-Y290 HydrophobicContact CE1-CD2 4.37Å; F261-Y290 AromaticContact CG-CD2 3.71Å; F261-Y290 HydrophobicContact CG-CD2 3.71Å; F261-Y290 HydrophobicContact CG-CE2 4.41Å; F261-Y293 HydrophobicContact CD2-CD1 4.11Å; F261-Y293 HydrophobicContact CD2-CE1 4.39Å; F261-Y293 AromaticContact CE2-CD1 3.26Å; F261-Y293 HydrophobicContact CE2-CD1 3.26Å; F261-Y293 HydrophobicContact CE2-CD2 4.24Å; F261-Y293 AromaticContact CE2-CE1 3.72Å; F261-Y293 HydrophobicContact CE2-CE1 3.72Å; F261-Y293 AromaticContact CE2-CG 3.56Å; F261-Y293 HydrophobicContact CE2-CG 3.56Å; F261-Y293 AromaticContact CZ-CD1 3.75Å; F261-Y293 HydrophobicContact CZ-CD1 3.75Å; F261-Y293 HydrophobicContact CZ-CD2 4.33Å; F261-Y293 AromaticContact CZ-CG 3.6Å; F261-Y293 HydrophobicContact CZ-CG 3.6Å; F261-L339 HydrophobicContact CZ-CD2 4.06Å; F261-Y342 HydrophobicContact CD2-CE1 4.02Å; F261-Y342 HydrophobicContact CE2-CD1 4.21Å; F261-Y342 AromaticContact CE2-CE1 3.47Å; F261-Y342 HydrophobicContact CE2-CE1 3.47Å; F261-Y342 VanDerWaalsContact CE2-CE1 3.47Å; F261-Y342 AromaticContact CE2-CZ 3.98Å; F261-Y342 HydrophobicContact CZ-CE1 4.36Å |
| 262 | L | 89.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -43.2 | -179.1 | -72.8 | 171.6 | 0 | 0 | 0 | 110.8 | L249 Y250 R258 K259 L265 F266 L289 | L249-L262 HydrophobicContact CB-CD1 3.88Å; L249-L262 HydrophobicContact CD1-CD2 4.27Å; Y250-L262 HydrophobicContact CD1-CB 4.41Å; Y250-L262 HydrophobicContact CD1-CD1 3.93Å; Y250-L262 HydrophobicContact CE1-CB 3.67Å; Y250-L262 HydrophobicContact CE1-CD1 4.01Å; Y250-L262 HydrophobicContact CG-CD1 4.24Å; R258-L262 HydrophobicContact CG-CD1 3.79Å; R258-L262 HydrophobicContact CG-CG 4.35Å; R258-L262 WeakPolarHBondContact O-CB 3.44Å; R258-L262 VanDerWaalsContact O-CG 3.25Å; R258-L262 WeakPolarHBondContact O-CG 3.06Å; R258-L262 PolarHBondContact O-N 3.01Å; K259-L262 PolarHBondContact O-N 3.23Å; K259-L262 VanDerWaalsContact O-N 3.14Å; L262-L265 PolarHBondContact O-N 2.86Å; L262-F266 HydrophobicContact CB-CD2 4.34Å; L262-F266 HydrophobicContact CB-CE2 3.94Å; L262-F266 HydrophobicContact CD2-CE2 4.2Å; L262-F266 HydrophobicContact CD2-CZ 4.06Å; L262-F266 WeakPolarHBondContact O-CB 3.41Å; L262-F266 WeakPolarHBondContact O-CD2 3.49Å; L262-F266 VanDerWaalsContact O-CG 3.24Å; L262-F266 WeakPolarHBondContact O-CG 3.49Å; L262-F266 PolarHBondContact O-N 3.42Å; L262-L289 HydrophobicContact CD2-CB 4.36Å |
| 263 | D | 89.6 | Confident | 85.3 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.9 | -70.9 | -30.6 | 0 | 0 | 0 | 111.8 | Y250 K259 T267 | Y250-D263 PolarHBondContact OH-OD1 3.48Å; K259-D263 PolarHBondContact O-N 3.37Å; D263-T267 WeakPolarHBondContact O-CB 3.39Å; D263-T267 PolarHBondContact O-N 2.88Å; D263-T267 PolarHBondContact O-OG1 2.83Å |
| 264 | D | 92 | Very high | 85.9 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 175.7 | -177.4 | 51.2 | 0 | 0 | 0 | 111.8 | E260 F261 T267 F268 Y342 R346 | E260-D264 WeakPolarHBondContact O-CB 3.32Å; E260-D264 PolarHBondContact O-N 3.47Å; E260-D264 VanDerWaalsContact O-N 3.1Å; F261-D264 PolarHBondContact O-N 2.66Å; D264-T267 PolarHBondContact O-N 3.11Å; D264-F268 WeakPolarHBondContact O-CB 3.46Å; D264-F268 PolarHBondContact O-N 3.41Å; D264-Y342 VanDerWaalsContact OD2-CE2 3.22Å; D264-Y342 WeakPolarHBondContact OD2-CE2 3.43Å; D264-Y342 PolarHBondContact OD2-OH 2.76Å; D264-R346 IonicContact OD2-CZ 2.64Å; D264-R346 IonicContact OD2-NH1 2.75Å; D264-R346 PolarHBondContact OD2-NH1 2.86Å |
| 265 | L | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 178.8 | 176.1 | 64.7 | 0 | 0 | 0 | 112.6 | F261 L262 M269 L289 L339 Y342 | F261-L265 HydrophobicContact CD1-CD2 4.44Å; F261-L265 HydrophobicContact CE1-CB 4.41Å; F261-L265 HydrophobicContact CE1-CD2 3.57Å; F261-L265 HydrophobicContact CZ-CD2 3.79Å; F261-L265 WeakPolarHBondContact O-CB 3.36Å; F261-L265 PolarHBondContact O-N 3.47Å; L262-L265 PolarHBondContact O-N 2.86Å; L265-M269 HydrophobicContact CD1-CE 3.65Å; L265-M269 HydrophobicContact CD2-CE 4.22Å; L265-M269 HydrophobicContact CG-CE 3.55Å; L265-M269 WeakPolarHBondContact O-CE 3.36Å; L265-M269 PolarHBondContact O-N 3.21Å; L265-L289 HydrophobicContact CD2-CB 4.26Å; L265-L289 HydrophobicContact CD2-CD1 4.33Å; L265-L339 HydrophobicContact CD1-CD2 4.09Å; L265-L339 HydrophobicContact CD2-CD2 3.59Å; L265-Y342 HydrophobicContact CB-CE2 4.28Å; L265-Y342 HydrophobicContact CD1-CD1 4.25Å; L265-Y342 HydrophobicContact CD1-CD2 3.74Å; L265-Y342 HydrophobicContact CD1-CE2 4.29Å; L265-Y342 HydrophobicContact CD1-CG 3.69Å |
| 266 | F | 88.5 | Confident | 86.4 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.1 | -41.7 | 176.1 | -63.2 | -40.8 | 0 | 0 | 0 | 111.3 | F246 L249 Y250 L262 F268 M269 Q270 V276 L289 | F246-F266 HydrophobicContact CD1-CE1 4.26Å; F246-F266 AromaticContact CD1-CE2 3.88Å; F246-F266 HydrophobicContact CD1-CE2 3.88Å; F246-F266 AromaticContact CD1-CZ 3.69Å; F246-F266 HydrophobicContact CD1-CZ 3.69Å; F246-F266 HydrophobicContact CE1-CD1 4.37Å; F246-F266 AromaticContact CE1-CE1 3.8Å; F246-F266 HydrophobicContact CE1-CE1 3.8Å; F246-F266 HydrophobicContact CE1-CE2 4.21Å; F246-F266 AromaticContact CE1-CZ 3.71Å; F246-F266 HydrophobicContact CE1-CZ 3.71Å; L249-F266 HydrophobicContact CD1-CZ 4.18Å; Y250-F266 HydrophobicContact CE2-CE2 4.33Å; Y250-F266 WeakPolarHBondContact OH-CD2 3.06Å; Y250-F266 WeakPolarHBondContact OH-CE2 3.28Å; L262-F266 HydrophobicContact CB-CD2 4.34Å; L262-F266 HydrophobicContact CB-CE2 3.94Å; L262-F266 HydrophobicContact CD2-CE2 4.2Å; L262-F266 HydrophobicContact CD2-CZ 4.06Å; L262-F266 WeakPolarHBondContact O-CB 3.41Å; L262-F266 WeakPolarHBondContact O-CD2 3.49Å; L262-F266 VanDerWaalsContact O-CG 3.24Å; L262-F266 WeakPolarHBondContact O-CG 3.49Å; L262-F266 PolarHBondContact O-N 3.42Å; F266-F268 VanDerWaalsContact C-N 3.29Å; F266-F268 PolarHBondContact O-N 3.26Å; F266-M269 HydrophobicContact CD1-CE 4.29Å; F266-M269 PolarHBondContact O-N 3.31Å; F266-Q270 VanDerWaalsContact O-CB 3.32Å; F266-Q270 WeakPolarHBondContact O-CB 3.23Å; F266-Q270 PolarHBondContact O-N 2.91Å; F266-V276 HydrophobicContact CD1-CB 4.22Å; F266-V276 HydrophobicContact CD1-CG2 3.83Å; F266-V276 HydrophobicContact CE1-CB 4.32Å; F266-V276 HydrophobicContact CE1-CG1 4.36Å; F266-V276 HydrophobicContact CE1-CG2 4.09Å; F266-L289 HydrophobicContact CE1-CD1 4.15Å; F266-L289 HydrophobicContact CZ-CD1 4.48Å |
| 267 | T | 89.8 | Confident | 86.2 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 40% | 0.399 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59 | -41.1 | 173.7 | -64 | 0 | 0 | 0 | 0 | 111.7 | D263 D264 Q270 K271 | D263-T267 WeakPolarHBondContact O-CB 3.39Å; D263-T267 PolarHBondContact O-N 2.88Å; D263-T267 PolarHBondContact O-OG1 2.83Å; D264-T267 PolarHBondContact O-N 3.11Å; T267-Q270 PolarHBondContact O-N 2.95Å; T267-K271 HydrophobicContact CG2-CD 4.09Å; T267-K271 WeakPolarHBondContact O-CB 3.39Å; T267-K271 VanDerWaalsContact O-CG 3.26Å; T267-K271 WeakPolarHBondContact O-CG 3.44Å; T267-K271 PolarHBondContact O-N 3.47Å |
| 268 | F | 88.6 | Confident | 85.9 | Confident | 16 Ų | 16 | 64.9 Ų | 64.9 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.2 | -49.4 | 176.6 | 171 | -104.6 | 0 | 0 | 0 | 112.5 | D264 F266 Q270 K271 R272 P341 Y342 E345 | D264-F268 WeakPolarHBondContact O-CB 3.46Å; D264-F268 PolarHBondContact O-N 3.41Å; F266-F268 VanDerWaalsContact C-N 3.29Å; F266-F268 PolarHBondContact O-N 3.26Å; F268-Q270 VanDerWaalsContact C-N 3.33Å; F268-Q270 PolarHBondContact O-N 3.43Å; F268-K271 PolarHBondContact O-N 3.07Å; F268-R272 HydrophobicContact CE2-CG 4.27Å; F268-R272 HydrophobicContact CZ-CG 4.43Å; F268-R272 PolarHBondContact O-N 3.44Å; F268-P341 HydrophobicContact CE1-CB 4.16Å; F268-P341 HydrophobicContact CZ-CB 4.38Å; F268-Y342 HydrophobicContact CB-CD2 4.15Å; F268-Y342 AromaticContact CD1-CD2 3.68Å; F268-Y342 HydrophobicContact CD1-CD2 3.68Å; F268-Y342 HydrophobicContact CD1-CG 4.3Å; F268-Y342 HydrophobicContact CE1-CD2 4.17Å; F268-Y342 HydrophobicContact CE1-CG 4.42Å; F268-Y342 AromaticContact CG-CD2 3.89Å; F268-Y342 HydrophobicContact CG-CD2 3.89Å; F268-E345 HydrophobicContact CE2-CB 4.26Å; F268-E345 VanDerWaalsContact CE2-CD 3.5Å; F268-E345 HydrophobicContact CE2-CG 4.43Å; F268-E345 WeakPolarHBondContact CE2-OE1 3.41Å; F268-E345 WeakPolarHBondContact CE2-OE2 3.48Å; F268-E345 HydrophobicContact CZ-CB 4.3Å |
| 269 | M | 87.5 | Confident | 85.8 | Confident | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -35.9 | 176.5 | -87.1 | -176.1 | -75.7 | 0 | 0 | 112.8 | L265 F266 R272 G273 T274 V276 Y338 | L265-M269 HydrophobicContact CD1-CE 3.65Å; L265-M269 HydrophobicContact CD2-CE 4.22Å; L265-M269 HydrophobicContact CG-CE 3.55Å; L265-M269 WeakPolarHBondContact O-CE 3.36Å; L265-M269 PolarHBondContact O-N 3.21Å; F266-M269 HydrophobicContact CD1-CE 4.29Å; F266-M269 PolarHBondContact O-N 3.31Å; M269-R272 PolarHBondContact O-N 3.4Å; M269-G273 PolarHBondContact O-N 3.24Å; M269-T274 WeakPolarHBondContact CB-O 3.27Å; M269-T274 CarbonylContact O-C 3.58Å; M269-T274 PolarHBondContact O-N 3.23Å; M269-T274 PolarHBondContact O-OG1 3.19Å; M269-V276 HydrophobicContact CB-CG2 4.4Å; M269-V276 HydrophobicContact CE-CG2 3.38Å; M269-V276 HydrophobicContact SD-CG2 3.51Å; M269-V276 VanDerWaalsContact SD-CG2 3.51Å; M269-Y338 HydrophobicContact CE-CD1 4.41Å; M269-Y338 HydrophobicContact SD-CD1 3.78Å |
| 270 | Q | 87 | Confident | 85.8 | Confident | 126 Ų | 126 | 61.4 Ų | 61.4 | 59% | 0.589 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.4 | -47.6 | 172.6 | -168.1 | 69.6 | 50.8 | 0 | 0 | 111.5 | F266 T267 F268 R272 G273 | F266-Q270 VanDerWaalsContact O-CB 3.32Å; F266-Q270 WeakPolarHBondContact O-CB 3.23Å; F266-Q270 PolarHBondContact O-N 2.91Å; T267-Q270 PolarHBondContact O-N 2.95Å; F268-Q270 VanDerWaalsContact C-N 3.33Å; F268-Q270 PolarHBondContact O-N 3.43Å; Q270-R272 VanDerWaalsContact C-N 3.3Å; Q270-R272 PolarHBondContact O-N 2.87Å; Q270-G273 PolarHBondContact O-N 3.27Å; Q270-G273 VanDerWaalsContact O-N 3.12Å |
| 271 | K | 88.6 | Confident | 85.6 | Confident | 167 Ų | 167 | 59.1 Ų | 59.1 | 73% | 0.726 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.3 | -36 | 176.2 | -76.5 | 168 | 179.2 | 170.9 | 0 | 112.8 | T267 F268 G273 | T267-K271 HydrophobicContact CG2-CD 4.09Å; T267-K271 WeakPolarHBondContact O-CB 3.39Å; T267-K271 VanDerWaalsContact O-CG 3.26Å; T267-K271 WeakPolarHBondContact O-CG 3.44Å; T267-K271 PolarHBondContact O-N 3.47Å; F268-K271 PolarHBondContact O-N 3.07Å; K271-G273 PolarHBondContact O-N 3.32Å |
| 272 | R | 83.3 | Confident | 85.4 | Confident | 121 Ų | 121 | 59 Ų | 59 | 46% | 0.457 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 10.9 | 177 | -68.5 | -179.1 | 68.1 | -99.1 | 0.6 | 114.2 | F268 M269 Q270 T274 | F268-R272 HydrophobicContact CE2-CG 4.27Å; F268-R272 HydrophobicContact CZ-CG 4.43Å; F268-R272 PolarHBondContact O-N 3.44Å; M269-R272 PolarHBondContact O-N 3.4Å; Q270-R272 VanDerWaalsContact C-N 3.3Å; Q270-R272 PolarHBondContact O-N 2.87Å; R272-T274 PolarHBondContact O-N 3.11Å; R272-T274 VanDerWaalsContact O-N 3.17Å |
| 273 | G | 80.1 | Confident | 85.1 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 63% | 0.629 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 16.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M269 Q270 K271 P275 | M269-G273 PolarHBondContact O-N 3.24Å; Q270-G273 PolarHBondContact O-N 3.27Å; Q270-G273 VanDerWaalsContact O-N 3.12Å; K271-G273 PolarHBondContact O-N 3.32Å; G273-P275 VanDerWaalsContact O-CD 3.3Å; G273-P275 WeakPolarHBondContact O-CD 3.46Å |
| 274 | T | 83.3 | Confident | 84.7 | Confident | 75 Ų | 75 | 67 Ų | 67 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | trans | -120.5 | 57.7 | -178.8 | 45.4 | 0 | 0 | 0 | 0 | 110.7 | M269 R272 | M269-T274 WeakPolarHBondContact CB-O 3.27Å; M269-T274 CarbonylContact O-C 3.58Å; M269-T274 PolarHBondContact O-N 3.23Å; M269-T274 PolarHBondContact O-OG1 3.19Å; R272-T274 PolarHBondContact O-N 3.11Å; R272-T274 VanDerWaalsContact O-N 3.17Å | ||
| 275 | P | 78.3 | Confident | 84.3 | Confident | 47 Ų | 47 | 69.2 Ų | 69.2 | 31% | 0.305 | 36% | 0.355 | S | S | . | . | trans | -60.2 | 144.6 | -174.4 | 28 | -36.8 | 0 | 0 | 0 | 112.3 | G273 N277 | G273-P275 VanDerWaalsContact O-CD 3.3Å; G273-P275 WeakPolarHBondContact O-CD 3.46Å; P275-N277 PolarHBondContact O-N 3.11Å | ||
| 276 | V | 80.1 | Confident | 84.3 | Confident | 17 Ų | 17 | 70 Ų | 70 | 10% | 0.103 | 36% | 0.359 | C | S | . | . | trans | -76.2 | 93.9 | 174.1 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | F246 F266 M269 R278 I279 Y338 | F246-V276 HydrophobicContact CE1-CB 4.29Å; F246-V276 HydrophobicContact CE1-CG1 3.91Å; F246-V276 HydrophobicContact CZ-CB 4.17Å; F246-V276 HydrophobicContact CZ-CG1 3.81Å; F246-V276 VanDerWaalsContact CZ-O 3.24Å; F246-V276 WeakPolarHBondContact CZ-O 3.46Å; F266-V276 HydrophobicContact CD1-CB 4.22Å; F266-V276 HydrophobicContact CD1-CG2 3.83Å; F266-V276 HydrophobicContact CE1-CB 4.32Å; F266-V276 HydrophobicContact CE1-CG1 4.36Å; F266-V276 HydrophobicContact CE1-CG2 4.09Å; M269-V276 HydrophobicContact CB-CG2 4.4Å; M269-V276 HydrophobicContact CE-CG2 3.38Å; M269-V276 HydrophobicContact SD-CG2 3.51Å; M269-V276 VanDerWaalsContact SD-CG2 3.51Å; V276-R278 VanDerWaalsContact C-N 3.33Å; V276-R278 WeakPolarHBondContact CG1-O 3.48Å; V276-I279 HydrophobicContact CG1-CG1 4.34Å; V276-Y338 HydrophobicContact CB-CE1 4.37Å; V276-Y338 HydrophobicContact CG1-CD1 4.41Å; V276-Y338 HydrophobicContact CG1-CE1 3.88Å; V276-Y338 HydrophobicContact CG2-CD1 3.89Å; V276-Y338 HydrophobicContact CG2-CE1 3.99Å | ||
| 277 | N | 75.3 | Confident | 84.4 | Confident | 132 Ų | 132 | 68.6 Ų | 68.6 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -77.6 | -21.2 | 175.8 | -67.1 | -10.7 | 0 | 0 | 0 | 112.8 | P275 | P275-N277 PolarHBondContact O-N 3.11Š|
| 278 | R | 79.6 | Confident | 84.5 | Confident | 118 Ų | 118 | 66.6 Ų | 66.6 | 45% | 0.445 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -155.5 | 142.3 | 173.4 | -164.4 | 177.6 | -174.1 | 152.5 | 12.7 | 110.3 | E241 D245 V276 Y338 | E241-R278 IonicContact OE2-CZ 2.64Å; E241-R278 IonicContact OE2-NH1 2.62Å; E241-R278 IonicContact OE2-NH2 2.78Å; E241-R278 PolarHBondContact OE2-NH2 3.38Å; D245-R278 IonicContact OD2-NE 2.99Å; V276-R278 VanDerWaalsContact C-N 3.33Å; V276-R278 WeakPolarHBondContact CG1-O 3.48Å; R278-Y338 PolarHBondContact O-OH 3.2Å; R278-Y338 VanDerWaalsContact O-OH 3.1Å |
| 279 | I | 85.6 | Confident | 84.6 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | trans | -77.4 | 142.9 | 174 | -72.7 | 153.6 | 0 | 0 | 0 | 110.1 | D245 F246 L249 V276 V286 | D245-I279 HydrophobicContact CB-CB 4.31Å; D245-I279 HydrophobicContact CB-CD1 3.89Å; D245-I279 WeakPolarHBondContact O-CD1 3.37Å; F246-I279 HydrophobicContact CB-CD1 4.29Å; F246-I279 HydrophobicContact CD1-CD1 3.38Å; F246-I279 HydrophobicContact CD1-CG1 4.07Å; F246-I279 HydrophobicContact CD2-CD1 4.46Å; F246-I279 HydrophobicContact CE1-CD1 3.58Å; F246-I279 HydrophobicContact CE1-CG1 3.72Å; F246-I279 HydrophobicContact CG-CD1 3.81Å; F246-I279 HydrophobicContact CZ-CD1 4.17Å; F246-I279 HydrophobicContact CZ-CG1 4.15Å; L249-I279 HydrophobicContact CD1-CD1 3.45Å; L249-I279 VanDerWaalsContact CD1-CD1 3.45Å; L249-I279 HydrophobicContact CD1-CG1 3.84Å; L249-I279 HydrophobicContact CD1-CG2 4.11Å; L249-I279 HydrophobicContact CG-CD1 3.88Å; V276-I279 HydrophobicContact CG1-CG1 4.34Å; I279-V286 HydrophobicContact CG2-CB 4.19Å | ||
| 280 | P | 85.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 8% | 0.078 | 34% | 0.34 | C | S | . | . | trans | -64.7 | 137.1 | 174.3 | -22.5 | 35 | 0 | 0 | 0 | 112.5 | L287 Q334 Y338 | P280-L287 HydrophobicContact CB-CB 4.12Å; P280-L287 HydrophobicContact CB-CD2 3.99Å; P280-L287 HydrophobicContact CG-CD2 4.39Å; P280-L287 VanDerWaalsContact O-CB 3.24Å; P280-L287 WeakPolarHBondContact O-CB 3.25Å; P280-L287 PolarHBondContact O-N 3.27Å; P280-Q334 HydrophobicContact CB-CB 4.31Å; P280-Q334 HydrophobicContact CB-CG 3.72Å; P280-Q334 HydrophobicContact CG-CB 4.14Å; P280-Q334 HydrophobicContact CG-CG 4Å; P280-Y338 HydrophobicContact CG-CD2 3.79Å; P280-Y338 HydrophobicContact CG-CE2 3.39Å | ||
| 281 | I | 86 | Confident | 85 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.8 | 172.1 | -61 | 174.1 | 0 | 0 | 0 | 108.1 | Q285 | I281-Q285 CarbonylContact C-O 3.35Å; I281-Q285 VanDerWaalsContact CA-O 3.32Å; I281-Q285 WeakPolarHBondContact CA-O 3.31Å; I281-Q285 WeakPolarHBondContact CG2-O 3.42Å |
| 282 | M | 85.4 | Confident | 85.3 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.069 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.9 | 169.8 | -165.7 | 163.1 | 79 | 0 | 0 | 109.6 | K284 Q285 L320 A327 T330 L331 | M282-K284 VanDerWaalsContact C-N 3.26Å; M282-K284 PolarHBondContact O-N 3.17Å; M282-Q285 PolarHBondContact N-O 2.93Å; M282-Q285 PolarHBondContact O-N 2.71Å; M282-Q285 VanDerWaalsContact O-O 3.05Å; M282-L320 HydrophobicContact CE-CD1 3.33Å; M282-A327 HydrophobicContact CE-CB 4.04Å; M282-A327 HydrophobicContact SD-CB 4.46Å; M282-T330 HydrophobicContact CG-CG2 4.3Å; M282-T330 HydrophobicContact SD-CG2 3.55Å; M282-T330 VanDerWaalsContact SD-CG2 3.55Å; M282-L331 HydrophobicContact CE-CD1 4.15Å; M282-L331 HydrophobicContact CE-CD2 3.63Å; M282-L331 HydrophobicContact CE-CG 3.69Å; M282-L331 HydrophobicContact SD-CD2 4.42Å; M282-L331 HydrophobicContact SD-CG 4.35Å |
| 283 | A | 83.4 | Confident | 85.8 | Confident | 53 Ų | 53 | 50 Ų | 50 | 44% | 0.438 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 39.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q285 I324 | A283-Q285 PolarHBondContact O-N 3.46Å; A283-I324 HydrophobicContact CB-CD1 3.62Å |
| 284 | K | 82.2 | Confident | 86.4 | Confident | 203 Ų | 203 | 51.4 Ų | 51.4 | 88% | 0.883 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 9.4 | -174.9 | -51 | 179.7 | 178.6 | -180 | 0 | 115.4 | M282 | M282-K284 VanDerWaalsContact C-N 3.26Å; M282-K284 PolarHBondContact O-N 3.17Å |
| 285 | Q | 83.9 | Confident | 86.9 | Confident | 102 Ų | 102 | 49.1 Ų | 49.1 | 48% | 0.477 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 148.5 | 174.1 | -65.5 | 179.7 | -19.9 | 0 | 0 | 110.4 | I281 M282 A283 | I281-Q285 CarbonylContact C-O 3.35Å; I281-Q285 VanDerWaalsContact CA-O 3.32Å; I281-Q285 WeakPolarHBondContact CA-O 3.31Å; I281-Q285 WeakPolarHBondContact CG2-O 3.42Å; M282-Q285 PolarHBondContact N-O 2.93Å; M282-Q285 PolarHBondContact O-N 2.71Å; M282-Q285 VanDerWaalsContact O-O 3.05Å; A283-Q285 PolarHBondContact O-N 3.46Å |
| 286 | V | 88.8 | Confident | 87.6 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 137.5 | 170.9 | -65.4 | 0 | 0 | 0 | 0 | 109.1 | D245 K248 L249 L252 I279 D288 | D245-V286 HydrophobicContact CB-CG1 4.22Å; D245-V286 WeakPolarHBondContact OD1-CG1 3.33Å; K248-V286 HydrophobicContact CB-CG2 4.4Å; K248-V286 HydrophobicContact CD-CG1 4.32Å; K248-V286 HydrophobicContact CD-CG2 3.78Å; K248-V286 HydrophobicContact CG-CG2 3.88Å; L249-V286 HydrophobicContact CD2-CB 4.39Å; L249-V286 HydrophobicContact CD2-CG2 4.01Å; L252-V286 HydrophobicContact CD1-CG2 4.27Å; I279-V286 HydrophobicContact CG2-CB 4.19Å; V286-D288 PolarHBondContact O-N 3.26Å |
| 287 | L | 89.9 | Confident | 88.2 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | trans | -77.2 | 114 | -179 | -178.8 | 60.8 | 0 | 0 | 0 | 110.1 | P280 L289 L292 L318 L331 Q334 | P280-L287 HydrophobicContact CB-CB 4.12Å; P280-L287 HydrophobicContact CB-CD2 3.99Å; P280-L287 HydrophobicContact CG-CD2 4.39Å; P280-L287 VanDerWaalsContact O-CB 3.24Å; P280-L287 WeakPolarHBondContact O-CB 3.25Å; P280-L287 PolarHBondContact O-N 3.27Å; L287-L289 PolarHBondContact O-N 3.11Å; L287-L292 HydrophobicContact CD1-CD2 4.24Å; L287-L292 HydrophobicContact CD2-CD2 3.85Å; L287-L292 HydrophobicContact CG-CD2 4.12Å; L287-L318 HydrophobicContact CD1-CD1 4.23Å; L287-L331 HydrophobicContact CD1-CD2 3.58Å; L287-L331 HydrophobicContact CD2-CD2 4.38Å; L287-Q334 HydrophobicContact CD2-CB 3.68Å; L287-Q334 HydrophobicContact CD2-CG 3.93Å | ||
| 288 | D | 91.9 | Very high | 89.1 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | trans | -64 | 100.3 | 175.6 | -170.4 | -28.8 | 0 | 0 | 0 | 110.9 | L252 R258 V286 Y290 M291 L292 | L252-D288 HydrophobicContact CD1-CB 3.99Å; R258-D288 IonicContact CZ-OD1 2.62Å; R258-D288 IonicContact CZ-OD2 3.93Å; R258-D288 IonicContact NE-OD2 2.82Å; R258-D288 IonicContact NH1-OD2 3.09Å; R258-D288 PolarHBondContact NH1-OD2 2.85Å; R258-D288 IonicContact NH2-OD2 3.93Å; R258-D288 PolarHBondContact NH2-OD2 3.3Å; V286-D288 PolarHBondContact O-N 3.26Å; D288-Y290 VanDerWaalsContact C-N 3.32Å; D288-Y290 PolarHBondContact O-N 3.3Å; D288-Y290 WeakPolarHBondContact OD1-CA 3.24Å; D288-Y290 WeakPolarHBondContact OD1-CB 3.45Å; D288-Y290 PolarHBondContact OD1-N 3.41Å; D288-M291 HydrophobicContact CB-CB 4.13Å; D288-M291 PolarHBondContact OD1-N 3.14Å; D288-L292 WeakPolarHBondContact O-CB 3.23Å; D288-L292 PolarHBondContact O-N 2.91Å | ||
| 289 | L | 91.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.8 | -30.9 | -180 | -60.6 | -178.7 | 0 | 0 | 0 | 112.4 | L249 L262 L265 F266 L287 Y293 L339 | L249-L289 HydrophobicContact CD1-CD1 4.14Å; L249-L289 HydrophobicContact CD1-CG 4.24Å; L262-L289 HydrophobicContact CD2-CB 4.36Å; L265-L289 HydrophobicContact CD2-CB 4.26Å; L265-L289 HydrophobicContact CD2-CD1 4.33Å; F266-L289 HydrophobicContact CE1-CD1 4.15Å; F266-L289 HydrophobicContact CZ-CD1 4.48Å; L287-L289 PolarHBondContact O-N 3.11Å; L289-Y293 VanDerWaalsContact O-CB 3.25Å; L289-Y293 WeakPolarHBondContact O-CB 3.29Å; L289-Y293 PolarHBondContact O-N 3.04Å; L289-L339 HydrophobicContact CB-CD2 4.39Å |
| 290 | Y | 91.7 | Very high | 89.9 | Confident | 24 Ų | 24 | 46 Ų | 46 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.5 | -51.1 | 178.9 | 170.5 | -88.8 | 0 | 0 | 0 | 110.8 | D255 R258 F261 D288 L292 Y293 K294 | D255-Y290 PolarHBondContact OD2-OH 2.91Å; R258-Y290 HydrophobicContact CB-CD1 4.37Å; R258-Y290 HydrophobicContact CB-CD2 4.13Å; R258-Y290 HydrophobicContact CB-CE2 4.34Å; R258-Y290 HydrophobicContact CB-CG 4.13Å; R258-Y290 HydrophobicContact CG-CD1 4.44Å; R258-Y290 HydrophobicContact CG-CD2 4.36Å; R258-Y290 HydrophobicContact CG-CG 4.02Å; R258-Y290 VanDerWaalsContact NE-CD1 3.29Å; R258-Y290 VanDerWaalsContact NH2-CD1 3.33Å; F261-Y290 HydrophobicContact CB-CD2 3.76Å; F261-Y290 HydrophobicContact CB-CE2 4.15Å; F261-Y290 AromaticContact CD1-CD2 3.65Å; F261-Y290 HydrophobicContact CD1-CD2 3.65Å; F261-Y290 HydrophobicContact CD1-CG 4.25Å; F261-Y290 HydrophobicContact CD2-CD2 4.49Å; F261-Y290 HydrophobicContact CE1-CD2 4.37Å; F261-Y290 AromaticContact CG-CD2 3.71Å; F261-Y290 HydrophobicContact CG-CD2 3.71Å; F261-Y290 HydrophobicContact CG-CE2 4.41Å; D288-Y290 VanDerWaalsContact C-N 3.32Å; D288-Y290 PolarHBondContact O-N 3.3Å; D288-Y290 WeakPolarHBondContact OD1-CA 3.24Å; D288-Y290 WeakPolarHBondContact OD1-CB 3.45Å; D288-Y290 PolarHBondContact OD1-N 3.41Å; Y290-L292 VanDerWaalsContact C-N 3.34Å; Y290-L292 PolarHBondContact O-N 2.95Å; Y290-Y293 PolarHBondContact O-N 3.2Å; Y290-K294 HydrophobicContact CE1-CD 3.94Å; Y290-K294 VanDerWaalsContact O-CB 3.28Å; Y290-K294 WeakPolarHBondContact O-CB 3.04Å; Y290-K294 PolarHBondContact O-N 3.34Å |
| 291 | M | 91.7 | Very high | 90.3 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 20% | 0.202 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.5 | -36.3 | -179.5 | -165.4 | 62.8 | 74 | 0 | 0 | 111 | D288 K294 L295 L318 | D288-M291 HydrophobicContact CB-CB 4.13Å; D288-M291 PolarHBondContact OD1-N 3.14Å; M291-K294 PolarHBondContact O-N 2.81Å; M291-K294 HydrophobicContact SD-CD 4.03Å; M291-L295 HydrophobicContact CG-CD1 3.86Å; M291-L295 HydrophobicContact CG-CG 4.24Å; M291-L295 WeakPolarHBondContact O-CB 3.25Å; M291-L295 VanDerWaalsContact O-CG 3.24Å; M291-L295 WeakPolarHBondContact O-CG 3.26Å; M291-L295 PolarHBondContact O-N 3Å; M291-L295 HydrophobicContact SD-CG 4.37Å; M291-L318 HydrophobicContact CB-CD2 3.87Å; M291-L318 HydrophobicContact CG-CD2 4.01Å |
| 292 | L | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 173.8 | 173.2 | 59.6 | 0 | 0 | 0 | 111.6 | L287 D288 Y290 V296 I314 L318 L331 Y335 L339 | L287-L292 HydrophobicContact CD1-CD2 4.24Å; L287-L292 HydrophobicContact CD2-CD2 3.85Å; L287-L292 HydrophobicContact CG-CD2 4.12Å; D288-L292 WeakPolarHBondContact O-CB 3.23Å; D288-L292 PolarHBondContact O-N 2.91Å; Y290-L292 VanDerWaalsContact C-N 3.34Å; Y290-L292 PolarHBondContact O-N 2.95Å; L292-V296 HydrophobicContact CD1-CG2 3.86Å; L292-V296 WeakPolarHBondContact O-CB 3.5Å; L292-V296 WeakPolarHBondContact O-CG2 3.47Å; L292-V296 PolarHBondContact O-N 3.32Å; L292-V296 VanDerWaalsContact O-N 3.09Å; L292-I314 HydrophobicContact CD1-CG2 3.82Å; L292-L318 HydrophobicContact CB-CD1 4.34Å; L292-L318 HydrophobicContact CB-CD2 4.07Å; L292-L318 HydrophobicContact CD1-CD1 4.11Å; L292-L331 HydrophobicContact CD1-CD2 4.35Å; L292-L331 HydrophobicContact CD2-CD2 4.43Å; L292-Y335 HydrophobicContact CD1-CD2 3.87Å; L292-Y335 HydrophobicContact CD1-CE2 4.46Å; L292-Y335 HydrophobicContact CD2-CD2 4.04Å; L292-Y335 HydrophobicContact CG-CD2 3.68Å; L292-Y335 HydrophobicContact CG-CE2 4.18Å; L292-L339 HydrophobicContact CB-CD1 4.15Å; L292-L339 HydrophobicContact CD2-CD1 3.74Å; L292-L339 HydrophobicContact CG-CD1 3.72Å |
| 293 | Y | 93.8 | Very high | 91 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | 174.2 | 177 | -101.6 | 0 | 0 | 0 | 111.5 | F261 L289 Y290 L295 V296 T297 L339 Y342 E343 K347 | F261-Y293 HydrophobicContact CD2-CD1 4.11Å; F261-Y293 HydrophobicContact CD2-CE1 4.39Å; F261-Y293 AromaticContact CE2-CD1 3.26Å; F261-Y293 HydrophobicContact CE2-CD1 3.26Å; F261-Y293 HydrophobicContact CE2-CD2 4.24Å; F261-Y293 AromaticContact CE2-CE1 3.72Å; F261-Y293 HydrophobicContact CE2-CE1 3.72Å; F261-Y293 AromaticContact CE2-CG 3.56Å; F261-Y293 HydrophobicContact CE2-CG 3.56Å; F261-Y293 AromaticContact CZ-CD1 3.75Å; F261-Y293 HydrophobicContact CZ-CD1 3.75Å; F261-Y293 HydrophobicContact CZ-CD2 4.33Å; F261-Y293 AromaticContact CZ-CG 3.6Å; F261-Y293 HydrophobicContact CZ-CG 3.6Å; L289-Y293 VanDerWaalsContact O-CB 3.25Å; L289-Y293 WeakPolarHBondContact O-CB 3.29Å; L289-Y293 PolarHBondContact O-N 3.04Å; Y290-Y293 PolarHBondContact O-N 3.2Å; Y293-L295 PolarHBondContact O-N 2.99Å; Y293-V296 PolarHBondContact O-N 3.42Å; Y293-T297 WeakPolarHBondContact CE2-OG1 3.21Å; Y293-T297 WeakPolarHBondContact O-CB 3.37Å; Y293-T297 PolarHBondContact O-N 3.14Å; Y293-T297 PolarHBondContact O-OG1 3.02Å; Y293-L339 HydrophobicContact CD2-CD2 4.49Å; Y293-Y342 HydrophobicContact CD2-CD1 4.35Å; Y293-Y342 HydrophobicContact CE1-CE1 4.37Å; Y293-Y342 AromaticContact CE2-CD1 3.84Å; Y293-Y342 HydrophobicContact CE2-CD1 3.84Å; Y293-Y342 HydrophobicContact CE2-CE1 4.17Å; Y293-Y342 AromaticContact CZ-CE1 3.99Å; Y293-E343 HydrophobicContact CE2-CB 4.13Å; Y293-E343 HydrophobicContact CE2-CG 4.5Å; Y293-K347 WeakPolarHBondContact OH-CE 3.35Å |
| 294 | K | 92.6 | Very high | 91.5 | Very high | 90 Ų | 90 | 41.8 Ų | 41.8 | 39% | 0.391 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.4 | -53.2 | -179.4 | -177.2 | 176.6 | 175.8 | -178.4 | 0 | 111.5 | Y290 M291 T297 E298 | Y290-K294 HydrophobicContact CE1-CD 3.94Å; Y290-K294 VanDerWaalsContact O-CB 3.28Å; Y290-K294 WeakPolarHBondContact O-CB 3.04Å; Y290-K294 PolarHBondContact O-N 3.34Å; M291-K294 PolarHBondContact O-N 2.81Å; M291-K294 HydrophobicContact SD-CD 4.03Å; K294-T297 PolarHBondContact O-N 3.11Å; K294-E298 VanDerWaalsContact O-CB 3.25Å; K294-E298 WeakPolarHBondContact O-CB 3.28Å; K294-E298 PolarHBondContact O-N 3.4Å |
| 295 | L | 94.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | -178.3 | -69.7 | 168.8 | 0 | 0 | 0 | 112.9 | M291 Y293 T297 K299 I314 G317 L318 | M291-L295 HydrophobicContact CG-CD1 3.86Å; M291-L295 HydrophobicContact CG-CG 4.24Å; M291-L295 WeakPolarHBondContact O-CB 3.25Å; M291-L295 VanDerWaalsContact O-CG 3.24Å; M291-L295 WeakPolarHBondContact O-CG 3.26Å; M291-L295 PolarHBondContact O-N 3Å; M291-L295 HydrophobicContact SD-CG 4.37Å; Y293-L295 PolarHBondContact O-N 2.99Å; L295-T297 VanDerWaalsContact C-N 3.35Å; L295-K299 VanDerWaalsContact O-CG 3.23Å; L295-K299 WeakPolarHBondContact O-CG 3.24Å; L295-K299 PolarHBondContact O-N 3.22Å; L295-I314 HydrophobicContact CB-CD1 3.9Å; L295-G317 VanDerWaalsContact CD1-C 3.49Å; L295-L318 HydrophobicContact CD1-CD2 4.17Å; L295-L318 HydrophobicContact CD1-CG 4.12Å |
| 296 | V | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 178.8 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L292 Y293 K299 G300 G301 L302 V305 I314 Y335 | L292-V296 HydrophobicContact CD1-CG2 3.86Å; L292-V296 WeakPolarHBondContact O-CB 3.5Å; L292-V296 WeakPolarHBondContact O-CG2 3.47Å; L292-V296 PolarHBondContact O-N 3.32Å; L292-V296 VanDerWaalsContact O-N 3.09Å; Y293-V296 PolarHBondContact O-N 3.42Å; V296-K299 PolarHBondContact O-N 3.01Å; V296-G300 PolarHBondContact O-N 3.25Å; V296-G301 WeakPolarHBondContact O-CA 3.32Å; V296-G301 PolarHBondContact O-N 3.4Å; V296-L302 HydrophobicContact CG1-CB 4.46Å; V296-V305 HydrophobicContact CB-CG2 4.31Å; V296-V305 HydrophobicContact CG1-CG2 3.94Å; V296-V305 HydrophobicContact CG2-CG2 4.31Å; V296-I314 HydrophobicContact CG2-CD1 4.08Å; V296-I314 HydrophobicContact CG2-CG1 4.34Å; V296-I314 HydrophobicContact CG2-CG2 4.2Å; V296-Y335 HydrophobicContact CB-CD2 4.19Å; V296-Y335 HydrophobicContact CB-CE2 3.47Å; V296-Y335 VanDerWaalsContact CB-CE2 3.47Å; V296-Y335 HydrophobicContact CG1-CD2 4.25Å; V296-Y335 HydrophobicContact CG1-CE1 4.16Å; V296-Y335 HydrophobicContact CG1-CE2 3.59Å; V296-Y335 HydrophobicContact CG2-CD2 3.87Å; V296-Y335 HydrophobicContact CG2-CE2 3.66Å |
| 297 | T | 92.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 30.4 Ų | 30.4 | 9% | 0.092 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | 179 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | Y293 K294 L295 K299 G300 K347 L349 | Y293-T297 WeakPolarHBondContact CE2-OG1 3.21Å; Y293-T297 WeakPolarHBondContact O-CB 3.37Å; Y293-T297 PolarHBondContact O-N 3.14Å; Y293-T297 PolarHBondContact O-OG1 3.02Å; K294-T297 PolarHBondContact O-N 3.11Å; L295-T297 VanDerWaalsContact C-N 3.35Å; T297-K299 PolarHBondContact O-N 3.25Å; T297-G300 PolarHBondContact O-N 2.82Å; T297-G300 VanDerWaalsContact O-N 3.11Å; T297-K347 HydrophobicContact CG2-CD 3.47Å; T297-K347 VanDerWaalsContact CG2-CD 3.47Å; T297-L349 HydrophobicContact CG2-CD1 4.17Å |
| 298 | E | 93.7 | Very high | 92.9 | Very high | 140 Ų | 140 | 36.1 Ų | 36.1 | 65% | 0.654 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -61 | -30.3 | 174.4 | -177.4 | 176.2 | 176.3 | 0 | 0 | 112.1 | K294 G300 | K294-E298 VanDerWaalsContact O-CB 3.25Å; K294-E298 WeakPolarHBondContact O-CB 3.28Å; K294-E298 PolarHBondContact O-N 3.4Å; E298-G300 VanDerWaalsContact C-N 3.32Å |
| 299 | K | 92.4 | Very high | 92.9 | Very high | 63 Ų | 63 | 40 Ų | 40 | 27% | 0.274 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 4.4 | 176.8 | -61.3 | -66.6 | 174.8 | 165.9 | 0 | 114.6 | L295 V296 T297 E304 V305 I310 E313 I314 | L295-K299 VanDerWaalsContact O-CG 3.23Å; L295-K299 WeakPolarHBondContact O-CG 3.24Å; L295-K299 PolarHBondContact O-N 3.22Å; V296-K299 PolarHBondContact O-N 3.01Å; T297-K299 PolarHBondContact O-N 3.25Å; K299-E304 WeakPolarHBondContact O-CG 3.32Å; K299-V305 HydrophobicContact CB-CG2 3.86Å; K299-I310 HydrophobicContact CB-CD1 3.68Å; K299-I310 HydrophobicContact CD-CD1 4.04Å; K299-I310 HydrophobicContact CG-CD1 3.91Å; K299-E313 VanDerWaalsContact CE-OE2 3.25Å; K299-E313 WeakPolarHBondContact CE-OE2 3.45Å; K299-E313 IonicContact NZ-OE1 2.78Å; K299-E313 PolarHBondContact NZ-OE1 2.87Å; K299-E313 IonicContact NZ-OE2 3.3Å; K299-E313 PolarHBondContact NZ-OE2 3.01Å; K299-I314 HydrophobicContact CG-CD1 4.22Å |
| 300 | G | 89.8 | Confident | 93 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 34% | 0.34 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | 14.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V296 T297 E298 | V296-G300 PolarHBondContact O-N 3.25Å; T297-G300 PolarHBondContact O-N 2.82Å; T297-G300 VanDerWaalsContact O-N 3.11Å; E298-G300 VanDerWaalsContact C-N 3.32Å |
| 301 | G | 92.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | 95.8 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V296 V303 E304 V305 E343 | V296-G301 WeakPolarHBondContact O-CA 3.32Å; V296-G301 PolarHBondContact O-N 3.4Å; G301-V303 VanDerWaalsContact C-N 3.33Å; G301-V303 PolarHBondContact O-N 3.1Å; G301-E304 PolarHBondContact O-N 3.44Å; G301-V305 WeakPolarHBondContact O-CG2 3.46Å; G301-V305 PolarHBondContact O-N 2.79Å; G301-V305 VanDerWaalsContact O-N 3.11Å; G301-E343 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 302 | L | 92.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.6 | -43.3 | -170.9 | 178.7 | 62.2 | 0 | 0 | 0 | 113.1 | V296 V305 I306 W311 R332 Y335 M336 Y340 E343 L355 | V296-L302 HydrophobicContact CG1-CB 4.46Å; L302-V305 PolarHBondContact O-N 2.93Å; L302-I306 HydrophobicContact CD1-CD1 4.13Å; L302-I306 HydrophobicContact CG-CD1 4Å; L302-I306 VanDerWaalsContact O-CG1 3.3Å; L302-I306 WeakPolarHBondContact O-CG1 3.49Å; L302-I306 PolarHBondContact O-N 3.21Å; L302-I306 VanDerWaalsContact O-N 3.15Å; L302-W311 HydrophobicContact CD1-CH2 3.61Å; L302-W311 HydrophobicContact CD1-CZ2 3.72Å; L302-R332 HydrophobicContact CD1-CG 4.32Å; L302-Y335 HydrophobicContact CB-CD1 4.05Å; L302-Y335 HydrophobicContact CB-CE1 3.92Å; L302-Y335 HydrophobicContact CD1-CD1 3.75Å; L302-Y335 HydrophobicContact CD1-CE1 4.41Å; L302-Y335 HydrophobicContact CD1-CG 4.04Å; L302-Y335 HydrophobicContact CD2-CD1 3.95Å; L302-Y335 HydrophobicContact CG-CD1 4.12Å; L302-M336 HydrophobicContact CD2-CB 4.36Å; L302-Y340 HydrophobicContact CB-CD2 4.04Å; L302-Y340 HydrophobicContact CD2-CD2 3.68Å; L302-Y340 HydrophobicContact CD2-CE2 4.37Å; L302-Y340 HydrophobicContact CD2-CG 3.86Å; L302-Y340 HydrophobicContact CG-CD2 4.5Å; L302-E343 PolarHBondContact N-OE1 2.96Å; L302-E343 VanDerWaalsContact N-OE1 3.14Å; L302-E343 PolarHBondContact N-OE2 2.94Å; L302-L355 HydrophobicContact CD2-CD1 3.63Å; L302-L355 HydrophobicContact CD2-CD2 3.85Å; L302-L355 HydrophobicContact CD2-CG 4.42Å; L302-L355 HydrophobicContact CG-CD1 3.9Å |
| 303 | V | 93 | Very high | 93.1 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.9 | -40.7 | -176.3 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | G301 I306 N307 S350 E354 L355 A358 | G301-V303 VanDerWaalsContact C-N 3.33Å; G301-V303 PolarHBondContact O-N 3.1Å; V303-I306 WeakPolarHBondContact O-CB 3.35Å; V303-I306 PolarHBondContact O-N 2.85Å; V303-I306 VanDerWaalsContact O-N 3.16Å; V303-N307 PolarHBondContact O-N 3.28Å; V303-S350 VanDerWaalsContact CB-OG 3.29Å; V303-S350 WeakPolarHBondContact CB-OG 3.48Å; V303-S350 WeakPolarHBondContact CG2-OG 3.35Å; V303-E354 HydrophobicContact CG1-CB 4.32Å; V303-L355 HydrophobicContact CG2-CB 3.74Å; V303-L355 HydrophobicContact CG2-CD1 3.98Å; V303-L355 HydrophobicContact CG2-CG 4.47Å; V303-A358 HydrophobicContact CG1-CB 3.78Å |
| 304 | E | 94.1 | Very high | 93.1 | Very high | 62 Ų | 62 | 53 Ų | 53 | 29% | 0.29 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.1 | -34.7 | -178.7 | -168.1 | 63.6 | 172.3 | 0 | 0 | 112.1 | K299 G301 I306 N307 K308 | K299-E304 WeakPolarHBondContact O-CG 3.32Å; G301-E304 PolarHBondContact O-N 3.44Å; E304-I306 VanDerWaalsContact C-N 3.32Å; E304-I306 PolarHBondContact O-N 3.45Å; E304-N307 PolarHBondContact O-N 2.86Å; E304-K308 HydrophobicContact CG-CD 4.05Å; E304-K308 WeakPolarHBondContact O-CB 3.39Å; E304-K308 PolarHBondContact O-N 3.21Å; E304-K308 WeakPolarHBondContact OE1-CE 3.4Å; E304-K308 IonicContact OE1-NZ 3.41Å; E304-K308 PolarHBondContact OE1-NZ 3.36Å |
| 305 | V | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -36.1 | 169.9 | 170.9 | 0 | 0 | 0 | 0 | 112.2 | V296 K299 G301 L302 K309 I310 W311 I314 | V296-V305 HydrophobicContact CB-CG2 4.31Å; V296-V305 HydrophobicContact CG1-CG2 3.94Å; V296-V305 HydrophobicContact CG2-CG2 4.31Å; K299-V305 HydrophobicContact CB-CG2 3.86Å; G301-V305 WeakPolarHBondContact O-CG2 3.46Å; G301-V305 PolarHBondContact O-N 2.79Å; G301-V305 VanDerWaalsContact O-N 3.11Å; L302-V305 PolarHBondContact O-N 2.93Å; V305-K309 PolarHBondContact O-N 3.12Å; V305-I310 HydrophobicContact CB-CG1 4.21Å; V305-I310 HydrophobicContact CG1-CG1 4.13Å; V305-I310 HydrophobicContact CG2-CD1 4.06Å; V305-I310 HydrophobicContact CG2-CG1 4.17Å; V305-I310 PolarHBondContact O-N 3.15Å; V305-W311 HydrophobicContact CB-CZ2 4.47Å; V305-W311 HydrophobicContact CG1-CD2 3.65Å; V305-W311 HydrophobicContact CG1-CE3 3.93Å; V305-W311 HydrophobicContact CG1-CG 4.16Å; V305-W311 HydrophobicContact CG1-CH2 3.93Å; V305-W311 HydrophobicContact CG1-CZ2 3.66Å; V305-W311 HydrophobicContact CG1-CZ3 4.06Å; V305-I314 HydrophobicContact CG1-CG1 4.02Å; V305-I314 HydrophobicContact CG2-CD1 4.33Å |
| 306 | I | 92.4 | Very high | 93 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.7 | -45.3 | 175.4 | -66 | 164.5 | 0 | 0 | 0 | 111.4 | L302 V303 E304 K309 W311 R332 L355 A358 I359 N362 | L302-I306 HydrophobicContact CD1-CD1 4.13Å; L302-I306 HydrophobicContact CG-CD1 4Å; L302-I306 VanDerWaalsContact O-CG1 3.3Å; L302-I306 WeakPolarHBondContact O-CG1 3.49Å; L302-I306 PolarHBondContact O-N 3.21Å; L302-I306 VanDerWaalsContact O-N 3.15Å; V303-I306 WeakPolarHBondContact O-CB 3.35Å; V303-I306 PolarHBondContact O-N 2.85Å; V303-I306 VanDerWaalsContact O-N 3.16Å; E304-I306 VanDerWaalsContact C-N 3.32Å; E304-I306 PolarHBondContact O-N 3.45Å; I306-K309 PolarHBondContact O-N 2.99Å; I306-W311 HydrophobicContact CG1-CZ2 3.87Å; I306-R332 HydrophobicContact CD1-CG 4.01Å; I306-R332 HydrophobicContact CG1-CG 4.35Å; I306-L355 HydrophobicContact CD1-CD1 3.51Å; I306-A358 HydrophobicContact CB-CB 4.35Å; I306-A358 HydrophobicContact CG2-CB 3.93Å; I306-I359 HydrophobicContact CD1-CG1 4.26Å; I306-N362 HydrophobicContact CG2-CB 4.22Å; I306-N362 PolarHBondContact O-ND2 2.89Å |
| 307 | N | 93 | Very high | 92.8 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 43% | 0.428 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -51.2 | 179.8 | -76 | -23.1 | 0 | 0 | 0 | 111.8 | V303 E304 K309 A358 | V303-N307 PolarHBondContact O-N 3.28Å; E304-N307 PolarHBondContact O-N 2.86Å; N307-K309 PolarHBondContact O-N 2.94Å; N307-A358 WeakPolarHBondContact OD1-CB 3.48Å |
| 308 | K | 93.8 | Very high | 92.7 | Very high | 125 Ų | 125 | 56.9 Ų | 56.9 | 54% | 0.543 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -5.8 | 178.1 | -70.8 | 175.3 | 168.2 | 144.7 | 0 | 113.6 | E304 I310 | E304-K308 HydrophobicContact CG-CD 4.05Å; E304-K308 WeakPolarHBondContact O-CB 3.39Å; E304-K308 PolarHBondContact O-N 3.21Å; E304-K308 WeakPolarHBondContact OE1-CE 3.4Å; E304-K308 IonicContact OE1-NZ 3.41Å; E304-K308 PolarHBondContact OE1-NZ 3.36Å; K308-I310 HydrophobicContact CB-CD1 4.08Å; K308-I310 HydrophobicContact CB-CG1 4Å; K308-I310 HydrophobicContact CB-CG2 3.97Å; K308-I310 HydrophobicContact CD-CD1 4.34Å; K308-I310 PolarHBondContact O-N 3.44Å; K308-I310 VanDerWaalsContact O-N 3.16Å |
| 309 | K | 92.5 | Very high | 92.4 | Very high | 105 Ų | 105 | 57 Ų | 57 | 46% | 0.457 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 24.6 | -179.7 | -58.9 | 174.6 | -178.5 | 172.4 | 0 | 113.7 | V305 I306 N307 W311 E365 | V305-K309 PolarHBondContact O-N 3.12Å; I306-K309 PolarHBondContact O-N 2.99Å; N307-K309 PolarHBondContact O-N 2.94Å; K309-W311 VanDerWaalsContact C-N 3.26Å; K309-W311 PolarHBondContact O-N 3.42Å; K309-W311 VanDerWaalsContact O-N 3.16Å; K309-E365 IonicContact NZ-OE2 3.8Å; K309-E365 PolarHBondContact NZ-OE2 3.23Å |
| 310 | I | 93.7 | Very high | 92.2 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 19% | 0.185 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 13.6 | -171.3 | 49.2 | 178 | 0 | 0 | 0 | 115.2 | K299 V305 K308 R312 E313 I314 | K299-I310 HydrophobicContact CB-CD1 3.68Å; K299-I310 HydrophobicContact CD-CD1 4.04Å; K299-I310 HydrophobicContact CG-CD1 3.91Å; V305-I310 HydrophobicContact CB-CG1 4.21Å; V305-I310 HydrophobicContact CG1-CG1 4.13Å; V305-I310 HydrophobicContact CG2-CD1 4.06Å; V305-I310 HydrophobicContact CG2-CG1 4.17Å; V305-I310 PolarHBondContact O-N 3.15Å; K308-I310 HydrophobicContact CB-CD1 4.08Å; K308-I310 HydrophobicContact CB-CG1 4Å; K308-I310 HydrophobicContact CB-CG2 3.97Å; K308-I310 HydrophobicContact CD-CD1 4.34Å; K308-I310 PolarHBondContact O-N 3.44Å; K308-I310 VanDerWaalsContact O-N 3.16Å; I310-R312 PolarHBondContact O-N 2.62Å; I310-E313 WeakPolarHBondContact O-CA 3Å; I310-E313 WeakPolarHBondContact O-CB 3.35Å; I310-E313 PolarHBondContact O-N 2.78Å; I310-I314 PolarHBondContact O-N 3.16Å |
| 311 | W | 93.4 | Very high | 92.1 | Very high | 16 Ų | 16 | 56.3 Ų | 56.3 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.2 | -27.2 | 175.5 | -70.8 | 106 | 0 | 0 | 0 | 114.9 | L302 V305 I306 K309 T315 A328 L331 R332 | L302-W311 HydrophobicContact CD1-CH2 3.61Å; L302-W311 HydrophobicContact CD1-CZ2 3.72Å; V305-W311 HydrophobicContact CB-CZ2 4.47Å; V305-W311 HydrophobicContact CG1-CD2 3.65Å; V305-W311 HydrophobicContact CG1-CE3 3.93Å; V305-W311 HydrophobicContact CG1-CG 4.16Å; V305-W311 HydrophobicContact CG1-CH2 3.93Å; V305-W311 HydrophobicContact CG1-CZ2 3.66Å; V305-W311 HydrophobicContact CG1-CZ3 4.06Å; I306-W311 HydrophobicContact CG1-CZ2 3.87Å; K309-W311 VanDerWaalsContact C-N 3.26Å; K309-W311 PolarHBondContact O-N 3.42Å; K309-W311 VanDerWaalsContact O-N 3.16Å; W311-T315 WeakPolarHBondContact O-CB 3.5Å; W311-T315 PolarHBondContact O-N 3.16Å; W311-T315 PolarHBondContact O-OG1 3.26Å; W311-A328 HydrophobicContact CB-CB 3.45Å; W311-A328 VanDerWaalsContact CB-CB 3.45Å; W311-A328 HydrophobicContact CD2-CB 4.48Å; W311-A328 HydrophobicContact CG-CB 3.69Å; W311-L331 HydrophobicContact CE3-CB 3.77Å; W311-L331 HydrophobicContact CE3-CD1 4.24Å; W311-L331 HydrophobicContact CZ3-CB 3.62Å; W311-R332 HydrophobicContact CH2-CB 3.84Å; W311-R332 HydrophobicContact CH2-CG 4.28Å; W311-R332 HydrophobicContact CZ2-CB 3.55Å; W311-R332 HydrophobicContact CZ2-CG 3.74Å |
| 312 | R | 92.1 | Very high | 91.8 | Very high | 212 Ų | 212 | 61.3 Ų | 61.3 | 80% | 0.8 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.3 | -38.1 | 173.6 | -59 | -175 | -166.2 | -116.4 | 6.7 | 112.2 | I310 T315 K316 | I310-R312 PolarHBondContact O-N 2.62Å; R312-T315 PolarHBondContact O-N 2.64Å; R312-K316 PolarHBondContact O-N 3.46Å; R312-K316 VanDerWaalsContact O-N 3.07Å |
| 313 | E | 93.7 | Very high | 91.5 | Very high | 94 Ų | 94 | 66 Ų | 66 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.3 | -44.6 | 176.8 | -166.6 | -176.4 | -171.1 | 0 | 0 | 110.5 | K299 I310 T315 K316 G317 | K299-E313 VanDerWaalsContact CE-OE2 3.25Å; K299-E313 WeakPolarHBondContact CE-OE2 3.45Å; K299-E313 IonicContact NZ-OE1 2.78Å; K299-E313 PolarHBondContact NZ-OE1 2.87Å; K299-E313 IonicContact NZ-OE2 3.3Å; K299-E313 PolarHBondContact NZ-OE2 3.01Å; I310-E313 WeakPolarHBondContact O-CA 3Å; I310-E313 WeakPolarHBondContact O-CB 3.35Å; I310-E313 PolarHBondContact O-N 2.78Å; E313-T315 VanDerWaalsContact C-N 3.31Å; E313-T315 PolarHBondContact O-N 3.5Å; E313-K316 PolarHBondContact O-N 3.42Å; E313-G317 PolarHBondContact O-N 2.97Å |
| 314 | I | 93.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 173.2 | -52.1 | -60.7 | 0 | 0 | 0 | 110.8 | L292 L295 V296 K299 V305 I310 K316 G317 L318 L331 | L292-I314 HydrophobicContact CD1-CG2 3.82Å; L295-I314 HydrophobicContact CB-CD1 3.9Å; V296-I314 HydrophobicContact CG2-CD1 4.08Å; V296-I314 HydrophobicContact CG2-CG1 4.34Å; V296-I314 HydrophobicContact CG2-CG2 4.2Å; K299-I314 HydrophobicContact CG-CD1 4.22Å; V305-I314 HydrophobicContact CG1-CG1 4.02Å; V305-I314 HydrophobicContact CG2-CD1 4.33Å; I310-I314 PolarHBondContact O-N 3.16Å; I314-K316 PolarHBondContact O-N 2.91Å; I314-G317 PolarHBondContact O-N 3.16Å; I314-L318 HydrophobicContact CG2-CD1 4.09Å; I314-L318 WeakPolarHBondContact O-CG 3.42Å; I314-L318 PolarHBondContact O-N 3.15Å; I314-L331 HydrophobicContact CG2-CD1 4.33Å |
| 315 | T | 92.8 | Very high | 91 | Very high | 6 Ų | 6 | 71.5 Ų | 71.5 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 178 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | W311 R312 E313 L318 L320 A327 | W311-T315 WeakPolarHBondContact O-CB 3.5Å; W311-T315 PolarHBondContact O-N 3.16Å; W311-T315 PolarHBondContact O-OG1 3.26Å; R312-T315 PolarHBondContact O-N 2.64Å; E313-T315 VanDerWaalsContact C-N 3.31Å; E313-T315 PolarHBondContact O-N 3.5Å; T315-L318 PolarHBondContact O-N 2.87Å; T315-L320 HydrophobicContact CG2-CB 3.97Å; T315-L320 PolarHBondContact O-N 3.32Å; T315-L320 VanDerWaalsContact O-N 3.14Å; T315-A327 HydrophobicContact CG2-CB 4.03Å |
| 316 | K | 91.8 | Very high | 90.7 | Very high | 159 Ų | 159 | 74.7 Ų | 74.7 | 69% | 0.691 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 175.4 | -174.5 | -177.9 | 178.1 | -176.1 | 0 | 112.3 | R312 E313 I314 L318 N319 T322 | R312-K316 PolarHBondContact O-N 3.46Å; R312-K316 VanDerWaalsContact O-N 3.07Å; E313-K316 PolarHBondContact O-N 3.42Å; I314-K316 PolarHBondContact O-N 2.91Å; K316-L318 PolarHBondContact O-N 3.46Å; K316-N319 PolarHBondContact O-N 2.94Å; K316-T322 HydrophobicContact CB-CG2 4.37Å |
| 317 | G | 90.3 | Very high | 90.6 | Very high | 30 Ų | 30 | 74.8 Ų | 74.8 | 31% | 0.309 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.7 | -19.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L295 E313 I314 N319 | L295-G317 VanDerWaalsContact CD1-C 3.49Å; E313-G317 PolarHBondContact O-N 2.97Å; I314-G317 PolarHBondContact O-N 3.16Å; G317-N319 VanDerWaalsContact C-N 3.31Å |
| 318 | L | 89.3 | Confident | 90.5 | Very high | 20 Ų | 20 | 72.9 Ų | 72.9 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 6.7 | 170.6 | -67.6 | 171.9 | 0 | 0 | 0 | 113.4 | L287 M291 L292 L295 I314 T315 K316 L320 L331 | L287-L318 HydrophobicContact CD1-CD1 4.23Å; M291-L318 HydrophobicContact CB-CD2 3.87Å; M291-L318 HydrophobicContact CG-CD2 4.01Å; L292-L318 HydrophobicContact CB-CD1 4.34Å; L292-L318 HydrophobicContact CB-CD2 4.07Å; L292-L318 HydrophobicContact CD1-CD1 4.11Å; L295-L318 HydrophobicContact CD1-CD2 4.17Å; L295-L318 HydrophobicContact CD1-CG 4.12Å; I314-L318 HydrophobicContact CG2-CD1 4.09Å; I314-L318 WeakPolarHBondContact O-CG 3.42Å; I314-L318 PolarHBondContact O-N 3.15Å; T315-L318 PolarHBondContact O-N 2.87Å; K316-L318 PolarHBondContact O-N 3.46Å; L318-L320 HydrophobicContact CB-CD1 3.99Å; L318-L320 HydrophobicContact CB-CG 3.89Å; L318-L320 HydrophobicContact CD1-CD1 4.29Å; L318-L320 WeakPolarHBondContact O-CG 3.36Å; L318-L320 PolarHBondContact O-N 3.4Å; L318-L320 VanDerWaalsContact O-N 3.12Å; L318-L331 HydrophobicContact CD1-CD1 4.21Å; L318-L331 HydrophobicContact CD1-CD2 3.75Å |
| 319 | N | 87.6 | Confident | 90.4 | Very high | 144 Ų | 144 | 73.3 Ų | 73.3 | 77% | 0.77 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 18.5 | -174 | -58.5 | 87 | 0 | 0 | 0 | 114.5 | K316 G317 | K316-N319 PolarHBondContact O-N 2.94Å; G317-N319 VanDerWaalsContact C-N 3.31Å |
| 320 | L | 87.8 | Confident | 90.4 | Very high | 16 Ų | 16 | 70 Ų | 70 | 8% | 0.084 | 38% | 0.38 | C | S | . | . | trans | -88.4 | 145 | -177.3 | -61 | 179 | 0 | 0 | 0 | 111.5 | M282 T315 L318 T322 | M282-L320 HydrophobicContact CE-CD1 3.33Å; T315-L320 HydrophobicContact CG2-CB 3.97Å; T315-L320 PolarHBondContact O-N 3.32Å; T315-L320 VanDerWaalsContact O-N 3.14Å; L318-L320 HydrophobicContact CB-CD1 3.99Å; L318-L320 HydrophobicContact CB-CG 3.89Å; L318-L320 HydrophobicContact CD1-CD1 4.29Å; L318-L320 WeakPolarHBondContact O-CG 3.36Å; L318-L320 PolarHBondContact O-N 3.4Å; L318-L320 VanDerWaalsContact O-N 3.12Å; L320-T322 PolarHBondContact O-N 3.25Å | ||
| 321 | P | 88.2 | Confident | 90.4 | Very high | 65 Ų | 65 | 68.3 Ų | 68.3 | 42% | 0.422 | 37% | 0.371 | S | S | . | . | trans | -56.2 | 121.3 | -179.6 | -27.5 | 33.9 | 0 | 0 | 0 | 113.6 | S323 I324 | P321-S323 PolarHBondContact O-N 3.23Å; P321-S323 VanDerWaalsContact O-N 3.11Å; P321-I324 HydrophobicContact CB-CD1 4.11Å; P321-I324 HydrophobicContact CB-CG1 4.21Å; P321-I324 HydrophobicContact CG-CD1 4.36Å; P321-I324 VanDerWaalsContact O-CD1 3.29Å; P321-I324 WeakPolarHBondContact O-CD1 3.49Å; P321-I324 VanDerWaalsContact O-CG1 3.24Å; P321-I324 WeakPolarHBondContact O-CG1 3.3Å; P321-I324 PolarHBondContact O-N 3.03Å; P321-I324 VanDerWaalsContact O-N 3.17Å | ||
| 322 | T | 85.6 | Confident | 90.4 | Very high | 105 Ų | 105 | 69.8 Ų | 69.8 | 64% | 0.644 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -8.7 | 179.5 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | K316 L320 I324 | K316-T322 HydrophobicContact CB-CG2 4.37Å; L320-T322 PolarHBondContact O-N 3.25Å; T322-I324 VanDerWaalsContact C-N 3.26Å; T322-I324 PolarHBondContact O-N 3.32Å |
| 323 | S | 86.9 | Confident | 90.4 | Very high | 99 Ų | 99 | 62 Ų | 62 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -9.4 | 172.3 | 51 | 0 | 0 | 0 | 0 | 113.9 | P321 T325 | P321-S323 PolarHBondContact O-N 3.23Å; P321-S323 VanDerWaalsContact O-N 3.11Å; S323-T325 PolarHBondContact O-N 3.32Å |
| 324 | I | 88 | Confident | 90.3 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 21% | 0.205 | 34% | 0.342 | C | S | . | . | trans | -74.5 | 91.9 | 178.7 | -56.8 | 160.1 | 0 | 0 | 0 | 109.6 | A283 P321 T322 S326 A327 | A283-I324 HydrophobicContact CB-CD1 3.62Å; P321-I324 HydrophobicContact CB-CD1 4.11Å; P321-I324 HydrophobicContact CB-CG1 4.21Å; P321-I324 HydrophobicContact CG-CD1 4.36Å; P321-I324 VanDerWaalsContact O-CD1 3.29Å; P321-I324 WeakPolarHBondContact O-CD1 3.49Å; P321-I324 VanDerWaalsContact O-CG1 3.24Å; P321-I324 WeakPolarHBondContact O-CG1 3.3Å; P321-I324 PolarHBondContact O-N 3.03Å; P321-I324 VanDerWaalsContact O-N 3.17Å; T322-I324 VanDerWaalsContact C-N 3.26Å; T322-I324 PolarHBondContact O-N 3.32Å; I324-S326 PolarHBondContact O-N 2.59Å; I324-A327 HydrophobicContact CB-CB 3.99Å; I324-A327 HydrophobicContact CG2-CB 3.89Å; I324-A327 VanDerWaalsContact O-CB 3.28Å; I324-A327 WeakPolarHBondContact O-CB 3.29Å; I324-A327 PolarHBondContact O-N 2.81Å | ||
| 325 | T | 88.6 | Confident | 90.2 | Very high | 147 Ų | 147 | 59.6 Ų | 59.6 | 90% | 0.902 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -32.1 | -178.2 | -47.1 | 0 | 0 | 0 | 0 | 114 | S323 | S323-T325 PolarHBondContact O-N 3.32Š|
| 326 | S | 88.4 | Confident | 90.2 | Very high | 67 Ų | 67 | 62.1 Ų | 62.1 | 47% | 0.469 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -3.6 | -179.6 | 54.7 | 0 | 0 | 0 | 0 | 115 | I324 A328 F329 T330 | I324-S326 PolarHBondContact O-N 2.59Å; S326-A328 VanDerWaalsContact C-N 3.31Å; S326-A328 PolarHBondContact O-N 2.87Å; S326-F329 PolarHBondContact O-N 2.99Å; S326-T330 PolarHBondContact O-N 2.88Å; S326-T330 PolarHBondContact O-OG1 3.48Å |
| 327 | A | 90.2 | Very high | 90.1 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.9 | -43.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M282 T315 I324 F329 T330 L331 | M282-A327 HydrophobicContact CE-CB 4.04Å; M282-A327 HydrophobicContact SD-CB 4.46Å; T315-A327 HydrophobicContact CG2-CB 4.03Å; I324-A327 HydrophobicContact CB-CB 3.99Å; I324-A327 HydrophobicContact CG2-CB 3.89Å; I324-A327 VanDerWaalsContact O-CB 3.28Å; I324-A327 WeakPolarHBondContact O-CB 3.29Å; I324-A327 PolarHBondContact O-N 2.81Å; A327-F329 VanDerWaalsContact C-N 3.31Å; A327-F329 PolarHBondContact O-N 3.42Å; A327-T330 PolarHBondContact O-N 3.4Å; A327-L331 VanDerWaalsContact O-CB 3.26Å; A327-L331 WeakPolarHBondContact O-CB 3.46Å; A327-L331 VanDerWaalsContact O-CG 3.25Å; A327-L331 WeakPolarHBondContact O-CG 3.4Å; A327-L331 PolarHBondContact O-N 3.4Å |
| 328 | A | 91.7 | Very high | 90 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 33% | 0.331 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | W311 S326 R332 | W311-A328 HydrophobicContact CB-CB 3.45Å; W311-A328 VanDerWaalsContact CB-CB 3.45Å; W311-A328 HydrophobicContact CD2-CB 4.48Å; W311-A328 HydrophobicContact CG-CB 3.69Å; S326-A328 VanDerWaalsContact C-N 3.31Å; S326-A328 PolarHBondContact O-N 2.87Å; A328-R332 WeakPolarHBondContact O-CB 3.17Å; A328-R332 PolarHBondContact O-N 2.9Å |
| 329 | F | 91.9 | Very high | 90.1 | Very high | 135 Ų | 135 | 59.2 Ų | 59.2 | 59% | 0.592 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -75.3 | -42.5 | 177.7 | 177.2 | -97.4 | 0 | 0 | 0 | 111.9 | S326 A327 T333 | S326-F329 PolarHBondContact O-N 2.99Å; A327-F329 VanDerWaalsContact C-N 3.31Å; A327-F329 PolarHBondContact O-N 3.42Å; F329-T333 WeakPolarHBondContact O-CB 3.13Å; F329-T333 PolarHBondContact O-N 2.91Å; F329-T333 PolarHBondContact O-OG1 3.44Å |
| 330 | T | 92.7 | Very high | 90.3 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -51.7 | 178.6 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | M282 S326 A327 R332 T333 Q334 | M282-T330 HydrophobicContact CG-CG2 4.3Å; M282-T330 HydrophobicContact SD-CG2 3.55Å; M282-T330 VanDerWaalsContact SD-CG2 3.55Å; S326-T330 PolarHBondContact O-N 2.88Å; S326-T330 PolarHBondContact O-OG1 3.48Å; A327-T330 PolarHBondContact O-N 3.4Å; T330-R332 PolarHBondContact O-N 3.31Å; T330-T333 PolarHBondContact O-N 2.92Å; T330-T333 VanDerWaalsContact O-N 3.12Å; T330-Q334 HydrophobicContact CG2-CG 4.34Å; T330-Q334 WeakPolarHBondContact O-CG 3.34Å; T330-Q334 PolarHBondContact O-N 3.44Å |
| 331 | L | 93.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.7 | -47.6 | 177.6 | -70.6 | 174.4 | 0 | 0 | 0 | 111.4 | M282 L287 L292 W311 I314 L318 A327 T333 Q334 Y335 | M282-L331 HydrophobicContact CE-CD1 4.15Å; M282-L331 HydrophobicContact CE-CD2 3.63Å; M282-L331 HydrophobicContact CE-CG 3.69Å; M282-L331 HydrophobicContact SD-CD2 4.42Å; M282-L331 HydrophobicContact SD-CG 4.35Å; L287-L331 HydrophobicContact CD1-CD2 3.58Å; L287-L331 HydrophobicContact CD2-CD2 4.38Å; L292-L331 HydrophobicContact CD1-CD2 4.35Å; L292-L331 HydrophobicContact CD2-CD2 4.43Å; W311-L331 HydrophobicContact CE3-CB 3.77Å; W311-L331 HydrophobicContact CE3-CD1 4.24Å; W311-L331 HydrophobicContact CZ3-CB 3.62Å; I314-L331 HydrophobicContact CG2-CD1 4.33Å; L318-L331 HydrophobicContact CD1-CD1 4.21Å; L318-L331 HydrophobicContact CD1-CD2 3.75Å; A327-L331 VanDerWaalsContact O-CB 3.26Å; A327-L331 WeakPolarHBondContact O-CB 3.46Å; A327-L331 VanDerWaalsContact O-CG 3.25Å; A327-L331 WeakPolarHBondContact O-CG 3.4Å; A327-L331 PolarHBondContact O-N 3.4Å; L331-T333 VanDerWaalsContact C-N 3.31Å; L331-T333 PolarHBondContact O-N 2.97Å; L331-Q334 PolarHBondContact O-N 3.43Å; L331-Y335 VanDerWaalsContact O-CB 3.23Å; L331-Y335 WeakPolarHBondContact O-CB 3.47Å; L331-Y335 PolarHBondContact O-N 2.96Å |
| 332 | R | 92.7 | Very high | 90.4 | Very high | 47 Ų | 47 | 51 Ų | 51 | 18% | 0.177 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.8 | -44.7 | 175.8 | -171.6 | -172 | 119.6 | -169.3 | -4.4 | 112.1 | L302 I306 W311 A328 T330 Y335 M336 I359 | L302-R332 HydrophobicContact CD1-CG 4.32Å; I306-R332 HydrophobicContact CD1-CG 4.01Å; I306-R332 HydrophobicContact CG1-CG 4.35Å; W311-R332 HydrophobicContact CH2-CB 3.84Å; W311-R332 HydrophobicContact CH2-CG 4.28Å; W311-R332 HydrophobicContact CZ2-CB 3.55Å; W311-R332 HydrophobicContact CZ2-CG 3.74Å; A328-R332 WeakPolarHBondContact O-CB 3.17Å; A328-R332 PolarHBondContact O-N 2.9Å; T330-R332 PolarHBondContact O-N 3.31Å; R332-Y335 PolarHBondContact O-N 3.47Å; R332-M336 VanDerWaalsContact O-CB 3.24Å; R332-M336 WeakPolarHBondContact O-CB 3.33Å; R332-M336 PolarHBondContact O-N 3.28Å; R332-I359 VanDerWaalsContact NH2-CG2 3.31Å |
| 333 | T | 92.1 | Very high | 90.7 | Very high | 50 Ų | 50 | 46 Ų | 46 | 31% | 0.307 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | -179.1 | -59.5 | 0 | 0 | 0 | 0 | 112 | F329 T330 L331 K337 | F329-T333 WeakPolarHBondContact O-CB 3.13Å; F329-T333 PolarHBondContact O-N 2.91Å; F329-T333 PolarHBondContact O-OG1 3.44Å; T330-T333 PolarHBondContact O-N 2.92Å; T330-T333 VanDerWaalsContact O-N 3.12Å; L331-T333 VanDerWaalsContact C-N 3.31Å; L331-T333 PolarHBondContact O-N 2.97Å; T333-K337 WeakPolarHBondContact O-CB 3.21Å; T333-K337 PolarHBondContact O-N 3.31Å |
| 334 | Q | 91.4 | Very high | 90.7 | Very high | 44 Ų | 44 | 43.1 Ų | 43.1 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -41.2 | 175.9 | -56.3 | -47.7 | -29.8 | 0 | 0 | 111.7 | P280 L287 T330 L331 K337 Y338 | P280-Q334 HydrophobicContact CB-CB 4.31Å; P280-Q334 HydrophobicContact CB-CG 3.72Å; P280-Q334 HydrophobicContact CG-CB 4.14Å; P280-Q334 HydrophobicContact CG-CG 4Å; L287-Q334 HydrophobicContact CD2-CB 3.68Å; L287-Q334 HydrophobicContact CD2-CG 3.93Å; T330-Q334 HydrophobicContact CG2-CG 4.34Å; T330-Q334 WeakPolarHBondContact O-CG 3.34Å; T330-Q334 PolarHBondContact O-N 3.44Å; L331-Q334 PolarHBondContact O-N 3.43Å; Q334-K337 PolarHBondContact O-N 3.2Å; Q334-Y338 WeakPolarHBondContact O-CD2 3.35Å; Q334-Y338 PolarHBondContact O-N 3.36Å |
| 335 | Y | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -50.2 | 175.9 | -162.6 | -73 | 0 | 0 | 0 | 111.3 | L292 V296 L302 L331 R332 K337 Y338 L339 Y340 E343 | L292-Y335 HydrophobicContact CD1-CD2 3.87Å; L292-Y335 HydrophobicContact CD1-CE2 4.46Å; L292-Y335 HydrophobicContact CD2-CD2 4.04Å; L292-Y335 HydrophobicContact CG-CD2 3.68Å; L292-Y335 HydrophobicContact CG-CE2 4.18Å; V296-Y335 HydrophobicContact CB-CD2 4.19Å; V296-Y335 HydrophobicContact CB-CE2 3.47Å; V296-Y335 VanDerWaalsContact CB-CE2 3.47Å; V296-Y335 HydrophobicContact CG1-CD2 4.25Å; V296-Y335 HydrophobicContact CG1-CE1 4.16Å; V296-Y335 HydrophobicContact CG1-CE2 3.59Å; V296-Y335 HydrophobicContact CG2-CD2 3.87Å; V296-Y335 HydrophobicContact CG2-CE2 3.66Å; L302-Y335 HydrophobicContact CB-CD1 4.05Å; L302-Y335 HydrophobicContact CB-CE1 3.92Å; L302-Y335 HydrophobicContact CD1-CD1 3.75Å; L302-Y335 HydrophobicContact CD1-CE1 4.41Å; L302-Y335 HydrophobicContact CD1-CG 4.04Å; L302-Y335 HydrophobicContact CD2-CD1 3.95Å; L302-Y335 HydrophobicContact CG-CD1 4.12Å; L331-Y335 VanDerWaalsContact O-CB 3.23Å; L331-Y335 WeakPolarHBondContact O-CB 3.47Å; L331-Y335 PolarHBondContact O-N 2.96Å; R332-Y335 PolarHBondContact O-N 3.47Å; Y335-K337 PolarHBondContact O-N 3.33Å; Y335-Y338 PolarHBondContact O-N 3.33Å; Y335-L339 HydrophobicContact CD1-CB 3.92Å; Y335-L339 HydrophobicContact CD2-CB 3.98Å; Y335-L339 HydrophobicContact CD2-CD1 3.61Å; Y335-L339 HydrophobicContact CD2-CG 4.43Å; Y335-L339 HydrophobicContact CE1-CB 3.82Å; Y335-L339 HydrophobicContact CE2-CB 3.85Å; Y335-L339 HydrophobicContact CE2-CD1 3.63Å; Y335-L339 HydrophobicContact CE2-CG 4.41Å; Y335-L339 HydrophobicContact CG-CB 4.01Å; Y335-L339 HydrophobicContact CG-CD1 4.31Å; Y335-L339 WeakPolarHBondContact O-CA 3.35Å; Y335-L339 PolarHBondContact O-N 2.97Å; Y335-Y340 PolarHBondContact O-N 3.3Å; Y335-E343 WeakPolarHBondContact CE1-OE2 3.34Å; Y335-E343 PolarHBondContact OH-OE2 2.62Å |
| 336 | M | 92 | Very high | 90.5 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 29% | 0.291 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.5 | -31.3 | 179.1 | -166.4 | 177.8 | 81.1 | 0 | 0 | 112.6 | L302 R332 L355 I359 | L302-M336 HydrophobicContact CD2-CB 4.36Å; R332-M336 VanDerWaalsContact O-CB 3.24Å; R332-M336 WeakPolarHBondContact O-CB 3.33Å; R332-M336 PolarHBondContact O-N 3.28Å; M336-L355 HydrophobicContact CG-CD2 4.23Å; M336-L355 HydrophobicContact SD-CD2 4.32Å; M336-I359 HydrophobicContact SD-CD1 4.43Å |
| 337 | K | 89.2 | Confident | 90.2 | Very high | 127 Ų | 127 | 50.3 Ų | 50.3 | 55% | 0.552 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -80.3 | -43.4 | 178.9 | -177.5 | 178.2 | 171.7 | -159 | 0 | 113.9 | T333 Q334 Y335 | T333-K337 WeakPolarHBondContact O-CB 3.21Å; T333-K337 PolarHBondContact O-N 3.31Å; Q334-K337 PolarHBondContact O-N 3.2Å; Y335-K337 PolarHBondContact O-N 3.33Å |
| 338 | Y | 89.2 | Confident | 89.9 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 8% | 0.078 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -111.4 | -30.4 | -167.7 | -66.1 | -82.1 | 0 | 0 | 0 | 114.8 | M269 V276 R278 P280 Q334 Y335 | M269-Y338 HydrophobicContact CE-CD1 4.41Å; M269-Y338 HydrophobicContact SD-CD1 3.78Å; V276-Y338 HydrophobicContact CB-CE1 4.37Å; V276-Y338 HydrophobicContact CG1-CD1 4.41Å; V276-Y338 HydrophobicContact CG1-CE1 3.88Å; V276-Y338 HydrophobicContact CG2-CD1 3.89Å; V276-Y338 HydrophobicContact CG2-CE1 3.99Å; R278-Y338 PolarHBondContact O-OH 3.2Å; R278-Y338 VanDerWaalsContact O-OH 3.1Å; P280-Y338 HydrophobicContact CG-CD2 3.79Å; P280-Y338 HydrophobicContact CG-CE2 3.39Å; Q334-Y338 WeakPolarHBondContact O-CD2 3.35Å; Q334-Y338 PolarHBondContact O-N 3.36Å; Y335-Y338 PolarHBondContact O-N 3.33Å |
| 339 | L | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -34.1 | -170.2 | -67.3 | 175.5 | 0 | 0 | 0 | 113.4 | F261 L265 L289 L292 Y293 Y335 Y342 E343 | F261-L339 HydrophobicContact CZ-CD2 4.06Å; L265-L339 HydrophobicContact CD1-CD2 4.09Å; L265-L339 HydrophobicContact CD2-CD2 3.59Å; L289-L339 HydrophobicContact CB-CD2 4.39Å; L292-L339 HydrophobicContact CB-CD1 4.15Å; L292-L339 HydrophobicContact CD2-CD1 3.74Å; L292-L339 HydrophobicContact CG-CD1 3.72Å; Y293-L339 HydrophobicContact CD2-CD2 4.49Å; Y335-L339 HydrophobicContact CD1-CB 3.92Å; Y335-L339 HydrophobicContact CD2-CB 3.98Å; Y335-L339 HydrophobicContact CD2-CD1 3.61Å; Y335-L339 HydrophobicContact CD2-CG 4.43Å; Y335-L339 HydrophobicContact CE1-CB 3.82Å; Y335-L339 HydrophobicContact CE2-CB 3.85Å; Y335-L339 HydrophobicContact CE2-CD1 3.63Å; Y335-L339 HydrophobicContact CE2-CG 4.41Å; Y335-L339 HydrophobicContact CG-CB 4.01Å; Y335-L339 HydrophobicContact CG-CD1 4.31Å; Y335-L339 WeakPolarHBondContact O-CA 3.35Å; Y335-L339 PolarHBondContact O-N 2.97Å; L339-Y342 WeakPolarHBondContact O-CB 3.47Å; L339-Y342 PolarHBondContact O-N 3.33Å; L339-Y342 VanDerWaalsContact O-N 3.11Å; L339-E343 PolarHBondContact O-N 3.04Å |
| 340 | Y | 91.7 | Very high | 88.9 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -43.3 | -177 | 179.6 | -115 | 0 | 0 | 0 | 114.1 | L302 Y335 Y342 E343 C344 S350 S351 P352 L355 | L302-Y340 HydrophobicContact CB-CD2 4.04Å; L302-Y340 HydrophobicContact CD2-CD2 3.68Å; L302-Y340 HydrophobicContact CD2-CE2 4.37Å; L302-Y340 HydrophobicContact CD2-CG 3.86Å; L302-Y340 HydrophobicContact CG-CD2 4.5Å; Y335-Y340 PolarHBondContact O-N 3.3Å; Y340-Y342 PolarHBondContact O-N 2.94Å; Y340-E343 WeakPolarHBondContact O-CB 3.21Å; Y340-E343 PolarHBondContact O-N 2.96Å; Y340-C344 WeakPolarHBondContact CE2-SG 3.44Å; Y340-C344 PolarHBondContact O-N 3.32Å; Y340-C344 PolarHBondContact O-SG 2.85Å; Y340-C344 PolarHBondContact OH-SG 2.86Å; Y340-S350 PolarHBondContact OH-O 2.95Å; Y340-S351 PolarHBondContact OH-O 2.92Å; Y340-P352 WeakPolarHBondContact OH-CA 3.43Å; Y340-P352 VanDerWaalsContact OH-N 3.12Å; Y340-L355 HydrophobicContact CD1-CD2 3.86Å; Y340-L355 HydrophobicContact CD2-CD2 4.39Å; Y340-L355 HydrophobicContact CE1-CD2 3.51Å; Y340-L355 HydrophobicContact CE2-CD2 4.09Å; Y340-L355 HydrophobicContact CG-CD2 4.3Å |
| 341 | P | 89.4 | Confident | 88.5 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -32.1 | 176.6 | -21.4 | 34 | 0 | 0 | 0 | 113 | F268 E345 | F268-P341 HydrophobicContact CE1-CB 4.16Å; F268-P341 HydrophobicContact CZ-CB 4.38Å; P341-E345 PolarHBondContact O-N 3.36Å |
| 342 | Y | 89.6 | Confident | 88.2 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -75.4 | -37.2 | 177 | -179.7 | -89 | 0 | 0 | 0 | 111.8 | F261 D264 L265 F268 Y293 L339 Y340 E345 R346 | F261-Y342 HydrophobicContact CD2-CE1 4.02Å; F261-Y342 HydrophobicContact CE2-CD1 4.21Å; F261-Y342 AromaticContact CE2-CE1 3.47Å; F261-Y342 HydrophobicContact CE2-CE1 3.47Å; F261-Y342 VanDerWaalsContact CE2-CE1 3.47Å; F261-Y342 AromaticContact CE2-CZ 3.98Å; F261-Y342 HydrophobicContact CZ-CE1 4.36Å; D264-Y342 VanDerWaalsContact OD2-CE2 3.22Å; D264-Y342 WeakPolarHBondContact OD2-CE2 3.43Å; D264-Y342 PolarHBondContact OD2-OH 2.76Å; L265-Y342 HydrophobicContact CB-CE2 4.28Å; L265-Y342 HydrophobicContact CD1-CD1 4.25Å; L265-Y342 HydrophobicContact CD1-CD2 3.74Å; L265-Y342 HydrophobicContact CD1-CE2 4.29Å; L265-Y342 HydrophobicContact CD1-CG 3.69Å; F268-Y342 HydrophobicContact CB-CD2 4.15Å; F268-Y342 AromaticContact CD1-CD2 3.68Å; F268-Y342 HydrophobicContact CD1-CD2 3.68Å; F268-Y342 HydrophobicContact CD1-CG 4.3Å; F268-Y342 HydrophobicContact CE1-CD2 4.17Å; F268-Y342 HydrophobicContact CE1-CG 4.42Å; F268-Y342 AromaticContact CG-CD2 3.89Å; F268-Y342 HydrophobicContact CG-CD2 3.89Å; Y293-Y342 HydrophobicContact CD2-CD1 4.35Å; Y293-Y342 HydrophobicContact CE1-CE1 4.37Å; Y293-Y342 AromaticContact CE2-CD1 3.84Å; Y293-Y342 HydrophobicContact CE2-CD1 3.84Å; Y293-Y342 HydrophobicContact CE2-CE1 4.17Å; Y293-Y342 AromaticContact CZ-CE1 3.99Å; L339-Y342 WeakPolarHBondContact O-CB 3.47Å; L339-Y342 PolarHBondContact O-N 3.33Å; L339-Y342 VanDerWaalsContact O-N 3.11Å; Y340-Y342 PolarHBondContact O-N 2.94Å; Y342-E345 PolarHBondContact O-N 3.46Å; Y342-R346 HydrophobicContact CD1-CG 4.5Å; Y342-R346 HydrophobicContact CD2-CG 4.41Å; Y342-R346 HydrophobicContact CE1-CG 4.24Å; Y342-R346 HydrophobicContact CE2-CG 4.19Å; Y342-R346 WeakPolarHBondContact O-CB 3.27Å; Y342-R346 PolarHBondContact O-N 3.34Å; Y342-R346 VanDerWaalsContact OH-CD 3.28Å; Y342-R346 WeakPolarHBondContact OH-CD 2.99Å; Y342-R346 PolarHBondContact OH-NH1 3.49Å |
| 343 | E | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 170.8 | -173.7 | -172 | 140.3 | 0 | 0 | 111.7 | Y293 G301 L302 Y335 L339 Y340 E345 K347 G348 L349 | Y293-E343 HydrophobicContact CE2-CB 4.13Å; Y293-E343 HydrophobicContact CE2-CG 4.5Å; G301-E343 WeakPolarHBondContact CA-OE1 3.46Å; L302-E343 PolarHBondContact N-OE1 2.96Å; L302-E343 VanDerWaalsContact N-OE1 3.14Å; L302-E343 PolarHBondContact N-OE2 2.94Å; Y335-E343 WeakPolarHBondContact CE1-OE2 3.34Å; Y335-E343 PolarHBondContact OH-OE2 2.62Å; L339-E343 PolarHBondContact O-N 3.04Å; Y340-E343 WeakPolarHBondContact O-CB 3.21Å; Y340-E343 PolarHBondContact O-N 2.96Å; E343-E345 PolarHBondContact O-N 2.98Å; E343-K347 WeakPolarHBondContact O-CA 3.48Å; E343-K347 PolarHBondContact O-N 3.32Å; E343-G348 PolarHBondContact O-N 3.47Å; E343-L349 HydrophobicContact CG-CD1 4.44Å |
| 344 | C | 88.1 | Confident | 87.9 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 27% | 0.27 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 176.8 | -69.2 | 0 | 0 | 0 | 0 | 112 | Y340 G348 S350 | Y340-C344 WeakPolarHBondContact CE2-SG 3.44Å; Y340-C344 PolarHBondContact O-N 3.32Å; Y340-C344 PolarHBondContact O-SG 2.85Å; Y340-C344 PolarHBondContact OH-SG 2.86Å; C344-G348 VanDerWaalsContact O-CA 3.28Å; C344-G348 WeakPolarHBondContact O-CA 3.36Å; C344-G348 PolarHBondContact O-N 3.5Å; C344-S350 PolarHBondContact SG-O 3.29Å |
| 345 | E | 85.5 | Confident | 87.8 | Confident | 139 Ų | 139 | 54.1 Ų | 54.1 | 65% | 0.65 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -74.4 | -40.2 | -177 | -166.4 | 165.6 | 122.5 | 0 | 0 | 113.1 | F268 P341 Y342 E343 | F268-E345 HydrophobicContact CE2-CB 4.26Å; F268-E345 VanDerWaalsContact CE2-CD 3.5Å; F268-E345 HydrophobicContact CE2-CG 4.43Å; F268-E345 WeakPolarHBondContact CE2-OE1 3.41Å; F268-E345 WeakPolarHBondContact CE2-OE2 3.48Å; F268-E345 HydrophobicContact CZ-CB 4.3Å; P341-E345 PolarHBondContact O-N 3.36Å; Y342-E345 PolarHBondContact O-N 3.46Å; E343-E345 PolarHBondContact O-N 2.98Å |
| 346 | R | 85.6 | Confident | 87.7 | Confident | 155 Ų | 155 | 57.7 Ų | 57.7 | 59% | 0.585 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -87.8 | -19 | -176.1 | -65.9 | -151 | 68.1 | 170.6 | -5.8 | 115.2 | D264 Y342 | D264-R346 IonicContact OD2-CZ 2.64Å; D264-R346 IonicContact OD2-NH1 2.75Å; D264-R346 PolarHBondContact OD2-NH1 2.86Å; Y342-R346 HydrophobicContact CD1-CG 4.5Å; Y342-R346 HydrophobicContact CD2-CG 4.41Å; Y342-R346 HydrophobicContact CE1-CG 4.24Å; Y342-R346 HydrophobicContact CE2-CG 4.19Å; Y342-R346 WeakPolarHBondContact O-CB 3.27Å; Y342-R346 PolarHBondContact O-N 3.34Å; Y342-R346 VanDerWaalsContact OH-CD 3.28Å; Y342-R346 WeakPolarHBondContact OH-CD 2.99Å; Y342-R346 PolarHBondContact OH-NH1 3.49Å |
| 347 | K | 83.5 | Confident | 87.7 | Confident | 111 Ų | 111 | 57.9 Ų | 57.9 | 48% | 0.483 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -140.7 | -19.8 | -176.6 | -63.6 | -165.2 | 175.8 | -157.9 | 0 | 115.9 | Y293 T297 E343 L349 | Y293-K347 WeakPolarHBondContact OH-CE 3.35Å; T297-K347 HydrophobicContact CG2-CD 3.47Å; T297-K347 VanDerWaalsContact CG2-CD 3.47Å; E343-K347 WeakPolarHBondContact O-CA 3.48Å; E343-K347 PolarHBondContact O-N 3.32Å; K347-L349 HydrophobicContact CB-CD1 4.3Å; K347-L349 HydrophobicContact CB-CD2 4.23Å; K347-L349 HydrophobicContact CB-CG 3.81Å; K347-L349 HydrophobicContact CD-CD1 4.35Å; K347-L349 PolarHBondContact O-N 2.96Å; K347-L349 VanDerWaalsContact O-N 3.14Å |
| 348 | G | 82.9 | Confident | 87.8 | Confident | 55 Ų | 55 | 52 Ų | 52 | 57% | 0.567 | 30% | 0.295 | S | S | * | . | trans | 61.1 | 23 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | E343 C344 S350 | E343-G348 PolarHBondContact O-N 3.47Å; C344-G348 VanDerWaalsContact O-CA 3.28Å; C344-G348 WeakPolarHBondContact O-CA 3.36Å; C344-G348 PolarHBondContact O-N 3.5Å; G348-S350 PolarHBondContact O-N 3.44Å; G348-S350 VanDerWaalsContact O-N 3.11Å | ||
| 349 | L | 80.8 | Confident | 87.8 | Confident | 75 Ų | 75 | 51.8 Ų | 51.8 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | trans | -68.2 | -9.6 | -171.9 | -58 | -180 | 0 | 0 | 0 | 114.5 | T297 E343 K347 | T297-L349 HydrophobicContact CG2-CD1 4.17Å; E343-L349 HydrophobicContact CG-CD1 4.44Å; K347-L349 HydrophobicContact CB-CD1 4.3Å; K347-L349 HydrophobicContact CB-CD2 4.23Å; K347-L349 HydrophobicContact CB-CG 3.81Å; K347-L349 HydrophobicContact CD-CD1 4.35Å; K347-L349 PolarHBondContact O-N 2.96Å; K347-L349 VanDerWaalsContact O-N 3.14Å | ||
| 350 | S | 81.3 | Confident | 87.8 | Confident | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | trans | -166.4 | 128.5 | -169.9 | -72.8 | 0 | 0 | 0 | 0 | 112.6 | V303 Y340 C344 G348 | V303-S350 VanDerWaalsContact CB-OG 3.29Å; V303-S350 WeakPolarHBondContact CB-OG 3.48Å; V303-S350 WeakPolarHBondContact CG2-OG 3.35Å; Y340-S350 PolarHBondContact OH-O 2.95Å; C344-S350 PolarHBondContact SG-O 3.29Å; G348-S350 PolarHBondContact O-N 3.44Å; G348-S350 VanDerWaalsContact O-N 3.11Å | ||
| 351 | S | 85.9 | Confident | 87.7 | Confident | 52 Ų | 52 | 57.9 Ų | 57.9 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | trans | -83.3 | 157.6 | 170.8 | 71.1 | 0 | 0 | 0 | 0 | 112.9 | Y340 G353 E354 L355 | Y340-S351 PolarHBondContact OH-O 2.92Å; S351-G353 PolarHBondContact O-N 3.21Å; S351-E354 WeakPolarHBondContact CB-OE2 3.38Å; S351-E354 PolarHBondContact N-OE2 3.49Å; S351-E354 PolarHBondContact O-N 2.8Å; S351-E354 VanDerWaalsContact OG-CD 3.29Å; S351-E354 WeakPolarHBondContact OG-CG 3.38Å; S351-E354 PolarHBondContact OG-N 3.33Å; S351-E354 PolarHBondContact OG-OE2 3.09Å; S351-L355 PolarHBondContact O-N 3.03Å | ||
| 352 | P | 86.3 | Confident | 87.4 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60 | -28.8 | 176 | -27 | 36.1 | 0 | 0 | 0 | 113.9 | Y340 Q356 | Y340-P352 WeakPolarHBondContact OH-CA 3.43Å; Y340-P352 VanDerWaalsContact OH-N 3.12Å; P352-Q356 PolarHBondContact O-N 3.32Å |
| 353 | G | 87.9 | Confident | 87.1 | Confident | 50 Ų | 50 | 68.4 Ų | 68.4 | 52% | 0.515 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.2 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S351 L355 Q356 A357 | S351-G353 PolarHBondContact O-N 3.21Å; G353-L355 VanDerWaalsContact C-N 3.32Å; G353-Q356 PolarHBondContact O-N 2.89Å; G353-A357 PolarHBondContact O-N 3.28Å |
| 354 | E | 90.1 | Very high | 86 | Confident | 109 Ų | 109 | 78.4 Ų | 78.4 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 174.2 | -68.3 | 160.8 | 127.2 | 0 | 0 | 111.3 | V303 S351 A357 A358 | V303-E354 HydrophobicContact CG1-CB 4.32Å; S351-E354 WeakPolarHBondContact CB-OE2 3.38Å; S351-E354 PolarHBondContact N-OE2 3.49Å; S351-E354 PolarHBondContact O-N 2.8Å; S351-E354 VanDerWaalsContact OG-CD 3.29Å; S351-E354 WeakPolarHBondContact OG-CG 3.38Å; S351-E354 PolarHBondContact OG-N 3.33Å; S351-E354 PolarHBondContact OG-OE2 3.09Å; E354-A357 PolarHBondContact O-N 3.43Å; E354-A358 WeakPolarHBondContact O-CB 3.49Å; E354-A358 PolarHBondContact O-N 3.41Å |
| 355 | L | 90.4 | Very high | 84.9 | Confident | 9 Ų | 9 | 81.8 Ų | 81.8 | 5% | 0.047 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.3 | -49.8 | 172.2 | 178.7 | 60.1 | 0 | 0 | 0 | 111.6 | L302 V303 I306 M336 Y340 S351 G353 A357 A358 I359 | L302-L355 HydrophobicContact CD2-CD1 3.63Å; L302-L355 HydrophobicContact CD2-CD2 3.85Å; L302-L355 HydrophobicContact CD2-CG 4.42Å; L302-L355 HydrophobicContact CG-CD1 3.9Å; V303-L355 HydrophobicContact CG2-CB 3.74Å; V303-L355 HydrophobicContact CG2-CD1 3.98Å; V303-L355 HydrophobicContact CG2-CG 4.47Å; I306-L355 HydrophobicContact CD1-CD1 3.51Å; M336-L355 HydrophobicContact CG-CD2 4.23Å; M336-L355 HydrophobicContact SD-CD2 4.32Å; Y340-L355 HydrophobicContact CD1-CD2 3.86Å; Y340-L355 HydrophobicContact CD2-CD2 4.39Å; Y340-L355 HydrophobicContact CE1-CD2 3.51Å; Y340-L355 HydrophobicContact CE2-CD2 4.09Å; Y340-L355 HydrophobicContact CG-CD2 4.3Å; S351-L355 PolarHBondContact O-N 3.03Å; G353-L355 VanDerWaalsContact C-N 3.32Å; L355-A357 VanDerWaalsContact C-N 3.32Å; L355-A357 PolarHBondContact O-N 3.48Å; L355-A358 PolarHBondContact O-N 2.83Å; L355-I359 HydrophobicContact CD1-CD1 3.82Å; L355-I359 HydrophobicContact CD1-CG1 4.15Å; L355-I359 HydrophobicContact CG-CD1 3.76Å; L355-I359 HydrophobicContact CG-CG1 4.49Å; L355-I359 WeakPolarHBondContact O-CB 3.31Å; L355-I359 WeakPolarHBondContact O-CD1 3.41Å; L355-I359 WeakPolarHBondContact O-CG1 3.31Å; L355-I359 PolarHBondContact O-N 2.89Å |
| 356 | Q | 91.1 | Very high | 83.6 | Confident | 74 Ų | 74 | 78.7 Ų | 78.7 | 35% | 0.346 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 177.6 | -172.6 | 56.9 | 38.4 | 0 | 0 | 112 | P352 G353 I359 D360 | P352-Q356 PolarHBondContact O-N 3.32Å; G353-Q356 PolarHBondContact O-N 2.89Å; Q356-I359 WeakPolarHBondContact O-CB 3.47Å; Q356-I359 PolarHBondContact O-N 2.89Å; Q356-D360 VanDerWaalsContact NE2-CG 3.33Å; Q356-D360 PolarHBondContact NE2-OD2 3.48Å; Q356-D360 PolarHBondContact O-N 3.38Å |
| 357 | A | 91.9 | Very high | 82.3 | Confident | 63 Ų | 63 | 82.2 Ų | 82.2 | 52% | 0.521 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G353 E354 L355 I359 D360 S361 | G353-A357 PolarHBondContact O-N 3.28Å; E354-A357 PolarHBondContact O-N 3.43Å; L355-A357 VanDerWaalsContact C-N 3.32Å; L355-A357 PolarHBondContact O-N 3.48Å; A357-I359 VanDerWaalsContact C-N 3.34Å; A357-D360 PolarHBondContact O-N 3Å; A357-S361 VanDerWaalsContact O-CB 3.27Å; A357-S361 WeakPolarHBondContact O-CB 3.42Å; A357-S361 PolarHBondContact O-N 3.34Å |
| 358 | A | 90.2 | Very high | 80.7 | Confident | 4 Ų | 4 | 83.6 Ų | 83.6 | 3% | 0.033 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V303 I306 N307 E354 L355 N362 | V303-A358 HydrophobicContact CG1-CB 3.78Å; I306-A358 HydrophobicContact CB-CB 4.35Å; I306-A358 HydrophobicContact CG2-CB 3.93Å; N307-A358 WeakPolarHBondContact OD1-CB 3.48Å; E354-A358 WeakPolarHBondContact O-CB 3.49Å; E354-A358 PolarHBondContact O-N 3.41Å; L355-A358 PolarHBondContact O-N 2.83Å; A358-N362 WeakPolarHBondContact O-CB 3.36Å; A358-N362 PolarHBondContact O-N 3.35Å |
| 359 | I | 90.6 | Very high | 79.2 | Confident | 15 Ų | 15 | 86.8 Ų | 86.8 | 8% | 0.077 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 175.5 | -72.6 | 170.6 | 0 | 0 | 0 | 111.3 | I306 R332 M336 L355 Q356 A357 N362 R363 | I306-I359 HydrophobicContact CD1-CG1 4.26Å; R332-I359 VanDerWaalsContact NH2-CG2 3.31Å; M336-I359 HydrophobicContact SD-CD1 4.43Å; L355-I359 HydrophobicContact CD1-CD1 3.82Å; L355-I359 HydrophobicContact CD1-CG1 4.15Å; L355-I359 HydrophobicContact CG-CD1 3.76Å; L355-I359 HydrophobicContact CG-CG1 4.49Å; L355-I359 WeakPolarHBondContact O-CB 3.31Å; L355-I359 WeakPolarHBondContact O-CD1 3.41Å; L355-I359 WeakPolarHBondContact O-CG1 3.31Å; L355-I359 PolarHBondContact O-N 2.89Å; Q356-I359 WeakPolarHBondContact O-CB 3.47Å; Q356-I359 PolarHBondContact O-N 2.89Å; A357-I359 VanDerWaalsContact C-N 3.34Å; I359-N362 PolarHBondContact O-N 3.01Å; I359-R363 WeakPolarHBondContact O-CB 3.47Å; I359-R363 PolarHBondContact O-N 3.41Å |
| 360 | D | 89.9 | Confident | 77.5 | Confident | 67 Ų | 67 | 88 Ų | 88 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.8 | -31.6 | -177.5 | -76.2 | -36.2 | 0 | 0 | 0 | 112.6 | Q356 A357 R363 R364 | Q356-D360 VanDerWaalsContact NE2-CG 3.33Å; Q356-D360 PolarHBondContact NE2-OD2 3.48Å; Q356-D360 PolarHBondContact O-N 3.38Å; A357-D360 PolarHBondContact O-N 3Å; D360-R363 PolarHBondContact O-N 2.81Å; D360-R364 WeakPolarHBondContact O-CB 3.37Å; D360-R364 PolarHBondContact O-N 3.37Å |
| 361 | S | 89.3 | Confident | 76 | Confident | 78 Ų | 78 | 96.6 Ų | 96.6 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56.1 | -51.5 | 167.2 | -178.2 | 0 | 0 | 0 | 0 | 111 | A357 R363 R364 E365 | A357-S361 VanDerWaalsContact O-CB 3.27Å; A357-S361 WeakPolarHBondContact O-CB 3.42Å; A357-S361 PolarHBondContact O-N 3.34Å; S361-R363 VanDerWaalsContact C-N 3.31Å; S361-R363 PolarHBondContact O-N 3.11Å; S361-R364 PolarHBondContact O-N 2.85Å; S361-R364 VanDerWaalsContact O-N 3.09Å; S361-E365 PolarHBondContact O-N 2.85Å |
| 362 | N | 84.7 | Confident | 74.4 | Confident | 60 Ų | 60 | 99.8 Ų | 99.8 | 32% | 0.321 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 178.7 | -155.4 | -81.6 | 0 | 0 | 0 | 112.1 | I306 A358 I359 R364 | I306-N362 HydrophobicContact CG2-CB 4.22Å; I306-N362 PolarHBondContact O-ND2 2.89Å; A358-N362 WeakPolarHBondContact O-CB 3.36Å; A358-N362 PolarHBondContact O-N 3.35Å; I359-N362 PolarHBondContact O-N 3.01Å; N362-R364 VanDerWaalsContact C-N 3.31Å; N362-R364 PolarHBondContact O-N 3.29Å |
| 363 | R | 83.1 | Confident | 72.4 | Confident | 197 Ų | 197 | 101.6 Ų | 101.6 | 74% | 0.743 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -28.2 | 175.1 | -169.4 | 178.6 | -174.3 | 175 | 3 | 113.5 | I359 D360 S361 | I359-R363 WeakPolarHBondContact O-CB 3.47Å; I359-R363 PolarHBondContact O-N 3.41Å; D360-R363 PolarHBondContact O-N 2.81Å; S361-R363 VanDerWaalsContact C-N 3.31Å; S361-R363 PolarHBondContact O-N 3.11Å |
| 364 | R | 67.3 | Low | 70.7 | Confident | 210 Ų | 210 | 104.2 Ų | 104.2 | 79% | 0.792 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -79.8 | -29.6 | -175.4 | -140.8 | 174.1 | -169.3 | -157 | 2.1 | 113.6 | D360 S361 N362 G366 R367 | D360-R364 WeakPolarHBondContact O-CB 3.37Å; D360-R364 PolarHBondContact O-N 3.37Å; S361-R364 PolarHBondContact O-N 2.85Å; S361-R364 VanDerWaalsContact O-N 3.09Å; N362-R364 VanDerWaalsContact C-N 3.31Å; N362-R364 PolarHBondContact O-N 3.29Å; R364-G366 VanDerWaalsContact C-N 3.31Å; R364-G366 PolarHBondContact O-N 3.43Å; R364-R367 PolarHBondContact O-N 3.28Å; R364-R367 VanDerWaalsContact O-N 3.11Å |
| 365 | E | 64.1 | Low | 69 | Low | 110 Ų | 110 | 106.9 Ų | 106.9 | 51% | 0.514 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -53.8 | -45.7 | 179.6 | -167.3 | 78.8 | -113.7 | 0 | 0 | 112.2 | K309 S361 R367 R368 | K309-E365 IonicContact NZ-OE2 3.8Å; K309-E365 PolarHBondContact NZ-OE2 3.23Å; S361-E365 PolarHBondContact O-N 2.85Å; E365-R367 PolarHBondContact O-N 3.26Å; E365-R368 PolarHBondContact O-N 2.81Å |
| 366 | G | 59.4 | Low | 67 | Low | 74 Ų | 74 | 115.4 Ų | 115.4 | 76% | 0.763 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 5.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R364 | R364-G366 VanDerWaalsContact C-N 3.31Å; R364-G366 PolarHBondContact O-N 3.43Å |
| 367 | R | 58.7 | Low | 64.5 | Low | 229 Ų | 229 | 122.9 Ų | 122.9 | 86% | 0.864 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.5 | 26.4 | 177.3 | -70.4 | -168 | 174.1 | -131.8 | -0.3 | 113.6 | R364 E365 P369 | R364-R367 PolarHBondContact O-N 3.28Å; R364-R367 VanDerWaalsContact O-N 3.11Å; E365-R367 PolarHBondContact O-N 3.26Å; R367-P369 WeakPolarHBondContact O-CD 3.47Å |
| 368 | R | 48.5 | Very low | 62.1 | Low | 141 Ų | 141 | 129 Ų | 129 | 53% | 0.532 | 64% | 0.644 | S | S | . | * | trans | -82.9 | 123.4 | 173.2 | -166.8 | 173.6 | -172.7 | -175.2 | 0.2 | 111.5 | E365 S370 Y371 | E365-R368 PolarHBondContact O-N 2.81Å; R368-S370 PolarHBondContact O-N 3.27Å; R368-Y371 PolarHBondContact NH2-OH 2.65Å | ||
| 369 | P | 51.4 | Low | 59.5 | Low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | trans | -66.9 | 111.9 | 162.7 | -16.3 | 31.5 | 0 | 0 | 0 | 108.9 | R367 Y371 | R367-P369 WeakPolarHBondContact O-CD 3.47Å; P369-Y371 PolarHBondContact O-N 3Å; P369-Y371 VanDerWaalsContact O-N 3.16Å | ||
| 370 | S | 45.7 | Very low | 57.2 | Low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | -73.4 | 104.8 | -175 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | R368 S372 | R368-S370 PolarHBondContact O-N 3.27Å; S370-S372 PolarHBondContact O-N 2.78Å | ||
| 371 | Y | 50.7 | Low | 54.5 | Low | 190 Ų | 190 | 140.6 Ų | 140.6 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 41.7 | 11.3 | 153.3 | -82 | -75.3 | 0 | 0 | 0 | 121.7 | R368 P369 | R368-Y371 PolarHBondContact NH2-OH 2.65Å; P369-Y371 PolarHBondContact O-N 3Å; P369-Y371 VanDerWaalsContact O-N 3.16Å |
| 372 | S | 50.8 | Low | 52.4 | Low | 120 Ų | 120 | 142.7 Ų | 142.7 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | -106.4 | 46.6 | 176.6 | -169.4 | 0 | 0 | 0 | 0 | 112.7 | S370 | S370-S372 PolarHBondContact O-N 2.78Š| ||
| 373 | S | 45.4 | Very low | 50.3 | Low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -151.1 | 74.8 | 172 | -169 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 374 | S | 51.6 | Low | 48.2 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -148.4 | 3.5 | 174.7 | -68 | 0 | 0 | 0 | 0 | 114.7 | ||
| 375 | L | 54.4 | Low | 46.7 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -99.6 | -13.4 | 177.2 | -65.1 | 179.5 | 0 | 0 | 0 | 114.2 | ||
| 376 | F | 48.6 | Very low | 45.8 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -110.3 | 64.3 | 175.6 | -66.1 | -66.4 | 0 | 0 | 0 | 111.9 | F378 | F376-F378 PolarHBondContact O-N 3.3Š| ||
| 377 | R | 39.6 | Very low | 44.7 | Very low | 231 Ų | 231 | 141 Ų | 141 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -73.9 | 80.1 | 165 | -174.7 | -175.7 | -71 | -177.7 | -1.8 | 109.3 | S379 | R377-S379 PolarHBondContact O-N 3.32Š| ||
| 378 | F | 40.8 | Very low | 43.9 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -60.4 | 122.6 | 158.3 | -99.7 | -88.7 | 0 | 0 | 0 | 108.2 | F376 P380 | F376-F378 PolarHBondContact O-N 3.3Å; F378-P380 WeakPolarHBondContact O-CD 3.38Å | ||
| 379 | S | 35.6 | Very low | 43.4 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -91.6 | 116.3 | -177.1 | -168.2 | 0 | 0 | 0 | 0 | 110.1 | R377 S381 | R377-S379 PolarHBondContact O-N 3.32Å; S379-S381 PolarHBondContact O-N 2.95Å | ||
| 380 | P | 41.7 | Very low | 42.6 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -82.6 | 107.1 | 173.4 | 32.1 | -30.6 | 0 | 0 | 0 | 109.7 | F378 | F378-P380 WeakPolarHBondContact O-CD 3.38Š| ||
| 381 | S | 34.5 | Very low | 42.3 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -133.8 | 137.1 | 169 | -167.6 | 0 | 0 | 0 | 0 | 109 | S379 | S379-S381 PolarHBondContact O-N 2.95Š| ||
| 382 | P | 45.2 | Very low | 41.8 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -75.3 | 160.3 | -167.5 | 29.8 | -36.1 | 0 | 0 | 0 | 113.9 | ||||
| 383 | S | 40.4 | Very low | 40.9 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -79.2 | 124.5 | -175.5 | 166.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 384 | T | 37.1 | Very low | 40.5 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -148.2 | 128 | 143 | -18.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 385 | A | 36.3 | Very low | 39.8 | Very low | 87 Ų | 87 | 144.7 Ų | 144.7 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | -85.1 | 153 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 386 | P | 46.3 | Very low | 38.8 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | -146.7 | 145.3 | 106.4 | 27.8 | -7.5 | 0 | 0 | 0 | 117 | |||||
| 387 | H | 35.8 | Very low | 38 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | 57.2 | 106 | 133.2 | -58.6 | -45 | 0 | 0 | 0 | 123.5 | ||||
| 388 | I | 40.8 | Very low | 37.6 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | trans | 62.9 | 150.5 | 134.9 | 32.3 | 168.2 | 0 | 0 | 0 | 124.5 | ||||
| 389 | L | 37.9 | Very low | 37.5 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | 82.3 | 94.8 | 165.5 | -59.6 | -177.6 | 0 | 0 | 0 | 120.6 | ||||
| 390 | S | 35.2 | Very low | 37.3 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 27.3 | 113.7 | 130.4 | -51.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 391 | P | 40.3 | Very low | 37 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | trans | -75.4 | 142.4 | 158.7 | 32.1 | -33.1 | 0 | 0 | 0 | 111.5 | ||||
| 392 | P | 39.4 | Very low | 36.8 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -77 | 149.4 | -179.5 | 31.1 | -35.1 | 0 | 0 | 0 | 113 | ||||
| 393 | K | 31.2 | Very low | 36.3 | Very low | 201 Ų | 201 | 128.9 Ų | 128.9 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -97.8 | 111.9 | -179.9 | -175.6 | -163.7 | -168.3 | 78 | 0 | 109.9 | ||||
| 394 | M | 38.6 | Very low | 36 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -129.9 | 108.2 | 172.2 | -76.1 | -59.8 | -70.5 | 0 | 0 | 113.3 | ||||
| 395 | H | 35.2 | Very low | 35.8 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | 59.4 | 134.3 | 148.4 | -76.4 | -101.7 | 0 | 0 | 0 | 122.4 | ||||
| 396 | L | 34.6 | Very low | 35.7 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -111 | 162.4 | 171 | 169.9 | 66 | 0 | 0 | 0 | 108.6 | ||||
| 397 | A | 31 | Very low | 35.3 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | 101.3 | 138.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 398 | G | 32.1 | Very low | 35.1 | Very low | 64 Ų | 64 | 131.5 Ų | 131.5 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | cis | 172.8 | -171.2 | -4.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 399 | L | 39.2 | Very low | 34.5 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 99% | 0.99 | 80% | 0.803 | S | S | * | * | trans | 69.3 | 143.1 | -178.1 | -46.7 | 170.6 | 0 | 0 | 0 | 113.5 | ||||
| 400 | G | 31.2 | Very low | 34.2 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | cis | -164 | -171.6 | -2.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 401 | A | 34.4 | Very low | 34 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | trans | -62.3 | 162.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 402 | G | 31.4 | Very low | 33.4 | Very low | 60 Ų | 60 | 130.3 Ų | 130.3 | 62% | 0.619 | 81% | 0.81 | S | S | * | * | cis | 167.8 | -161.2 | 4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 403 | T | 34.9 | Very low | 33.1 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | 45.5 | 98.8 | 164.6 | 53.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 404 | S | 32.6 | Very low | 33.7 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | 77.7 | 141.7 | 71.6 | 72.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 405 | V | 33.3 | Very low | 33.2 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | 85.6 | 138.9 | 170.8 | -170.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 406 | A | 34.4 | Very low | 33.8 | Very low | 85 Ų | 85 | 119.6 Ų | 119.6 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | trans | -88.9 | 177.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 407 | L | 38 | Very low | 33.5 | Very low | 179 Ų | 179 | 116.2 Ų | 116.2 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | -159.9 | 178.1 | 122.6 | -106.9 | 171.2 | 0 | 0 | 0 | 112.3 | |||||
| 408 | N | 32 | Very low | 33.6 | Very low | 157 Ų | 157 | 117.8 Ų | 117.8 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -112 | 155.3 | -165.9 | -165.3 | -4.8 | 0 | 0 | 0 | 110.8 | ||||
| 409 | G | 28 | Very low | 33.4 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | 175.9 | 100.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 410 | L | 30.9 | Very low | 32.9 | Very low | 165 Ų | 165 | 121.6 Ų | 121.6 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -56.8 | 162.3 | 174.7 | -64.5 | 154.5 | 0 | 0 | 0 | 117.5 | ||||
| 411 | Q | 30.8 | Very low | 32.8 | Very low | 193 Ų | 193 | 125.7 Ų | 125.7 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | 123.1 | 154.8 | 148.8 | -71.2 | -160.9 | 19.9 | 0 | 0 | 114.9 | ||||
| 412 | A | 29.1 | Very low | 32.4 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | cis | -169.6 | 162.7 | -29 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 413 | S | 32.4 | Very low | 32.4 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -92.2 | 161.6 | 170.9 | -141.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 414 | P | 44.3 | Very low | 32.3 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | -143.3 | -177.2 | 66.2 | 34.7 | -13 | 0 | 0 | 0 | 116 | |||||
| 415 | G | 27.8 | Very low | 33.1 | Very low | 65 Ų | 65 | 131.1 Ų | 131.1 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | -87.1 | -137.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 416 | P | 48.3 | Very low | 32.9 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | cis | -148.2 | -177.8 | 9.8 | 44.6 | -25.1 | 0 | 0 | 0 | 118.3 | ||||
| 417 | S | 27.1 | Very low | 32.7 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | 80.2 | 126.8 | 139.7 | -150.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 418 | L | 33.5 | Very low | 32.3 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | 151.9 | 117.4 | 115.3 | -79.6 | 176.6 | 0 | 0 | 0 | 115.4 | |||||
| 419 | K | 28.4 | Very low | 32.3 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 60.9 | 158.6 | 136.6 | -67 | 178.2 | -175.7 | 170.6 | 0 | 121 | ||||
| 420 | K | 28.7 | Very low | 32.4 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | cis | 179.4 | 132.6 | -21.1 | 173.7 | -175.7 | 172.5 | -161.7 | 0 | 110.4 | ||||
| 421 | E | 27.7 | Very low | 32.5 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | 57.7 | 165.5 | 162.7 | -74.1 | 166.9 | -159 | 0 | 0 | 118.4 | ||||
| 422 | D | 27.5 | Very low | 33.8 | Very low | 132 Ų | 132 | 129 Ų | 129 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | cis | -166.6 | 169.2 | -35.6 | -170.6 | 18.3 | 0 | 0 | 0 | 109.8 | ||||
| 423 | L | 31.6 | Very low | 34.7 | Very low | 148 Ų | 148 | 131 Ų | 131 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | 73.5 | 160.6 | 163.3 | -69.4 | 145.8 | 0 | 0 | 0 | 121.1 | ||||
| 424 | T | 32.7 | Very low | 34.9 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -127 | -174.9 | -174 | 60.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 425 | P | 47.8 | Very low | 34.2 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | cis | -147.2 | 177 | 10.7 | 44.8 | -24.5 | 0 | 0 | 0 | 119.7 | ||||
| 426 | A | 30.4 | Very low | 34.5 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | 63.1 | 142.4 | 145.4 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 427 | I | 29.7 | Very low | 33.8 | Very low | 154 Ų | 154 | 136 Ų | 136 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | 159 | 127.5 | 125.3 | -83 | 171.3 | 0 | 0 | 0 | 114.5 | |||||
| 428 | M | 28.9 | Very low | 34.1 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | 40.4 | 110.6 | 153 | -62.8 | -178.7 | -177.8 | 0 | 0 | 125 | ||||
| 429 | A | 32.1 | Very low | 33.9 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | 32.3 | 133.2 | 114.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 430 | A | 30.2 | Very low | 34.3 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -144 | 163 | 153.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 431 | R | 33.7 | Very low | 34.7 | Very low | 237 Ų | 237 | 137 Ų | 137 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -120 | -148.5 | -178.5 | -61.4 | 176 | 60.7 | -158.6 | -0.3 | 112.8 | ||||
| 432 | P | 57.2 | Low | 35.7 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 63% | 0.63 | 80% | 0.798 | S | S | * | * | -116.3 | -159.5 | -129.2 | 36.4 | -12.7 | 0 | 0 | 0 | 112.8 | |||||
| 433 | P | 48.4 | Very low | 36.6 | Very low | 130 Ų | 130 | 139 Ų | 139 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | -145.1 | -162.7 | 86.8 | 38 | -18.7 | 0 | 0 | 0 | 115 | |||||
| 434 | L | 37 | Very low | 37.2 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -121.1 | 150.9 | -164.4 | -66.4 | 161.1 | 0 | 0 | 0 | 113.7 | ||||
| 435 | A | 30 | Very low | 37.9 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -167.9 | 152.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 436 | L | 34.2 | Very low | 37.9 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | cis | -166 | 153.9 | -21.9 | -113.3 | 176.6 | 0 | 0 | 0 | 108.5 | ||||
| 437 | S | 33.1 | Very low | 38.8 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 61 | 164 | 167.3 | -91.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 438 | L | 33.8 | Very low | 39.7 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | cis | -172.1 | 130.1 | -37 | 170.3 | 63.8 | 0 | 0 | 0 | 105.8 | ||||
| 439 | G | 29.7 | Very low | 40.5 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 160.3 | 88.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q441 | G439-Q441 PolarHBondContact O-N 3.11Š| ||
| 440 | Q | 35.4 | Very low | 41.3 | Very low | 179 Ų | 179 | 129.8 Ų | 129.8 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | -12.2 | 114.2 | 150.7 | 175.5 | -178.2 | -8.8 | 0 | 0 | 117.7 | ||||
| 441 | Q | 38.1 | Very low | 42.4 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | -171.4 | 147.2 | 106.2 | -161.7 | 87.5 | -30.2 | 0 | 0 | 109 | G439 | G439-Q441 PolarHBondContact O-N 3.11Š| |||
| 442 | Q | 49.2 | Very low | 43.1 | Very low | 183 Ų | 183 | 123 Ų | 123 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | -89.6 | -178.9 | 178.1 | -69.4 | 168.9 | -34.2 | 0 | 0 | 112.2 | ||||
| 443 | V | 45.6 | Very low | 43.1 | Very low | 149 Ų | 149 | 124.9 Ų | 124.9 | 90% | 0.903 | 73% | 0.734 | S | S | * | * | trans | 79.9 | 65 | 176.5 | -162.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 444 | A | 43.6 | Very low | 43.2 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -144.6 | 9.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 445 | G | 47.3 | Very low | 43.7 | Very low | 71 Ų | 71 | 122.5 Ų | 122.5 | 73% | 0.732 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -78.9 | -26.7 | -164.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 446 | L | 48.8 | Very low | 44.7 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 82% | 0.817 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -86.3 | -26.2 | -169.1 | -73.8 | 165.7 | 0 | 0 | 0 | 114.4 | R448 A449 | L446-R448 VanDerWaalsContact C-N 3.25Å; L446-R448 PolarHBondContact O-N 3.21Å; L446-A449 PolarHBondContact O-N 2.97Å |
| 447 | A | 49.7 | Very low | 45.6 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 60% | 0.603 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -64.3 | -26.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T451 | A447-T451 PolarHBondContact O-N 2.79Å; A447-T451 PolarHBondContact O-OG1 2.74Å |
| 448 | R | 47.2 | Very low | 46.4 | Very low | 214 Ų | 214 | 126.2 Ų | 126.2 | 81% | 0.808 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -84.5 | -14 | -175.3 | -142 | 171.7 | -168 | 140.9 | 2.9 | 114.3 | L446 T451 | L446-R448 VanDerWaalsContact C-N 3.25Å; L446-R448 PolarHBondContact O-N 3.21Å; R448-T451 WeakPolarHBondContact CA-OG1 3.45Å; R448-T451 PolarHBondContact O-OG1 3.24Å; R448-T451 VanDerWaalsContact O-OG1 3.1Å |
| 449 | A | 46.7 | Very low | 46.9 | Very low | 57 Ų | 57 | 124.4 Ų | 124.4 | 47% | 0.471 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -79.8 | -52.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L446 T451 L452 E453 | L446-A449 PolarHBondContact O-N 2.97Å; A449-T451 PolarHBondContact O-N 2.99Å; A449-T451 VanDerWaalsContact O-N 3.15Å; A449-L452 PolarHBondContact O-N 3.15Å; A449-E453 PolarHBondContact O-N 2.96Å |
| 450 | A | 47.8 | Very low | 47.6 | Very low | 52 Ų | 52 | 127.2 Ų | 127.2 | 43% | 0.43 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -56.5 | -33.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E453 Q454 | A450-E453 PolarHBondContact O-N 3.05Å; A450-Q454 WeakPolarHBondContact O-CB 3.4Å; A450-Q454 WeakPolarHBondContact O-CG 3.41Å; A450-Q454 PolarHBondContact O-N 3.31Å |
| 451 | T | 52.9 | Low | 48.3 | Very low | 71 Ų | 71 | 122.8 Ų | 122.8 | 44% | 0.436 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67.2 | -33.4 | 173.8 | 47.4 | 0 | 0 | 0 | 0 | 113.8 | A447 R448 A449 L455 | A447-T451 PolarHBondContact O-N 2.79Å; A447-T451 PolarHBondContact O-OG1 2.74Å; R448-T451 WeakPolarHBondContact CA-OG1 3.45Å; R448-T451 PolarHBondContact O-OG1 3.24Å; R448-T451 VanDerWaalsContact O-OG1 3.1Å; A449-T451 PolarHBondContact O-N 2.99Å; A449-T451 VanDerWaalsContact O-N 3.15Å; T451-L455 WeakPolarHBondContact O-CD1 3.49Å; T451-L455 PolarHBondContact O-N 2.91Å |
| 452 | L | 49.3 | Very low | 48.6 | Very low | 125 Ų | 125 | 119.9 Ų | 119.9 | 65% | 0.654 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.7 | -35.5 | 173.8 | -88.4 | 167.1 | 0 | 0 | 0 | 111.2 | A449 L455 R456 | A449-L452 PolarHBondContact O-N 3.15Å; L452-L455 PolarHBondContact O-N 3.45Å; L452-R456 WeakPolarHBondContact O-CB 3.34Å; L452-R456 PolarHBondContact O-N 3.49Å |
| 453 | E | 56.3 | Low | 48.4 | Very low | 135 Ų | 135 | 114.5 Ų | 114.5 | 63% | 0.631 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.1 | -44.4 | 175.1 | -145 | 167.6 | 143.4 | 0 | 0 | 111.4 | A449 A450 L455 R456 E457 | A449-E453 PolarHBondContact O-N 2.96Å; A450-E453 PolarHBondContact O-N 3.05Å; E453-L455 VanDerWaalsContact C-N 3.31Å; E453-L455 PolarHBondContact O-N 2.82Å; E453-R456 PolarHBondContact O-N 2.85Å; E453-R456 VanDerWaalsContact O-N 3.1Å; E453-E457 WeakPolarHBondContact O-CB 3.26Å; E453-E457 PolarHBondContact O-N 2.79Å |
| 454 | Q | 51.9 | Low | 48.2 | Very low | 130 Ų | 130 | 109.9 Ų | 109.9 | 61% | 0.607 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.2 | -25.1 | 173.3 | -77.5 | -165.7 | -28.7 | 0 | 0 | 114.6 | A450 K458 | A450-Q454 WeakPolarHBondContact O-CB 3.4Å; A450-Q454 WeakPolarHBondContact O-CG 3.41Å; A450-Q454 PolarHBondContact O-N 3.31Å; Q454-K458 WeakPolarHBondContact O-CB 3.49Å; Q454-K458 PolarHBondContact O-N 3.5Å |
| 455 | L | 48.2 | Very low | 48.4 | Very low | 119 Ų | 119 | 109.5 Ų | 109.5 | 62% | 0.623 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78.6 | -33.7 | 169.9 | -96 | 82.6 | 0 | 0 | 0 | 111.7 | T451 L452 E453 L459 | T451-L455 WeakPolarHBondContact O-CD1 3.49Å; T451-L455 PolarHBondContact O-N 2.91Å; L452-L455 PolarHBondContact O-N 3.45Å; E453-L455 VanDerWaalsContact C-N 3.31Å; E453-L455 PolarHBondContact O-N 2.82Å; L455-L459 PolarHBondContact O-N 3.34Å |
| 456 | R | 50.6 | Low | 48.2 | Very low | 169 Ų | 169 | 110.6 Ų | 110.6 | 64% | 0.638 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70 | -51.2 | 177 | -179.7 | 175.3 | -179.6 | 159.1 | 4.8 | 112.1 | L452 E453 K458 L459 E460 | L452-R456 WeakPolarHBondContact O-CB 3.34Å; L452-R456 PolarHBondContact O-N 3.49Å; E453-R456 PolarHBondContact O-N 2.85Å; E453-R456 VanDerWaalsContact O-N 3.1Å; R456-K458 PolarHBondContact O-N 3.29Å; R456-L459 WeakPolarHBondContact O-CA 3.35Å; R456-L459 WeakPolarHBondContact O-CB 3.26Å; R456-L459 PolarHBondContact O-N 2.82Å; R456-E460 WeakPolarHBondContact CG-OE2 3.28Å; R456-E460 IonicContact CZ-OE2 3.75Å; R456-E460 IonicContact NE-OE2 2.84Å; R456-E460 PolarHBondContact NE-OE2 2.82Å; R456-E460 IonicContact NH2-OE2 3.76Å; R456-E460 PolarHBondContact O-N 3.35Å |
| 457 | E | 51.9 | Low | 48.6 | Very low | 133 Ų | 133 | 104.8 Ų | 104.8 | 62% | 0.621 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -57.6 | -38.7 | 175.5 | -171.3 | -171.9 | 107.5 | 0 | 0 | 111.1 | E453 L459 E460 T461 | E453-E457 WeakPolarHBondContact O-CB 3.26Å; E453-E457 PolarHBondContact O-N 2.79Å; E457-L459 VanDerWaalsContact C-N 3.29Å; E457-L459 PolarHBondContact O-N 3.47Å; E457-E460 PolarHBondContact O-N 3.37Å; E457-T461 WeakPolarHBondContact O-CB 3.33Å; E457-T461 WeakPolarHBondContact O-CG2 3.23Å; E457-T461 PolarHBondContact O-N 3.48Å; E457-T461 PolarHBondContact O-OG1 2.91Å |
| 458 | K | 49.4 | Very low | 48.8 | Very low | 141 Ų | 141 | 106.2 Ų | 106.2 | 61% | 0.613 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.6 | -9.5 | 176.2 | -161.2 | 149.8 | 58.1 | -162.8 | 0 | 114.3 | Q454 R456 T461 S462 | Q454-K458 WeakPolarHBondContact O-CB 3.49Å; Q454-K458 PolarHBondContact O-N 3.5Å; R456-K458 PolarHBondContact O-N 3.29Å; K458-T461 WeakPolarHBondContact CA-OG1 3.35Å; K458-S462 WeakPolarHBondContact O-CB 3.33Å |
| 459 | L | 45.8 | Very low | 49.1 | Very low | 130 Ų | 130 | 104 Ų | 104 | 68% | 0.681 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -87.1 | -46.5 | 165.5 | -139 | 78.1 | 0 | 0 | 0 | 110.6 | L455 R456 E457 T461 S462 G463 | L455-L459 PolarHBondContact O-N 3.34Å; R456-L459 WeakPolarHBondContact O-CA 3.35Å; R456-L459 WeakPolarHBondContact O-CB 3.26Å; R456-L459 PolarHBondContact O-N 2.82Å; E457-L459 VanDerWaalsContact C-N 3.29Å; E457-L459 PolarHBondContact O-N 3.47Å; L459-T461 VanDerWaalsContact C-N 3.26Å; L459-T461 PolarHBondContact O-N 2.81Å; L459-S462 CarbonylContact O-C 3.55Å; L459-S462 PolarHBondContact O-N 3.49Å; L459-G463 WeakPolarHBondContact O-CA 3.49Å; L459-G463 PolarHBondContact O-N 3.19Å |
| 460 | E | 44.1 | Very low | 49.8 | Very low | 129 Ų | 129 | 109.3 Ų | 109.3 | 60% | 0.603 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.1 | -23.7 | 179.8 | -66 | -175.8 | 72.2 | 0 | 0 | 112.5 | R456 E457 | R456-E460 WeakPolarHBondContact CG-OE2 3.28Å; R456-E460 IonicContact CZ-OE2 3.75Å; R456-E460 IonicContact NE-OE2 2.84Å; R456-E460 PolarHBondContact NE-OE2 2.82Å; R456-E460 IonicContact NH2-OE2 3.76Å; R456-E460 PolarHBondContact O-N 3.35Å; E457-E460 PolarHBondContact O-N 3.37Å |
| 461 | T | 49.5 | Very low | 50.5 | Low | 87 Ų | 87 | 112.4 Ų | 112.4 | 53% | 0.534 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | -13 | 169.4 | 53.5 | 0 | 0 | 0 | 0 | 114.8 | E457 K458 L459 | E457-T461 WeakPolarHBondContact O-CB 3.33Å; E457-T461 WeakPolarHBondContact O-CG2 3.23Å; E457-T461 PolarHBondContact O-N 3.48Å; E457-T461 PolarHBondContact O-OG1 2.91Å; K458-T461 WeakPolarHBondContact CA-OG1 3.35Å; L459-T461 VanDerWaalsContact C-N 3.26Å; L459-T461 PolarHBondContact O-N 2.81Å |
| 462 | S | 45.5 | Very low | 50.6 | Low | 101 Ų | 101 | 115.7 Ų | 115.7 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -11.9 | 176.7 | -173.7 | 0 | 0 | 0 | 0 | 113.6 | K458 L459 | K458-S462 WeakPolarHBondContact O-CB 3.33Å; L459-S462 CarbonylContact O-C 3.55Å; L459-S462 PolarHBondContact O-N 3.49Å |
| 463 | G | 44.4 | Very low | 51.5 | Low | 70 Ų | 70 | 112.5 Ų | 112.5 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -116.9 | 24.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L459 | L459-G463 WeakPolarHBondContact O-CA 3.49Å; L459-G463 PolarHBondContact O-N 3.19Å |
| 464 | G | 41.8 | Very low | 52.2 | Low | 51 Ų | 51 | 114.4 Ų | 114.4 | 53% | 0.526 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -150.9 | 138.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E466 | G464-E466 PolarHBondContact O-N 2.86Š|
| 465 | G | 47.2 | Very low | 53.1 | Low | 85 Ų | 85 | 113.3 Ų | 113.3 | 88% | 0.876 | 62% | 0.615 | S | S | * | * | trans | -65.5 | 116.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G467 | G465-G467 PolarHBondContact O-N 2.88Š| ||
| 466 | E | 43.3 | Very low | 54.4 | Low | 94 Ų | 94 | 110.2 Ų | 110.2 | 44% | 0.439 | 61% | 0.607 | S | S | . | * | trans | -62.8 | 104.2 | 173.5 | -71.1 | -168.4 | 125.4 | 0 | 0 | 111.2 | G464 K471 | G464-E466 PolarHBondContact O-N 2.86Å; E466-K471 PolarHBondContact O-NZ 3.19Å | ||
| 467 | G | 56.2 | Low | 55.7 | Low | 34 Ų | 34 | 108.1 Ų | 108.1 | 35% | 0.351 | 61% | 0.605 | S | S | . | * | trans | -57.5 | 156.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G465 E469 R470 | G465-G467 PolarHBondContact O-N 2.88Å; G467-E469 PolarHBondContact O-N 3.35Å; G467-E469 VanDerWaalsContact O-N 3.15Å; G467-R470 PolarHBondContact O-N 3.08Å | ||
| 468 | P | 53.8 | Low | 57 | Low | 104 Ų | 104 | 107.5 Ų | 107.5 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.3 | -29.7 | -173.5 | 23.9 | -33.9 | 0 | 0 | 0 | 113.2 | R470 K471 M472 | P468-R470 PolarHBondContact O-N 2.83Å; P468-K471 WeakPolarHBondContact O-CB 3.31Å; P468-K471 PolarHBondContact O-N 2.91Å; P468-K471 VanDerWaalsContact O-N 3.11Å; P468-M472 PolarHBondContact O-N 3.16Å |
| 469 | E | 54.8 | Low | 58.2 | Low | 166 Ų | 166 | 107.3 Ų | 107.3 | 78% | 0.776 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -56.9 | -42.8 | 178.5 | -58.6 | -179.3 | 150.8 | 0 | 0 | 113.1 | G467 K471 M472 A473 | G467-E469 PolarHBondContact O-N 3.35Å; G467-E469 VanDerWaalsContact O-N 3.15Å; E469-K471 VanDerWaalsContact C-N 3.3Å; E469-K471 PolarHBondContact O-N 2.79Å; E469-M472 PolarHBondContact O-N 2.91Å; E469-A473 WeakPolarHBondContact O-CB 3.38Å; E469-A473 PolarHBondContact O-N 2.86Å |
| 470 | R | 62 | Low | 59.9 | Low | 170 Ų | 170 | 107 Ų | 107 | 64% | 0.642 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.2 | -29.1 | 178.5 | -72.3 | -174.5 | 178.5 | 168.6 | 0.9 | 112.5 | G467 P468 R474 | G467-R470 PolarHBondContact O-N 3.08Å; P468-R470 PolarHBondContact O-N 2.83Å; R470-R474 PolarHBondContact O-N 3.37Å |
| 471 | K | 60.9 | Low | 61.7 | Low | 116 Ų | 116 | 108.7 Ų | 108.7 | 50% | 0.504 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.7 | -38.8 | 174.1 | -70.9 | 158.4 | -178.6 | 150.1 | 0 | 111 | E466 P468 E469 L475 | E466-K471 PolarHBondContact O-NZ 3.19Å; P468-K471 WeakPolarHBondContact O-CB 3.31Å; P468-K471 PolarHBondContact O-N 2.91Å; P468-K471 VanDerWaalsContact O-N 3.11Å; E469-K471 VanDerWaalsContact C-N 3.3Å; E469-K471 PolarHBondContact O-N 2.79Å; K471-L475 WeakPolarHBondContact O-CB 3.22Å; K471-L475 PolarHBondContact O-N 2.7Å |
| 472 | M | 55.9 | Low | 63.3 | Low | 140 Ų | 140 | 109.7 Ų | 109.7 | 69% | 0.69 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.2 | -42.7 | 172.2 | -168.6 | 178.4 | -68.9 | 0 | 0 | 111.5 | P468 E469 L475 A476 | P468-M472 PolarHBondContact O-N 3.16Å; E469-M472 PolarHBondContact O-N 2.91Å; M472-L475 PolarHBondContact O-N 2.78Å; M472-A476 WeakPolarHBondContact O-CB 3.4Å; M472-A476 PolarHBondContact O-N 3.47Å |
| 473 | A | 68.4 | Low | 64.9 | Low | 59 Ų | 59 | 111.1 Ų | 111.1 | 49% | 0.488 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.5 | -48.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E469 L475 A476 E477 | E469-A473 WeakPolarHBondContact O-CB 3.38Å; E469-A473 PolarHBondContact O-N 2.86Å; A473-L475 PolarHBondContact O-N 2.87Å; A473-A476 PolarHBondContact O-N 3.39Å; A473-E477 WeakPolarHBondContact O-CB 3.47Å; A473-E477 PolarHBondContact O-N 2.83Å |
| 474 | R | 70.4 | Confident | 66.7 | Low | 175 Ų | 175 | 113.6 Ų | 113.6 | 66% | 0.66 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.1 | -34 | 175.3 | -79.8 | -166.3 | 176.4 | -163.3 | 3.3 | 113.8 | R470 E477 E478 | R470-R474 PolarHBondContact O-N 3.37Å; R474-E477 PolarHBondContact O-N 2.78Å; R474-E478 VanDerWaalsContact O-CB 3.26Å; R474-E478 WeakPolarHBondContact O-CB 3.46Å; R474-E478 PolarHBondContact O-N 2.82Å |
| 475 | L | 70.7 | Confident | 68.4 | Low | 106 Ų | 106 | 116.5 Ų | 116.5 | 56% | 0.555 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73 | -33.4 | 176.5 | -170.8 | 147.9 | 0 | 0 | 0 | 111.8 | K471 M472 A473 Q479 | K471-L475 WeakPolarHBondContact O-CB 3.22Å; K471-L475 PolarHBondContact O-N 2.7Å; M472-L475 PolarHBondContact O-N 2.78Å; A473-L475 PolarHBondContact O-N 2.87Å; L475-Q479 WeakPolarHBondContact O-CB 3.48Å; L475-Q479 PolarHBondContact O-N 3.44Å |
| 476 | A | 75.1 | Confident | 69.7 | Low | 54 Ų | 54 | 115.1 Ų | 115.1 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.2 | -42.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M472 A473 Q479 Q480 | M472-A476 WeakPolarHBondContact O-CB 3.4Å; M472-A476 PolarHBondContact O-N 3.47Å; A473-A476 PolarHBondContact O-N 3.39Å; A476-Q479 PolarHBondContact O-N 3.49Å; A476-Q480 WeakPolarHBondContact O-CB 3.32Å; A476-Q480 PolarHBondContact O-N 3.38Å |
| 477 | E | 78.6 | Confident | 71.4 | Confident | 126 Ų | 126 | 116.9 Ų | 116.9 | 59% | 0.589 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.1 | -40.9 | 173.1 | -171.8 | -173.5 | 173.9 | 0 | 0 | 111.6 | A473 R474 Q480 R481 | A473-E477 WeakPolarHBondContact O-CB 3.47Å; A473-E477 PolarHBondContact O-N 2.83Å; R474-E477 PolarHBondContact O-N 2.78Å; E477-Q480 PolarHBondContact O-N 3.16Å; E477-R481 VanDerWaalsContact O-CB 3.25Å; E477-R481 WeakPolarHBondContact O-CB 3.29Å; E477-R481 PolarHBondContact O-N 3.24Å |
| 478 | E | 79.1 | Confident | 72.3 | Confident | 120 Ų | 120 | 121.1 Ų | 121.1 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67 | -41.3 | 174.7 | -175.8 | 164.3 | -137.1 | 0 | 0 | 112 | R474 R481 L482 | R474-E478 VanDerWaalsContact O-CB 3.26Å; R474-E478 WeakPolarHBondContact O-CB 3.46Å; R474-E478 PolarHBondContact O-N 2.82Å; E478-R481 PolarHBondContact O-N 3.34Å; E478-L482 VanDerWaalsContact O-CB 3.26Å; E478-L482 WeakPolarHBondContact O-CB 3.2Å; E478-L482 PolarHBondContact O-N 2.9Å |
| 479 | Q | 75.6 | Confident | 73 | Confident | 136 Ų | 136 | 122.7 Ų | 122.7 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.5 | -43.2 | 170.1 | -92.7 | -139.2 | 85.6 | 0 | 0 | 112.3 | L475 A476 R481 L482 M483 | L475-Q479 WeakPolarHBondContact O-CB 3.48Å; L475-Q479 PolarHBondContact O-N 3.44Å; A476-Q479 PolarHBondContact O-N 3.49Å; Q479-R481 VanDerWaalsContact C-N 3.35Å; Q479-R481 PolarHBondContact O-N 3.34Å; Q479-L482 PolarHBondContact O-N 2.79Å; Q479-M483 VanDerWaalsContact O-CB 3.28Å; Q479-M483 WeakPolarHBondContact O-CB 3.25Å; Q479-M483 PolarHBondContact O-N 3.49Å |
| 480 | Q | 80 | Confident | 73.7 | Confident | 124 Ų | 124 | 119.1 Ų | 119.1 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.3 | -41.6 | 178.9 | -175.1 | 175.4 | -0.8 | 0 | 0 | 111.1 | A476 E477 M483 Q484 | A476-Q480 WeakPolarHBondContact O-CB 3.32Å; A476-Q480 PolarHBondContact O-N 3.38Å; E477-Q480 PolarHBondContact O-N 3.16Å; Q480-M483 PolarHBondContact O-N 3.32Å; Q480-Q484 WeakPolarHBondContact O-CB 3.29Å; Q480-Q484 PolarHBondContact O-N 2.94Å |
| 481 | R | 83.4 | Confident | 74.2 | Confident | 164 Ų | 164 | 115.3 Ų | 115.3 | 62% | 0.619 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.3 | -42 | 173.2 | 177.7 | 176.9 | 143.1 | -134.4 | -11.5 | 111.9 | E477 E478 Q479 Q484 Q485 | E477-R481 VanDerWaalsContact O-CB 3.25Å; E477-R481 WeakPolarHBondContact O-CB 3.29Å; E477-R481 PolarHBondContact O-N 3.24Å; E478-R481 PolarHBondContact O-N 3.34Å; Q479-R481 VanDerWaalsContact C-N 3.35Å; Q479-R481 PolarHBondContact O-N 3.34Å; R481-Q484 PolarHBondContact O-N 3.37Å; R481-Q485 VanDerWaalsContact O-CB 3.29Å; R481-Q485 WeakPolarHBondContact O-CB 3.45Å; R481-Q485 PolarHBondContact O-N 3.48Å |
| 482 | L | 82.8 | Confident | 74.6 | Confident | 108 Ų | 108 | 116 Ų | 116 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.9 | -39.3 | 176.6 | -174.6 | 63.6 | 0 | 0 | 0 | 111.5 | E478 Q479 Q485 A486 | E478-L482 VanDerWaalsContact O-CB 3.26Å; E478-L482 WeakPolarHBondContact O-CB 3.2Å; E478-L482 PolarHBondContact O-N 2.9Å; Q479-L482 PolarHBondContact O-N 2.79Å; L482-Q485 PolarHBondContact O-N 3.34Å; L482-A486 VanDerWaalsContact O-CB 3.23Å; L482-A486 WeakPolarHBondContact O-CB 3.49Å; L482-A486 PolarHBondContact O-N 2.92Å |
| 483 | M | 79.5 | Confident | 75 | Confident | 132 Ų | 132 | 111.1 Ų | 111.1 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63 | -42.1 | 172.7 | -177.3 | -179.5 | 69.8 | 0 | 0 | 111.3 | Q479 Q480 A486 F487 | Q479-M483 VanDerWaalsContact O-CB 3.28Å; Q479-M483 WeakPolarHBondContact O-CB 3.25Å; Q479-M483 PolarHBondContact O-N 3.49Å; Q480-M483 PolarHBondContact O-N 3.32Å; M483-A486 PolarHBondContact O-N 3.33Å; M483-F487 WeakPolarHBondContact O-CB 3.41Å; M483-F487 PolarHBondContact O-N 2.87Å |
| 484 | Q | 80.5 | Confident | 74.1 | Confident | 122 Ų | 122 | 113.9 Ų | 113.9 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -73.7 | -28.6 | 178 | -169.2 | 157.3 | 81.8 | 0 | 0 | 113 | Q480 R481 Q488 | Q480-Q484 WeakPolarHBondContact O-CB 3.29Å; Q480-Q484 PolarHBondContact O-N 2.94Å; R481-Q484 PolarHBondContact O-N 3.37Å; Q484-Q488 WeakPolarHBondContact O-CG 3.45Å; Q484-Q488 PolarHBondContact O-N 2.98Å; Q484-Q488 VanDerWaalsContact O-N 3.16Å; Q484-Q488 PolarHBondContact O-NE2 3.19Å |
| 485 | Q | 78.2 | Confident | 73.2 | Confident | 111 Ų | 111 | 108.5 Ų | 108.5 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.6 | -41.1 | 168.9 | -176.6 | 174.9 | -10.7 | 0 | 0 | 111.3 | R481 L482 Q488 H489 | R481-Q485 VanDerWaalsContact O-CB 3.29Å; R481-Q485 WeakPolarHBondContact O-CB 3.45Å; R481-Q485 PolarHBondContact O-N 3.48Å; L482-Q485 PolarHBondContact O-N 3.34Å; Q485-Q488 PolarHBondContact O-N 2.94Å; Q485-H489 VanDerWaalsContact O-CB 3.32Å; Q485-H489 WeakPolarHBondContact O-CB 3.31Å; Q485-H489 PolarHBondContact O-N 3.29Å |
| 486 | A | 74.6 | Confident | 72.3 | Confident | 56 Ų | 56 | 108.3 Ų | 108.3 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.3 | -39.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L482 M483 H489 N490 | L482-A486 VanDerWaalsContact O-CB 3.23Å; L482-A486 WeakPolarHBondContact O-CB 3.49Å; L482-A486 PolarHBondContact O-N 2.92Å; M483-A486 PolarHBondContact O-N 3.33Å; A486-H489 PolarHBondContact O-N 3.27Å; A486-N490 WeakPolarHBondContact O-CB 3.47Å; A486-N490 PolarHBondContact O-N 2.82Å |
| 487 | F | 78.6 | Confident | 71 | Confident | 132 Ų | 132 | 113.2 Ų | 113.2 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.4 | -48.3 | 173.4 | -179.2 | -101.6 | 0 | 0 | 0 | 111.5 | M483 H489 N490 L491 | M483-F487 WeakPolarHBondContact O-CB 3.41Å; M483-F487 PolarHBondContact O-N 2.87Å; F487-H489 PolarHBondContact O-N 2.87Å; F487-N490 PolarHBondContact O-N 3.28Å; F487-L491 WeakPolarHBondContact O-CB 3.24Å; F487-L491 PolarHBondContact O-N 3.08Å |
| 488 | Q | 76.4 | Confident | 69 | Low | 122 Ų | 122 | 114.3 Ų | 114.3 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.3 | -42.5 | 174.7 | -77.5 | 177.3 | 92.7 | 0 | 0 | 112.5 | Q484 Q485 L491 L492 | Q484-Q488 WeakPolarHBondContact O-CG 3.45Å; Q484-Q488 PolarHBondContact O-N 2.98Å; Q484-Q488 VanDerWaalsContact O-N 3.16Å; Q484-Q488 PolarHBondContact O-NE2 3.19Å; Q485-Q488 PolarHBondContact O-N 2.94Å; Q488-L491 PolarHBondContact O-N 2.84Å; Q488-L492 WeakPolarHBondContact O-CB 3.34Å; Q488-L492 PolarHBondContact O-N 2.83Å |
| 489 | H | 67.1 | Low | 67.1 | Low | 137 Ų | 137 | 113.6 Ų | 113.6 | 63% | 0.634 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.3 | -35.5 | 177.5 | -171.2 | -69.4 | 0 | 0 | 0 | 112.4 | Q485 A486 F487 L492 A493 | Q485-H489 VanDerWaalsContact O-CB 3.32Å; Q485-H489 WeakPolarHBondContact O-CB 3.31Å; Q485-H489 PolarHBondContact O-N 3.29Å; A486-H489 PolarHBondContact O-N 3.27Å; F487-H489 PolarHBondContact O-N 2.87Å; H489-L492 PolarHBondContact O-N 2.86Å; H489-A493 VanDerWaalsContact O-CB 3.29Å; H489-A493 WeakPolarHBondContact O-CB 3.39Å; H489-A493 PolarHBondContact O-N 2.87Å |
| 490 | N | 69.6 | Low | 65.3 | Low | 91 Ų | 91 | 115 Ų | 115 | 49% | 0.487 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.4 | -42.9 | 175.4 | -170.1 | -97.6 | 0 | 0 | 0 | 110.9 | A486 F487 L492 A493 M494 | A486-N490 WeakPolarHBondContact O-CB 3.47Å; A486-N490 PolarHBondContact O-N 2.82Å; F487-N490 PolarHBondContact O-N 3.28Å; N490-L492 PolarHBondContact O-N 2.75Å; N490-A493 PolarHBondContact O-N 2.8Å; N490-M494 WeakPolarHBondContact O-CG 3.34Å; N490-M494 PolarHBondContact O-N 3.06Å; N490-M494 WeakPolarHBondContact OD1-CE 3.46Å |
| 491 | L | 72 | Confident | 63.4 | Low | 90 Ų | 90 | 116.2 Ų | 116.2 | 47% | 0.471 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.3 | -40.6 | 173.5 | -173.3 | 62.9 | 0 | 0 | 0 | 112 | F487 Q488 M494 A495 | F487-L491 WeakPolarHBondContact O-CB 3.24Å; F487-L491 PolarHBondContact O-N 3.08Å; Q488-L491 PolarHBondContact O-N 2.84Å; L491-M494 PolarHBondContact O-N 3.42Å; L491-A495 PolarHBondContact O-N 2.94Å |
| 492 | L | 69.7 | Low | 61.3 | Low | 130 Ų | 130 | 115.6 Ų | 115.6 | 68% | 0.681 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.4 | -38.1 | 172.9 | -122.3 | 69.7 | 0 | 0 | 0 | 112.4 | Q488 H489 N490 A495 S496 | Q488-L492 WeakPolarHBondContact O-CB 3.34Å; Q488-L492 PolarHBondContact O-N 2.83Å; H489-L492 PolarHBondContact O-N 2.86Å; N490-L492 PolarHBondContact O-N 2.75Å; L492-A495 PolarHBondContact O-N 2.69Å; L492-S496 WeakPolarHBondContact O-CB 3.14Å; L492-S496 PolarHBondContact O-N 3.33Å |
| 493 | A | 64 | Low | 59.3 | Low | 39 Ų | 39 | 122.1 Ų | 122.1 | 32% | 0.322 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.9 | -28.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | H489 N490 Q497 | H489-A493 VanDerWaalsContact O-CB 3.29Å; H489-A493 WeakPolarHBondContact O-CB 3.39Å; H489-A493 PolarHBondContact O-N 2.87Å; N490-A493 PolarHBondContact O-N 2.8Å; A493-Q497 PolarHBondContact O-NE2 2.91Å |
| 494 | M | 50.8 | Low | 57.1 | Low | 116 Ų | 116 | 124.4 Ų | 124.4 | 57% | 0.571 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.9 | -45.6 | 168.3 | -72.3 | -176.6 | 174.7 | 0 | 0 | 111.1 | N490 L491 S496 Q497 | N490-M494 WeakPolarHBondContact O-CG 3.34Å; N490-M494 PolarHBondContact O-N 3.06Å; N490-M494 WeakPolarHBondContact OD1-CE 3.46Å; L491-M494 PolarHBondContact O-N 3.42Å; M494-S496 PolarHBondContact O-N 2.84Å; M494-Q497 PolarHBondContact O-N 2.88Å; M494-Q497 VanDerWaalsContact O-N 3.08Å |
| 495 | A | 51.1 | Low | 54.6 | Low | 63 Ų | 63 | 122.3 Ų | 122.3 | 52% | 0.521 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -60.1 | -31.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L491 L492 Q497 M498 | L491-A495 PolarHBondContact O-N 2.94Å; L492-A495 PolarHBondContact O-N 2.69Å; A495-Q497 PolarHBondContact O-N 2.7Å; A495-M498 WeakPolarHBondContact O-CG 3.34Å; A495-M498 PolarHBondContact O-N 2.9Å |
| 496 | S | 51.8 | Low | 52.4 | Low | 102 Ų | 102 | 121.6 Ų | 121.6 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -3.5 | 176.3 | -169.5 | 0 | 0 | 0 | 0 | 114.9 | L492 M494 | L492-S496 WeakPolarHBondContact O-CB 3.14Å; L492-S496 PolarHBondContact O-N 3.33Å; M494-S496 PolarHBondContact O-N 2.84Å |
| 497 | Q | 46.7 | Very low | 51.4 | Low | 157 Ų | 157 | 124.3 Ų | 124.3 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 13.3 | 177.5 | -72.9 | 178.1 | 94.6 | 0 | 0 | 113.6 | A493 M494 A495 P499 | A493-Q497 PolarHBondContact O-NE2 2.91Å; M494-Q497 PolarHBondContact O-N 2.88Å; M494-Q497 VanDerWaalsContact O-N 3.08Å; A495-Q497 PolarHBondContact O-N 2.7Å; Q497-P499 VanDerWaalsContact O-CD 3.31Å; Q497-P499 WeakPolarHBondContact O-CD 3.43Å |
| 498 | M | 37.8 | Very low | 49.1 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | trans | -73.2 | 116.2 | 172.6 | -69.1 | -70.6 | -76.8 | 0 | 0 | 111.5 | A495 M500 | A495-M498 WeakPolarHBondContact O-CG 3.34Å; A495-M498 PolarHBondContact O-N 2.9Å; M498-M500 PolarHBondContact O-N 3.41Å; M498-M500 VanDerWaalsContact O-N 3.14Å | ||
| 499 | P | 38.9 | Very low | 47.1 | Very low | 105 Ų | 105 | 126 Ų | 126 | 68% | 0.682 | 70% | 0.703 | S | S | * | * | trans | -75.9 | 104.1 | -179.9 | 29.8 | -33.7 | 0 | 0 | 0 | 111.8 | Q497 N501 | Q497-P499 VanDerWaalsContact O-CD 3.31Å; Q497-P499 WeakPolarHBondContact O-CD 3.43Å; P499-N501 PolarHBondContact O-N 2.89Å; P499-N501 PolarHBondContact O-ND2 3.26Å | ||
| 500 | M | 38.3 | Very low | 45.4 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | trans | -64.3 | 91.4 | 172.9 | -77.1 | -102.5 | -72.3 | 0 | 0 | 111.6 | M498 L502 | M498-M500 PolarHBondContact O-N 3.41Å; M498-M500 VanDerWaalsContact O-N 3.14Å; M500-L502 PolarHBondContact O-N 3.36Å | ||
| 501 | N | 38.7 | Very low | 43.7 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | -71 | 93.4 | 175.3 | -89.6 | -90.9 | 0 | 0 | 0 | 111.4 | P499 | P499-N501 PolarHBondContact O-N 2.89Å; P499-N501 PolarHBondContact O-ND2 3.26Å | ||
| 502 | L | 40.1 | Very low | 41.9 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | -86.9 | 131.6 | 160.5 | -92.9 | 73.5 | 0 | 0 | 0 | 110.1 | M500 | M500-L502 PolarHBondContact O-N 3.36Š| ||
| 503 | R | 41 | Very low | 40.6 | Very low | 245 Ų | 245 | 134.3 Ų | 134.3 | 93% | 0.925 | 75% | 0.747 | S | S | * | * | trans | -105.1 | 104.9 | -161.5 | 172.2 | -175.1 | 175.5 | 170.5 | -0.8 | 111.6 | ||||
| 504 | L | 32.9 | Very low | 39.2 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 94% | 0.942 | 77% | 0.766 | S | S | * | * | trans | -158.8 | 140.3 | 164.3 | -157.6 | 65.1 | 0 | 0 | 0 | 112.6 | ||||
| 505 | G | 29 | Very low | 38.8 | Very low | 78 Ų | 78 | 143.5 Ų | 143.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 93.7 | 145.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 506 | A | 31 | Very low | 38.5 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -143.8 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 507 | P | 54.6 | Low | 38.4 | Very low | 112 Ų | 112 | 149 Ų | 149 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -131 | 152.7 | -42.8 | 33.7 | -19.6 | 0 | 0 | 0 | 112.6 | ||||
| 508 | T | 29 | Very low | 38.8 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -161.3 | 114.3 | 151 | -3.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 509 | I | 35.8 | Very low | 40.1 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | 12.5 | 114.3 | 140.7 | -50.7 | 172.2 | 0 | 0 | 0 | 117.8 | ||||
| 510 | T | 31.4 | Very low | 41.8 | Very low | 134 Ų | 134 | 145 Ų | 145 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | -161.4 | 141.4 | 106.3 | 19.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 511 | T | 32.9 | Very low | 43.9 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -79.2 | 160 | 165 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 512 | R | 35.1 | Very low | 45.8 | Very low | 223 Ų | 223 | 138.3 Ų | 138.3 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | cis | -170.1 | 177.7 | 46.3 | -159.4 | -175.8 | 177.2 | 141 | 1.1 | 110.1 | ||||
| 513 | D | 40.8 | Very low | 47.8 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | 68.4 | 102.7 | 165.7 | -78.3 | -91 | 0 | 0 | 0 | 118 | ||||
| 514 | E | 36 | Very low | 49.6 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | -151.9 | 133.1 | 128.7 | -89.8 | -127.4 | 66.4 | 0 | 0 | 109 | Q516 | E514-Q516 PolarHBondContact OE1-NE2 2.89Å; E514-Q516 PolarHBondContact OE2-NE2 3.14Å | |||
| 515 | K | 42.6 | Very low | 51.8 | Low | 195 Ų | 195 | 122.5 Ų | 122.5 | 85% | 0.848 | 68% | 0.68 | S | S | * | * | trans | -113.6 | 54.8 | 164.3 | -166.5 | -165.2 | 173.5 | -176.5 | 0 | 108.8 | Q517 | K515-Q517 PolarHBondContact O-N 3.46Š| ||
| 516 | Q | 43.8 | Very low | 53.7 | Low | 144 Ų | 144 | 124.5 Ų | 124.5 | 67% | 0.673 | 67% | 0.673 | S | S | * | * | trans | -67.5 | 126.7 | 175.1 | -149.1 | 164.4 | 105.6 | 0 | 0 | 108.4 | E514 D518 | E514-Q516 PolarHBondContact OE1-NE2 2.89Å; E514-Q516 PolarHBondContact OE2-NE2 3.14Å; Q516-D518 PolarHBondContact O-N 2.96Å | ||
| 517 | Q | 50.1 | Low | 55.5 | Low | 135 Ų | 135 | 122 Ų | 122 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | trans | -82.5 | 107.5 | 176.4 | -69.6 | -175.9 | -72.9 | 0 | 0 | 108.2 | K515 M519 N538 | K515-Q517 PolarHBondContact O-N 3.46Å; Q517-M519 PolarHBondContact O-N 3.23Å; Q517-N538 PolarHBondContact NE2-OD1 2.86Å | ||
| 518 | D | 55.3 | Low | 56.2 | Low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 67% | 0.667 | S | S | * | * | trans | -57.4 | 122.8 | 176.2 | -114.2 | -49.7 | 0 | 0 | 0 | 110.3 | Q516 | Q516-D518 PolarHBondContact O-N 2.96Š| ||
| 519 | M | 64 | Low | 58.1 | Low | 131 Ų | 131 | 121.5 Ų | 121.5 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -134.3 | 86.2 | -178.3 | -151.9 | 175.8 | 77.6 | 0 | 0 | 108.3 | Q517 E536 V537 | Q517-M519 PolarHBondContact O-N 3.23Å; M519-E536 CarbonylContact C-O 3.55Å; M519-E536 VanDerWaalsContact CA-O 3.31Å; M519-E536 WeakPolarHBondContact CA-O 3.46Å; M519-V537 HydrophobicContact CG-CB 4.37Å; M519-V537 HydrophobicContact CG-CG1 4.24Å; M519-V537 HydrophobicContact CG-CG2 3.88Å; M519-V537 HydrophobicContact SD-CG1 4.21Å; M519-V537 HydrophobicContact SD-CG2 4.18Å |
| 520 | S | 75.1 | Confident | 60.4 | Low | 50 Ų | 50 | 115.1 Ų | 115.1 | 35% | 0.35 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.8 | 142.7 | -170.6 | 95.7 | 0 | 0 | 0 | 0 | 111 | V535 E536 | S520-V535 CarbonylContact O-C 3.49Å; S520-V535 WeakPolarHBondContact O-CA 3.18Å; S520-E536 PolarHBondContact N-O 2.97Å; S520-E536 VanDerWaalsContact N-O 3.08Å; S520-E536 PolarHBondContact O-N 3.2Å; S520-E536 WeakPolarHBondContact OG-CB 3.19Å; S520-E536 PolarHBondContact OG-OE2 2.91Å |
| 521 | L | 81.8 | Confident | 63 | Low | 114 Ų | 114 | 112.4 Ų | 112.4 | 60% | 0.597 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.6 | 178.7 | 173 | 64.9 | 0 | 0 | 0 | 109.3 | I523 V533 V535 | L521-I523 HydrophobicContact CD1-CG1 4.2Å; L521-I523 HydrophobicContact CD2-CD1 4.41Å; L521-I523 HydrophobicContact CG-CG1 4.35Å; L521-V533 HydrophobicContact CD1-CG1 3.9Å; L521-V535 HydrophobicContact CD1-CG2 3.89Å |
| 522 | S | 79.3 | Confident | 65.5 | Low | 60 Ų | 60 | 107.4 Ų | 107.4 | 42% | 0.42 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.4 | 138.3 | 173 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | S534 | S522-S534 PolarHBondContact N-O 2.82Å; S522-S534 PolarHBondContact O-N 3.3Å; S522-S534 WeakPolarHBondContact OG-CB 3.42Å; S522-S534 PolarHBondContact OG-O 3.35Å |
| 523 | I | 82.1 | Confident | 68.2 | Low | 82 Ų | 82 | 98.9 Ų | 98.9 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 121.3 | -178.7 | -57.4 | 178.9 | 0 | 0 | 0 | 107.9 | L521 I531 T532 V533 | L521-I523 HydrophobicContact CD1-CG1 4.2Å; L521-I523 HydrophobicContact CD2-CD1 4.41Å; L521-I523 HydrophobicContact CG-CG1 4.35Å; I523-I531 HydrophobicContact CG2-CG2 3.8Å; I523-T532 WeakPolarHBondContact CA-O 3.4Å; I523-V533 HydrophobicContact CG1-CG1 4.29Å; I523-V533 HydrophobicContact CG1-CG2 4.31Å; I523-V533 HydrophobicContact CG2-CG2 4.32Å |
| 524 | S | 79.4 | Confident | 70.4 | Confident | 68 Ų | 68 | 93.5 Ų | 93.5 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 126.4 | -174.7 | -66.2 | 0 | 0 | 0 | 0 | 110.1 | T532 | S524-T532 PolarHBondContact N-O 3.07Å; S524-T532 PolarHBondContact O-N 3.1Å |
| 525 | T | 78.3 | Confident | 73 | Confident | 94 Ų | 94 | 88.3 Ų | 88.3 | 58% | 0.577 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 104.6 | -177.6 | -58.4 | 0 | 0 | 0 | 0 | 110.5 | G527 I531 | T525-G527 PolarHBondContact O-N 3.43Å; T525-G527 VanDerWaalsContact O-N 3.13Å; T525-I531 HydrophobicContact CG2-CG1 4.29Å |
| 526 | N | 68.8 | Low | 75.2 | Confident | 120 Ų | 120 | 82.4 Ų | 82.4 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | trans | -88 | 77.3 | 177.8 | -79.4 | -4.3 | 0 | 0 | 0 | 110.1 | S530 | N526-S530 PolarHBondContact N-O 3.29Å; N526-S530 PolarHBondContact O-OG 2.9Å | ||
| 527 | G | 70.3 | Confident | 77.2 | Confident | 43 Ų | 43 | 77.7 Ų | 77.7 | 44% | 0.443 | 45% | 0.448 | S | S | . | . | S | Bend | trans | 75.2 | -177.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T525 A529 | T525-G527 PolarHBondContact O-N 3.43Å; T525-G527 VanDerWaalsContact O-N 3.13Å; G527-A529 PolarHBondContact O-N 2.93Å |
| 528 | N | 67.9 | Low | 78.6 | Confident | 182 Ų | 182 | 76.6 Ų | 76.6 | 97% | 0.973 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 1.8 | -165.9 | -54.6 | 69.5 | 0 | 0 | 0 | 116.3 | ||
| 529 | A | 70.3 | Confident | 79.6 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 47% | 0.471 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.8 | 1.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G527 F547 A548 | G527-A529 PolarHBondContact O-N 2.93Å; A529-F547 WeakPolarHBondContact O-CA 3.41Å; A529-A548 PolarHBondContact O-N 3.37Å |
| 530 | S | 82.2 | Confident | 80.1 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 13% | 0.133 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 143.2 | 177.3 | 75 | 0 | 0 | 0 | 0 | 114.4 | N526 L546 | N526-S530 PolarHBondContact N-O 3.29Å; N526-S530 PolarHBondContact O-OG 2.9Å; S530-L546 VanDerWaalsContact CA-O 3.24Å; S530-L546 WeakPolarHBondContact CA-O 3.48Å |
| 531 | I | 87.5 | Confident | 80.7 | Confident | 77 Ų | 77 | 72.6 Ų | 72.6 | 40% | 0.395 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.9 | 176 | -57.1 | 174.8 | 0 | 0 | 0 | 108 | I523 T525 V533 T545 L546 | I523-I531 HydrophobicContact CG2-CG2 3.8Å; T525-I531 HydrophobicContact CG2-CG1 4.29Å; I531-V533 HydrophobicContact CG2-CG2 4.24Å; I531-T545 CarbonylContact O-C 3.57Å; I531-T545 WeakPolarHBondContact O-CA 3.47Å; I531-L546 PolarHBondContact N-O 3.38Å; I531-L546 PolarHBondContact O-N 3.28Å |
| 532 | T | 86.1 | Confident | 80.8 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 16% | 0.16 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.9 | 171.9 | -58.4 | 0 | 0 | 0 | 0 | 109.4 | I523 S524 G544 T545 | I523-T532 WeakPolarHBondContact CA-O 3.4Å; S524-T532 PolarHBondContact N-O 3.07Å; S524-T532 PolarHBondContact O-N 3.1Å; T532-G544 WeakPolarHBondContact CA-O 3.37Å; T532-T545 PolarHBondContact OG1-OG1 3.15Å |
| 533 | V | 90.1 | Very high | 81.2 | Confident | 44 Ų | 44 | 75 Ų | 75 | 27% | 0.267 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.1 | 175.7 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | L521 I523 I531 V535 S543 G544 | L521-V533 HydrophobicContact CD1-CG1 3.9Å; I523-V533 HydrophobicContact CG1-CG1 4.29Å; I523-V533 HydrophobicContact CG1-CG2 4.31Å; I523-V533 HydrophobicContact CG2-CG2 4.32Å; I531-V533 HydrophobicContact CG2-CG2 4.24Å; V533-V535 HydrophobicContact CG1-CG2 4.44Å; V533-S543 CarbonylContact O-C 3.55Å; V533-S543 WeakPolarHBondContact O-CA 3.49Å; V533-G544 PolarHBondContact N-O 3.41Å; V533-G544 PolarHBondContact O-N 2.9Å |
| 534 | S | 87.3 | Confident | 81.5 | Confident | 23 Ų | 23 | 72.8 Ų | 72.8 | 16% | 0.161 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.7 | 177.9 | -61 | 0 | 0 | 0 | 0 | 110.3 | S522 Y542 S543 | S522-S534 PolarHBondContact N-O 2.82Å; S522-S534 PolarHBondContact O-N 3.3Å; S522-S534 WeakPolarHBondContact OG-CB 3.42Å; S522-S534 PolarHBondContact OG-O 3.35Å; S534-Y542 CarbonylContact C-O 3.57Å; S534-Y542 WeakPolarHBondContact CA-O 3.42Å; S534-S543 WeakPolarHBondContact OG-CB 3.5Å; S534-S543 PolarHBondContact OG-OG 3.02Å |
| 535 | V | 90.8 | Very high | 81.9 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 26% | 0.261 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.4 | 178.2 | -165.1 | 0 | 0 | 0 | 0 | 109.1 | S520 L521 V533 V537 I541 Y542 | S520-V535 CarbonylContact O-C 3.49Å; S520-V535 WeakPolarHBondContact O-CA 3.18Å; L521-V535 HydrophobicContact CD1-CG2 3.89Å; V533-V535 HydrophobicContact CG1-CG2 4.44Å; V535-V537 HydrophobicContact CG1-CG2 3.86Å; V535-I541 WeakPolarHBondContact O-CA 3.38Å; V535-Y542 PolarHBondContact N-O 3.13Å; V535-Y542 PolarHBondContact O-N 3.03Å |
| 536 | E | 88.4 | Confident | 82.2 | Confident | 72 Ų | 72 | 73.6 Ų | 73.6 | 34% | 0.336 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.3 | 170.7 | -165.5 | 177.9 | 170.6 | 0 | 0 | 109.7 | M519 S520 G539 T540 I541 | M519-E536 CarbonylContact C-O 3.55Å; M519-E536 VanDerWaalsContact CA-O 3.31Å; M519-E536 WeakPolarHBondContact CA-O 3.46Å; S520-E536 PolarHBondContact N-O 2.97Å; S520-E536 VanDerWaalsContact N-O 3.08Å; S520-E536 PolarHBondContact O-N 3.2Å; S520-E536 WeakPolarHBondContact OG-CB 3.19Å; S520-E536 PolarHBondContact OG-OE2 2.91Å; E536-G539 WeakPolarHBondContact OE1-CA 3.4Å; E536-T540 WeakPolarHBondContact CA-O 3.4Å; E536-I541 HydrophobicContact CB-CG1 4.13Å; E536-I541 HydrophobicContact CG-CG1 3.84Å |
| 537 | V | 86.3 | Confident | 82.9 | Confident | 44 Ų | 44 | 75.1 Ų | 75.1 | 27% | 0.267 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 117.2 | 178 | -169.3 | 0 | 0 | 0 | 0 | 108.1 | M519 V535 G539 T540 Y542 | M519-V537 HydrophobicContact CG-CB 4.37Å; M519-V537 HydrophobicContact CG-CG1 4.24Å; M519-V537 HydrophobicContact CG-CG2 3.88Å; M519-V537 HydrophobicContact SD-CG1 4.21Å; M519-V537 HydrophobicContact SD-CG2 4.18Å; V535-V537 HydrophobicContact CG1-CG2 3.86Å; V537-G539 VanDerWaalsContact C-N 3.27Å; V537-G539 PolarHBondContact O-N 3.27Å; V537-T540 PolarHBondContact N-O 3.26Å; V537-T540 WeakPolarHBondContact O-CB 3.17Å; V537-T540 PolarHBondContact O-N 2.9Å; V537-Y542 HydrophobicContact CB-CE2 4.35Å; V537-Y542 HydrophobicContact CG2-CD2 4.33Å; V537-Y542 HydrophobicContact CG2-CE2 4.5Å |
| 538 | N | 78.6 | Confident | 83.3 | Confident | 113 Ų | 113 | 76.7 Ų | 76.7 | 60% | 0.604 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 43.4 | -176.2 | -54.9 | -64.4 | 0 | 0 | 0 | 113.3 | Q517 T540 | Q517-N538 PolarHBondContact NE2-OD1 2.86Å; N538-T540 VanDerWaalsContact C-N 3.28Å; N538-T540 PolarHBondContact O-N 3.38Å |
| 539 | G | 77.6 | Confident | 83.4 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 60% | 0.598 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 4.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E536 V537 | E536-G539 WeakPolarHBondContact OE1-CA 3.4Å; V537-G539 VanDerWaalsContact C-N 3.27Å; V537-G539 PolarHBondContact O-N 3.27Å |
| 540 | T | 75.1 | Confident | 83 | Confident | 72 Ų | 72 | 84.2 Ų | 84.2 | 44% | 0.442 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.2 | 177.3 | -56 | 0 | 0 | 0 | 0 | 110.1 | E536 V537 N538 Y542 | E536-T540 WeakPolarHBondContact CA-O 3.4Å; V537-T540 PolarHBondContact N-O 3.26Å; V537-T540 WeakPolarHBondContact O-CB 3.17Å; V537-T540 PolarHBondContact O-N 2.9Å; N538-T540 VanDerWaalsContact C-N 3.28Å; N538-T540 PolarHBondContact O-N 3.38Å; T540-Y542 HydrophobicContact CG2-CD2 4.33Å; T540-Y542 HydrophobicContact CG2-CE1 4.48Å; T540-Y542 HydrophobicContact CG2-CE2 3.64Å; T540-Y542 WeakPolarHBondContact O-CD2 3.48Å |
| 541 | I | 86.6 | Confident | 81.4 | Confident | 113 Ų | 113 | 88.8 Ų | 88.8 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.9 | -178.4 | -56.5 | 173.7 | 0 | 0 | 0 | 110.6 | V535 E536 | V535-I541 WeakPolarHBondContact O-CA 3.38Å; E536-I541 HydrophobicContact CB-CG1 4.13Å; E536-I541 HydrophobicContact CG-CG1 3.84Å |
| 542 | Y | 84.1 | Confident | 79.4 | Confident | 149 Ų | 149 | 88.9 Ų | 88.9 | 58% | 0.584 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 111.5 | 171.9 | -63.1 | -89.4 | 0 | 0 | 0 | 109.3 | S534 V535 V537 T540 | S534-Y542 CarbonylContact C-O 3.57Å; S534-Y542 WeakPolarHBondContact CA-O 3.42Å; V535-Y542 PolarHBondContact N-O 3.13Å; V535-Y542 PolarHBondContact O-N 3.03Å; V537-Y542 HydrophobicContact CB-CE2 4.35Å; V537-Y542 HydrophobicContact CG2-CD2 4.33Å; V537-Y542 HydrophobicContact CG2-CE2 4.5Å; T540-Y542 HydrophobicContact CG2-CD2 4.33Å; T540-Y542 HydrophobicContact CG2-CE1 4.48Å; T540-Y542 HydrophobicContact CG2-CE2 3.64Å; T540-Y542 WeakPolarHBondContact O-CD2 3.48Å |
| 543 | S | 88.2 | Confident | 77.1 | Confident | 76 Ų | 76 | 91.4 Ų | 91.4 | 53% | 0.531 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.1 | -179.3 | -165.5 | 0 | 0 | 0 | 0 | 112.4 | V533 S534 | V533-S543 CarbonylContact O-C 3.55Å; V533-S543 WeakPolarHBondContact O-CA 3.49Å; S534-S543 WeakPolarHBondContact OG-CB 3.5Å; S534-S543 PolarHBondContact OG-OG 3.02Å |
| 544 | G | 88.8 | Confident | 74.5 | Confident | 35 Ų | 35 | 94 Ų | 94 | 36% | 0.361 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -145.1 | 139 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T532 V533 | T532-G544 WeakPolarHBondContact CA-O 3.37Å; V533-G544 PolarHBondContact N-O 3.41Å; V533-G544 PolarHBondContact O-N 2.9Å |
| 545 | T | 87.6 | Confident | 72.7 | Confident | 59 Ų | 59 | 99.1 Ų | 99.1 | 36% | 0.362 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.7 | 178.3 | -59 | 0 | 0 | 0 | 0 | 110.4 | I531 T532 F547 | I531-T545 CarbonylContact O-C 3.57Å; I531-T545 WeakPolarHBondContact O-CA 3.47Å; T532-T545 PolarHBondContact OG1-OG1 3.15Å; T545-F547 HydrophobicContact CG2-CD2 4.27Å; T545-F547 HydrophobicContact CG2-CE1 4.08Å; T545-F547 HydrophobicContact CG2-CE2 3.69Å; T545-F547 HydrophobicContact CG2-CZ 3.59Å |
| 546 | L | 84.7 | Confident | 70.1 | Confident | 120 Ų | 120 | 99.9 Ų | 99.9 | 63% | 0.628 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 134.6 | 172.4 | -74.8 | 72.1 | 0 | 0 | 0 | 108.9 | S530 I531 | S530-L546 VanDerWaalsContact CA-O 3.24Å; S530-L546 WeakPolarHBondContact CA-O 3.48Å; I531-L546 PolarHBondContact N-O 3.38Å; I531-L546 PolarHBondContact O-N 3.28Å |
| 547 | F | 81.7 | Confident | 67.8 | Low | 152 Ų | 152 | 103.1 Ų | 103.1 | 67% | 0.667 | 65% | 0.651 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 136 | 175.3 | -65 | -86.4 | 0 | 0 | 0 | 110.4 | A529 T545 Q549 | A529-F547 WeakPolarHBondContact O-CA 3.41Å; T545-F547 HydrophobicContact CG2-CD2 4.27Å; T545-F547 HydrophobicContact CG2-CE1 4.08Å; T545-F547 HydrophobicContact CG2-CE2 3.69Å; T545-F547 HydrophobicContact CG2-CZ 3.59Å; F547-Q549 PolarHBondContact O-N 3.1Å |
| 548 | A | 79.1 | Confident | 65.6 | Low | 77 Ų | 77 | 107.4 Ų | 107.4 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | trans | -72.8 | 113.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A529 K550 | A529-A548 PolarHBondContact O-N 3.37Å; A548-K550 PolarHBondContact O-N 3.45Å | ||
| 549 | Q | 70.3 | Confident | 63.5 | Low | 193 Ų | 193 | 109.4 Ų | 109.4 | 90% | 0.902 | 69% | 0.692 | S | S | * | * | trans | -72 | 117.9 | 173.3 | -74.7 | -167.9 | -12.6 | 0 | 0 | 110.8 | F547 S551 | F547-Q549 PolarHBondContact O-N 3.1Å; Q549-S551 PolarHBondContact O-N 3.34Å | ||
| 550 | K | 61.1 | Low | 61.5 | Low | 204 Ų | 204 | 111 Ų | 111 | 89% | 0.887 | 70% | 0.7 | S | S | * | * | trans | -70.9 | 115.4 | 166.2 | -177.7 | -179.7 | 179.3 | -178.3 | 0 | 108.7 | A548 G552 | A548-K550 PolarHBondContact O-N 3.45Å; K550-G552 PolarHBondContact O-N 3.2Å | ||
| 551 | S | 49.5 | Very low | 59.4 | Low | 114 Ų | 114 | 112.4 Ų | 112.4 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | trans | -60.7 | 115.6 | 178.7 | 52.5 | 0 | 0 | 0 | 0 | 111.7 | Q549 G553 | Q549-S551 PolarHBondContact O-N 3.34Å; S551-G553 PolarHBondContact O-N 3.45Å | ||
| 552 | G | 45.6 | Very low | 56.9 | Low | 80 Ų | 80 | 112.6 Ų | 112.6 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -83.2 | 108.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K550 | K550-G552 PolarHBondContact O-N 3.2Š| ||
| 553 | G | 38.6 | Very low | 54.3 | Low | 79 Ų | 79 | 110.4 Ų | 110.4 | 81% | 0.814 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 133.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S551 | S551-G553 PolarHBondContact O-N 3.45Š|
| 554 | A | 35.6 | Very low | 51.7 | Low | 97 Ų | 97 | 110.8 Ų | 110.8 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 153.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 555 | P | 47.6 | Very low | 48.9 | Very low | 131 Ų | 131 | 115 Ų | 115 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 134.6 | -165.2 | 31.1 | -35.4 | 0 | 0 | 0 | 114.4 | ||
| 556 | G | 37.5 | Very low | 46.3 | Very low | 60 Ų | 60 | 117.5 Ų | 117.5 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -94 | 159.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 557 | P | 39.8 | Very low | 43.8 | Very low | 140 Ų | 140 | 117.1 Ų | 117.1 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 137.9 | -172.7 | 29.4 | -35.2 | 0 | 0 | 0 | 112.8 | ||
| 558 | V | 39 | Very low | 42.2 | Very low | 133 Ų | 133 | 116 Ų | 116 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 136.8 | 171.5 | -70.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 559 | V | 34.6 | Very low | 40 | Very low | 155 Ų | 155 | 117.1 Ų | 117.1 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -116.5 | 129.8 | 154.9 | -73.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 560 | A | 36.8 | Very low | 38.3 | Very low | 91 Ų | 91 | 111.3 Ų | 111.3 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -122.2 | 145.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 561 | A | 31.6 | Very low | 37.7 | Very low | 103 Ų | 103 | 107.7 Ų | 107.7 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -144 | 142.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 562 | S | 33.3 | Very low | 36.9 | Very low | 116 Ų | 116 | 107 Ų | 107 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -139.2 | 146.5 | -151.3 | -49 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 563 | A | 30.3 | Very low | 36.3 | Very low | 103 Ų | 103 | 108.4 Ų | 108.4 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -166.3 | 150.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 564 | A | 32.1 | Very low | 36.1 | Very low | 85 Ų | 85 | 108.8 Ų | 108.8 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | cis | -169.8 | 169 | -24.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 565 | S | 30.5 | Very low | 35.9 | Very low | 122 Ų | 122 | 114.2 Ų | 114.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 69.8 | 141.1 | 174.7 | 75.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 566 | S | 32.9 | Very low | 35 | Very low | 113 Ų | 113 | 111.4 Ų | 111.4 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | cis | -154.4 | 143.8 | -5.9 | 48 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 567 | S | 32.1 | Very low | 34.5 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -77 | 166.8 | 171.1 | -41.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 568 | P | 47.2 | Very low | 34 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -139.4 | 171.1 | 85.4 | 36.4 | -21.8 | 0 | 0 | 0 | 113.1 | |||||
| 569 | A | 32.9 | Very low | 33.5 | Very low | 102 Ų | 102 | 114 Ų | 114 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | cis | -163.1 | 159.8 | -21.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 570 | G | 34.8 | Very low | 34.4 | Very low | 71 Ų | 71 | 112 Ų | 112 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | 166.5 | 131.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 571 | P | 49.2 | Very low | 34.1 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -92.2 | 167.7 | 179 | 37.6 | -35.4 | 0 | 0 | 0 | 112.5 | ||||
| 572 | S | 32.2 | Very low | 34 | Very low | 99 Ų | 99 | 115.3 Ų | 115.3 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | cis | -174 | 173.4 | -18.2 | 55.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 573 | S | 33.4 | Very low | 33.8 | Very low | 110 Ų | 110 | 118 Ų | 118 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 67.6 | 152.3 | 164.9 | 78.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 574 | S | 34.4 | Very low | 33.6 | Very low | 88 Ų | 88 | 118.5 Ų | 118.5 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | cis | -161.5 | 159.4 | -15.3 | 31.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 575 | F | 30.8 | Very low | 33.5 | Very low | 211 Ų | 211 | 122.3 Ų | 122.3 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -12.8 | 147.7 | 162.3 | -23.1 | -68.9 | 0 | 0 | 0 | 118.8 | ||||
| 576 | G | 29.3 | Very low | 33.6 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | cis | 157.5 | -179 | -2.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 577 | F | 27.2 | Very low | 33.9 | Very low | 204 Ų | 204 | 122.3 Ų | 122.3 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | 57 | 121.2 | 156.7 | -159.2 | -117.3 | 0 | 0 | 0 | 122.5 | ||||
| 578 | S | 28.9 | Very low | 34 | Very low | 95 Ų | 95 | 123 Ų | 123 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | 85.1 | 156.3 | 145.5 | -80.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 579 | A | 29.5 | Very low | 34.2 | Very low | 89 Ų | 89 | 121.4 Ų | 121.4 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -125.3 | -167.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 580 | P | 53.2 | Low | 34.1 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -134.4 | -160.4 | -2.8 | 32.2 | -7.5 | 0 | 0 | 0 | 113.6 | ||||
| 581 | Q | 29.3 | Very low | 34.2 | Very low | 178 Ų | 178 | 121.7 Ų | 121.7 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | 82 | 107.7 | 163.3 | -58.6 | -166.5 | 7.4 | 0 | 0 | 120.2 | ||||
| 582 | A | 29.7 | Very low | 33.6 | Very low | 86 Ų | 86 | 120.9 Ų | 120.9 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | 69.7 | 139.6 | 114.6 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 583 | Q | 28.7 | Very low | 33.7 | Very low | 171 Ų | 171 | 121.1 Ų | 121.1 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | 84 | 109.7 | 151.4 | -73.9 | -174.9 | 103.1 | 0 | 0 | 121.8 | ||||
| 584 | T | 27.5 | Very low | 33.9 | Very low | 114 Ų | 114 | 121 Ų | 121 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | 87.7 | 153.7 | 129.7 | 63.5 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 585 | L | 30.3 | Very low | 34 | Very low | 166 Ų | 166 | 121.9 Ų | 121.9 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | trans | 77.4 | 108.6 | 164.4 | -52.3 | -172.5 | 0 | 0 | 0 | 119.6 | ||||
| 586 | S | 32.3 | Very low | 34.3 | Very low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -65.9 | 163.6 | 156.1 | -35 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 587 | P | 38.8 | Very low | 34.4 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | -143.7 | 171.1 | 82.4 | 36.2 | -18.5 | 0 | 0 | 0 | 116.5 | |||||
| 588 | T | 33.7 | Very low | 34.7 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -94.3 | -165.3 | 174.5 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 589 | P | 52 | Low | 34.9 | Very low | 92 Ų | 92 | 117.6 Ų | 117.6 | 60% | 0.597 | 75% | 0.754 | S | S | * | * | cis | -130.2 | -169.4 | -8.3 | 43.7 | -25 | 0 | 0 | 0 | 113.4 | ||||
| 590 | S | 29.8 | Very low | 35.1 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | -177.9 | 133.7 | 87.5 | 32.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 591 | S | 37 | Very low | 34.3 | Very low | 74 Ų | 74 | 118.7 Ų | 118.7 | 52% | 0.517 | 76% | 0.764 | S | S | . | * | 33.8 | 145.8 | 126.1 | -36.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 592 | T | 36.6 | Very low | 34.5 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | cis | -167.4 | -173.8 | 14.7 | -8.3 | 0 | 0 | 0 | 0 | 108.7 | P13 | P13-T592 HydrophobicContact CG-CG2 4.11Š| ||
| 593 | S | 34.7 | Very low | 34.7 | Very low | 104 Ų | 104 | 122 Ų | 122 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -162.6 | 167.4 | 2 | 43.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 594 | S | 37.2 | Very low | 35.3 | Very low | 108 Ų | 108 | 118 Ų | 118 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -51.6 | 176 | 158.9 | 15 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 595 | S | 38.1 | Very low | 36.9 | Very low | 105 Ų | 105 | 118 Ų | 118 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | cis | -177.3 | 162.5 | -5.9 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 596 | K | 36.4 | Very low | 37.4 | Very low | 213 Ų | 213 | 114.8 Ų | 114.8 | 93% | 0.926 | 76% | 0.759 | S | S | * | * | trans | 144.9 | 148.4 | 152.8 | -86.1 | 173.9 | 179.5 | -176 | 0 | 110.6 | ||||
| 597 | G | 31.9 | Very low | 38 | Very low | 64 Ų | 64 | 114.8 Ų | 114.8 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | cis | 153.8 | 123.2 | -15.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 598 | S | 34 | Very low | 38.1 | Very low | 138 Ų | 138 | 114.1 Ų | 114.1 | 97% | 0.965 | 76% | 0.757 | S | S | * | * | trans | 59.1 | 155.5 | 168.3 | 52.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 599 | G | 31.9 | Very low | 39.3 | Very low | 77 Ų | 77 | 117.4 Ų | 117.4 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | cis | -173.4 | 177.5 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 600 | S | 34.6 | Very low | 38.6 | Very low | 126 Ų | 126 | 118.7 Ų | 118.7 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | -87 | 155.5 | -170.1 | -44.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 601 | A | 35.8 | Very low | 39.1 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | 171 | 122.7 | 120.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 602 | E | 33.3 | Very low | 39.2 | Very low | 173 Ų | 173 | 121.9 Ų | 121.9 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | 41.6 | 134.9 | 126.6 | -158 | 160.4 | 122.8 | 0 | 0 | 125.6 | |||||
| 603 | L | 35.1 | Very low | 39.4 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | 72.6 | 162.5 | 154.3 | -82.3 | 172.5 | 0 | 0 | 0 | 123 | ||||
| 604 | A | 39.8 | Very low | 39.7 | Very low | 85 Ų | 85 | 123.8 Ų | 123.8 | 70% | 0.702 | 82% | 0.821 | S | S | * | * | trans | -128.7 | -173.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 605 | P | 61.7 | Low | 39.8 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 74% | 0.74 | 83% | 0.826 | S | S | * | * | cis | -142.2 | -150 | 13.8 | 45 | -23.1 | 0 | 0 | 0 | 115.2 | ||||
| 606 | S | 41.1 | Very low | 40 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 83% | 0.832 | S | S | * | * | trans | 69.1 | 118.3 | 173.5 | 47.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 607 | S | 45.2 | Very low | 40.2 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | 64.9 | 126.7 | 68 | 77.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 608 | S | 40.5 | Very low | 40.9 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | cis | -163.2 | -177.6 | 14 | -95 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 609 | P | 58.2 | Low | 41.6 | Very low | 198 Ų | 198 | 122.9 Ų | 122.9 | 100% | 1.286 | 83% | 0.827 | S | S | * | * | cis | -111.7 | 0 | -0.8 | 41 | -30.4 | 0 | 0 | 0 | 115.3 |
Retrieved 609 of 609 residues in 138.1 ms
(Link to these results)